USER MOD reduce.3.24.130724 H: found=0, std=0, add=590, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 588 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 Single : A 7 ASN : amide:sc= -0.0251 K(o=-0.025,f=-0.81) USER MOD Single : A 9 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= -0.457 X(o=-0.46,f=-0.047) USER MOD Single : A 18 HIS : no HD1:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 HIS : no HE2:sc= -10.8! C(o=-11!,f=-12!) USER MOD Single : A 23 HIS : no HD1:sc= -0.184 X(o=-0.18,f=-0.34) USER MOD Single : A 27 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0703) USER MOD Single : A 28 SER OG : rot 180:sc= -1.28 USER MOD Single : A 31 ASN : amide:sc= -0.399 K(o=-0.4,f=-8.9!) USER MOD Single : A 33 ASN : amide:sc= -0.0317 X(o=-0.032,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 157:sc= -0.0403 (180deg=-0.25) USER MOD Single : A 38 GLN : amide:sc= -0.767 K(o=-0.77,f=-2.9!) USER MOD Single : A 39 TYR OH : rot 176:sc= -0.429 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot -32:sc= 0.767 USER MOD Single : A 49 SER OG : rot 14:sc= 0.727 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= -0.296 K(o=-0.3,f=-3.2!) USER MOD Single : A 62 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.015) USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-0.85) USER MOD Single : A 66 GLN : amide:sc= -0.142 X(o=-0.14,f=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 SER OG : rot 65:sc= 0.0319 USER MOD ----------------------------------------------------------------- ATOM 1 N ILE A 6 -16.722 -11.702 -1.215 1.00 6.51 N ATOM 2 CA ILE A 6 -16.252 -10.528 -1.942 1.00 5.95 C ATOM 3 C ILE A 6 -16.904 -9.264 -1.395 1.00 5.14 C ATOM 4 O ILE A 6 -16.334 -8.177 -1.476 1.00 5.46 O ATOM 5 CB ILE A 6 -16.566 -10.676 -3.427 1.00 6.67 C ATOM 6 CG1 ILE A 6 -15.961 -9.521 -4.222 1.00 7.44 C ATOM 7 CG2 ILE A 6 -18.071 -10.756 -3.660 1.00 6.84 C ATOM 8 CD1 ILE A 6 -14.728 -9.963 -5.005 1.00 8.10 C ATOM 0 HA ILE A 6 -15.173 -10.446 -1.811 1.00 5.95 H new ATOM 0 HB ILE A 6 -16.119 -11.607 -3.776 1.00 6.67 H new ATOM 0 HG12 ILE A 6 -16.706 -9.123 -4.910 1.00 7.44 H new ATOM 0 HG13 ILE A 6 -15.691 -8.713 -3.542 1.00 7.44 H new ATOM 0 HG21 ILE A 6 -18.269 -10.861 -4.727 1.00 6.84 H new ATOM 0 HG22 ILE A 6 -18.476 -11.617 -3.129 1.00 6.84 H new ATOM 0 HG23 ILE A 6 -18.545 -9.847 -3.291 1.00 6.84 H new ATOM 0 HD11 ILE A 6 -14.325 -9.115 -5.558 1.00 8.10 H new ATOM 0 HD12 ILE A 6 -13.973 -10.337 -4.314 1.00 8.10 H new ATOM 0 HD13 ILE A 6 -15.004 -10.753 -5.703 1.00 8.10 H new ATOM 20 N ASN A 7 -18.102 -9.413 -0.838 1.00 4.48 N ATOM 21 CA ASN A 7 -18.833 -8.284 -0.276 1.00 4.06 C ATOM 22 C ASN A 7 -18.080 -7.696 0.911 1.00 3.11 C ATOM 23 O ASN A 7 -18.117 -6.488 1.146 1.00 3.46 O ATOM 24 CB ASN A 7 -20.225 -8.728 0.164 1.00 4.82 C ATOM 25 CG ASN A 7 -21.114 -8.964 -1.050 1.00 5.60 C ATOM 26 OD1 ASN A 7 -21.095 -8.190 -2.006 1.00 5.87 O ATOM 27 ND2 ASN A 7 -21.896 -10.036 -1.011 1.00 6.34 N ATOM 0 H ASN A 7 -18.587 -10.307 -0.764 1.00 4.48 H new ATOM 0 HA ASN A 7 -18.927 -7.517 -1.045 1.00 4.06 H new ATOM 0 HB2 ASN A 7 -20.153 -9.642 0.753 1.00 4.82 H new ATOM 0 HB3 ASN A 7 -20.670 -7.968 0.807 1.00 4.82 H new ATOM 0 HD21 ASN A 7 -22.514 -10.245 -1.795 1.00 6.34 H new ATOM 0 HD22 ASN A 7 -21.879 -10.651 -0.197 1.00 6.34 H new ATOM 34 N ARG A 8 -17.397 -8.557 1.658 1.00 2.49 N ATOM 35 CA ARG A 8 -16.636 -8.124 2.823 1.00 2.11 C ATOM 36 C ARG A 8 -15.433 -7.293 2.398 1.00 1.69 C ATOM 37 O ARG A 8 -15.331 -6.873 1.246 1.00 2.38 O ATOM 38 CB ARG A 8 -16.170 -9.337 3.623 1.00 2.95 C ATOM 39 CG ARG A 8 -17.273 -10.384 3.751 1.00 3.61 C ATOM 40 CD ARG A 8 -17.158 -11.165 5.056 1.00 4.57 C ATOM 41 NE ARG A 8 -17.218 -12.600 4.796 1.00 5.39 N ATOM 42 CZ ARG A 8 -16.670 -13.483 5.625 1.00 6.19 C ATOM 43 NH1 ARG A 8 -16.652 -13.250 6.930 1.00 6.68 N ATOM 44 NH2 ARG A 8 -16.139 -14.602 5.149 1.00 6.74 N ATOM 0 H ARG A 8 -17.355 -9.560 1.477 1.00 2.49 H new ATOM 0 HA ARG A 8 -17.282 -7.508 3.448 1.00 2.11 H new ATOM 0 HB2 ARG A 8 -15.301 -9.781 3.138 1.00 2.95 H new ATOM 0 HB3 ARG A 8 -15.853 -9.019 4.616 1.00 2.95 H new ATOM 0 HG2 ARG A 8 -18.246 -9.896 3.703 1.00 3.61 H new ATOM 0 HG3 ARG A 8 -17.221 -11.073 2.908 1.00 3.61 H new ATOM 0 HD2 ARG A 8 -16.220 -10.918 5.554 1.00 4.57 H new ATOM 0 HD3 ARG A 8 -17.963 -10.877 5.732 1.00 4.57 H new ATOM 0 HE ARG A 8 -17.692 -12.934 3.957 1.00 5.39 H new ATOM 0 HH11 ARG A 8 -17.059 -12.391 7.300 1.00 6.68 H new ATOM 0 HH12 ARG A 8 -16.231 -13.929 7.564 1.00 6.68 H new ATOM 0 HH21 ARG A 8 -16.151 -14.786 4.146 1.00 6.74 H new ATOM 0 HH22 ARG A 8 -15.719 -15.279 5.786 1.00 6.74 H new ATOM 58 N MET A 9 -14.522 -7.060 3.338 1.00 1.18 N ATOM 59 CA MET A 9 -13.320 -6.279 3.069 1.00 0.82 C ATOM 60 C MET A 9 -12.615 -6.795 1.820 1.00 0.72 C ATOM 61 O MET A 9 -12.701 -7.979 1.493 1.00 0.97 O ATOM 62 CB MET A 9 -12.378 -6.351 4.267 1.00 1.08 C ATOM 63 CG MET A 9 -12.270 -7.772 4.811 1.00 1.61 C ATOM 64 SD MET A 9 -10.563 -8.293 5.052 1.00 2.27 S ATOM 65 CE MET A 9 -10.653 -8.993 6.707 1.00 2.82 C ATOM 0 H MET A 9 -14.594 -7.403 4.296 1.00 1.18 H new ATOM 0 HA MET A 9 -13.608 -5.241 2.900 1.00 0.82 H new ATOM 0 HB2 MET A 9 -11.389 -5.996 3.975 1.00 1.08 H new ATOM 0 HB3 MET A 9 -12.736 -5.686 5.053 1.00 1.08 H new ATOM 0 HG2 MET A 9 -12.803 -7.835 5.760 1.00 1.61 H new ATOM 0 HG3 MET A 9 -12.762 -8.459 4.123 1.00 1.61 H new ATOM 0 HE1 MET A 9 -9.670 -9.361 7.001 1.00 2.82 H new ATOM 0 HE2 MET A 9 -10.978 -8.226 7.409 1.00 2.82 H new ATOM 0 HE3 MET A 9 -11.366 -9.818 6.715 1.00 2.82 H new ATOM 75 N ASP A 10 -11.916 -5.902 1.125 1.00 0.49 N ATOM 76 CA ASP A 10 -11.196 -6.273 -0.089 1.00 0.42 C ATOM 77 C ASP A 10 -9.710 -5.972 0.058 1.00 0.38 C ATOM 78 O ASP A 10 -9.315 -4.818 0.226 1.00 0.54 O ATOM 79 CB ASP A 10 -11.763 -5.517 -1.286 1.00 0.44 C ATOM 80 CG ASP A 10 -12.452 -6.481 -2.243 1.00 0.86 C ATOM 81 OD1 ASP A 10 -11.763 -7.049 -3.115 1.00 1.55 O ATOM 82 OD2 ASP A 10 -13.681 -6.667 -2.118 1.00 1.53 O ATOM 0 H ASP A 10 -11.833 -4.918 1.381 1.00 0.49 H new ATOM 0 HA ASP A 10 -11.321 -7.344 -0.251 1.00 0.42 H new ATOM 0 HB2 ASP A 10 -12.473 -4.763 -0.945 1.00 0.44 H new ATOM 0 HB3 ASP A 10 -10.962 -4.990 -1.804 1.00 0.44 H new ATOM 87 N TYR A 11 -8.889 -7.016 -0.006 1.00 0.40 N ATOM 88 CA TYR A 11 -7.444 -6.863 0.122 1.00 0.37 C ATOM 89 C TYR A 11 -6.748 -7.184 -1.196 1.00 0.34 C ATOM 90 O TYR A 11 -7.363 -7.713 -2.122 1.00 0.38 O ATOM 91 CB TYR A 11 -6.918 -7.780 1.224 1.00 0.42 C ATOM 92 CG TYR A 11 -6.999 -9.243 0.864 1.00 0.48 C ATOM 93 CD1 TYR A 11 -8.201 -9.921 0.977 1.00 0.54 C ATOM 94 CD2 TYR A 11 -5.873 -9.913 0.418 1.00 0.57 C ATOM 95 CE1 TYR A 11 -8.276 -11.263 0.647 1.00 0.63 C ATOM 96 CE2 TYR A 11 -5.949 -11.256 0.087 1.00 0.67 C ATOM 97 CZ TYR A 11 -7.144 -11.924 0.204 1.00 0.67 C ATOM 98 OH TYR A 11 -7.226 -13.259 -0.125 1.00 0.78 O ATOM 0 H TYR A 11 -9.200 -7.977 -0.146 1.00 0.40 H new ATOM 0 HA TYR A 11 -7.229 -5.827 0.383 1.00 0.37 H new ATOM 0 HB2 TYR A 11 -5.881 -7.522 1.440 1.00 0.42 H new ATOM 0 HB3 TYR A 11 -7.487 -7.604 2.137 1.00 0.42 H new ATOM 0 HD1 TYR A 11 -9.082 -9.401 1.323 1.00 0.54 H new ATOM 0 HD2 TYR A 11 -4.934 -9.388 0.328 1.00 0.57 H new ATOM 0 HE1 TYR A 11 -9.214 -11.792 0.735 1.00 0.63 H new ATOM 0 HE2 TYR A 11 -5.070 -11.777 -0.263 1.00 0.67 H new ATOM 0 HH TYR A 11 -6.347 -13.578 -0.419 1.00 0.78 H new ATOM 108 N VAL A 12 -5.462 -6.859 -1.271 1.00 0.34 N ATOM 109 CA VAL A 12 -4.672 -7.107 -2.473 1.00 0.34 C ATOM 110 C VAL A 12 -3.200 -6.817 -2.210 1.00 0.35 C ATOM 111 O VAL A 12 -2.863 -5.926 -1.431 1.00 0.51 O ATOM 112 CB VAL A 12 -5.178 -6.233 -3.617 1.00 0.38 C ATOM 113 CG1 VAL A 12 -5.166 -4.761 -3.216 1.00 0.52 C ATOM 114 CG2 VAL A 12 -4.347 -6.456 -4.877 1.00 0.81 C ATOM 0 H VAL A 12 -4.942 -6.421 -0.510 1.00 0.34 H new ATOM 0 HA VAL A 12 -4.777 -8.156 -2.750 1.00 0.34 H new ATOM 0 HB VAL A 12 -6.207 -6.519 -3.834 1.00 0.38 H new ATOM 0 HG11 VAL A 12 -5.530 -4.155 -4.046 1.00 0.52 H new ATOM 0 HG12 VAL A 12 -5.811 -4.615 -2.349 1.00 0.52 H new ATOM 0 HG13 VAL A 12 -4.149 -4.460 -2.966 1.00 0.52 H new ATOM 0 HG21 VAL A 12 -4.726 -5.823 -5.679 1.00 0.81 H new ATOM 0 HG22 VAL A 12 -3.306 -6.203 -4.676 1.00 0.81 H new ATOM 0 HG23 VAL A 12 -4.415 -7.502 -5.177 1.00 0.81 H new ATOM 124 N GLU A 13 -2.324 -7.576 -2.862 1.00 0.49 N ATOM 125 CA GLU A 13 -0.886 -7.400 -2.694 1.00 0.54 C ATOM 126 C GLU A 13 -0.252 -6.895 -3.984 1.00 0.50 C ATOM 127 O GLU A 13 -0.337 -7.548 -5.025 1.00 0.60 O ATOM 128 CB GLU A 13 -0.239 -8.721 -2.285 1.00 0.67 C ATOM 129 CG GLU A 13 -1.079 -9.462 -1.250 1.00 1.05 C ATOM 130 CD GLU A 13 -0.349 -10.712 -0.776 1.00 1.43 C ATOM 131 OE1 GLU A 13 0.374 -11.325 -1.591 1.00 1.97 O ATOM 132 OE2 GLU A 13 -0.500 -11.078 0.409 1.00 2.05 O ATOM 0 H GLU A 13 -2.585 -8.318 -3.511 1.00 0.49 H new ATOM 0 HA GLU A 13 -0.721 -6.661 -1.910 1.00 0.54 H new ATOM 0 HB2 GLU A 13 -0.108 -9.350 -3.165 1.00 0.67 H new ATOM 0 HB3 GLU A 13 0.754 -8.530 -1.879 1.00 0.67 H new ATOM 0 HG2 GLU A 13 -1.284 -8.808 -0.402 1.00 1.05 H new ATOM 0 HG3 GLU A 13 -2.042 -9.736 -1.681 1.00 1.05 H new ATOM 139 N ILE A 14 0.386 -5.733 -3.910 1.00 0.48 N ATOM 140 CA ILE A 14 1.038 -5.143 -5.073 1.00 0.49 C ATOM 141 C ILE A 14 2.507 -5.544 -5.120 1.00 0.48 C ATOM 142 O ILE A 14 3.199 -5.522 -4.102 1.00 0.43 O ATOM 143 CB ILE A 14 0.915 -3.623 -5.028 1.00 0.52 C ATOM 144 CG1 ILE A 14 1.360 -3.088 -3.670 1.00 0.51 C ATOM 145 CG2 ILE A 14 -0.513 -3.184 -5.335 1.00 0.64 C ATOM 146 CD1 ILE A 14 1.898 -1.664 -3.780 1.00 0.63 C ATOM 0 H ILE A 14 0.466 -5.180 -3.056 1.00 0.48 H new ATOM 0 HA ILE A 14 0.545 -5.514 -5.972 1.00 0.49 H new ATOM 0 HB ILE A 14 1.570 -3.207 -5.794 1.00 0.52 H new ATOM 0 HG12 ILE A 14 0.519 -3.108 -2.976 1.00 0.51 H new ATOM 0 HG13 ILE A 14 2.130 -3.738 -3.256 1.00 0.51 H new ATOM 0 HG21 ILE A 14 -0.575 -2.096 -5.297 1.00 0.64 H new ATOM 0 HG22 ILE A 14 -0.794 -3.529 -6.330 1.00 0.64 H new ATOM 0 HG23 ILE A 14 -1.192 -3.612 -4.598 1.00 0.64 H new ATOM 0 HD11 ILE A 14 2.206 -1.314 -2.795 1.00 0.63 H new ATOM 0 HD12 ILE A 14 2.754 -1.650 -4.454 1.00 0.63 H new ATOM 0 HD13 ILE A 14 1.118 -1.010 -4.170 1.00 0.63 H new ATOM 158 N ASN A 15 2.978 -5.915 -6.306 1.00 0.59 N ATOM 159 CA ASN A 15 4.364 -6.326 -6.486 1.00 0.62 C ATOM 160 C ASN A 15 5.299 -5.127 -6.401 1.00 0.60 C ATOM 161 O ASN A 15 5.059 -4.094 -7.026 1.00 0.78 O ATOM 162 CB ASN A 15 4.533 -7.016 -7.836 1.00 0.79 C ATOM 163 CG ASN A 15 3.435 -8.050 -8.043 1.00 1.31 C ATOM 164 OD1 ASN A 15 2.875 -8.168 -9.134 1.00 2.20 O ATOM 165 ND2 ASN A 15 3.125 -8.803 -6.994 1.00 1.54 N ATOM 0 H ASN A 15 2.418 -5.939 -7.158 1.00 0.59 H new ATOM 0 HA ASN A 15 4.620 -7.024 -5.689 1.00 0.62 H new ATOM 0 HB2 ASN A 15 4.501 -6.277 -8.636 1.00 0.79 H new ATOM 0 HB3 ASN A 15 5.509 -7.498 -7.886 1.00 0.79 H new ATOM 0 HD21 ASN A 15 2.397 -9.513 -7.073 1.00 1.54 H new ATOM 0 HD22 ASN A 15 3.615 -8.671 -6.109 1.00 1.54 H new ATOM 172 N ILE A 16 6.371 -5.273 -5.628 1.00 0.49 N ATOM 173 CA ILE A 16 7.350 -4.204 -5.465 1.00 0.49 C ATOM 174 C ILE A 16 8.762 -4.768 -5.538 1.00 0.56 C ATOM 175 O ILE A 16 9.010 -5.903 -5.132 1.00 0.66 O ATOM 176 CB ILE A 16 7.133 -3.492 -4.134 1.00 0.48 C ATOM 177 CG1 ILE A 16 5.688 -3.011 -4.018 1.00 0.63 C ATOM 178 CG2 ILE A 16 8.101 -2.326 -3.978 1.00 0.58 C ATOM 179 CD1 ILE A 16 5.399 -1.861 -4.978 1.00 0.84 C ATOM 0 H ILE A 16 6.584 -6.122 -5.104 1.00 0.49 H new ATOM 0 HA ILE A 16 7.221 -3.483 -6.272 1.00 0.49 H new ATOM 0 HB ILE A 16 7.328 -4.202 -3.330 1.00 0.48 H new ATOM 0 HG12 ILE A 16 5.011 -3.839 -4.227 1.00 0.63 H new ATOM 0 HG13 ILE A 16 5.492 -2.690 -2.995 1.00 0.63 H new ATOM 0 HG21 ILE A 16 7.927 -1.834 -3.021 1.00 0.58 H new ATOM 0 HG22 ILE A 16 9.126 -2.696 -4.014 1.00 0.58 H new ATOM 0 HG23 ILE A 16 7.944 -1.612 -4.787 1.00 0.58 H new ATOM 0 HD11 ILE A 16 4.362 -1.546 -4.866 1.00 0.84 H new ATOM 0 HD12 ILE A 16 6.059 -1.024 -4.752 1.00 0.84 H new ATOM 0 HD13 ILE A 16 5.570 -2.191 -6.003 1.00 0.84 H new ATOM 191 N ASP A 17 9.685 -3.972 -6.068 1.00 0.63 N ATOM 192 CA ASP A 17 11.074 -4.397 -6.206 1.00 0.75 C ATOM 193 C ASP A 17 11.821 -4.261 -4.885 1.00 1.00 C ATOM 194 O ASP A 17 12.191 -5.260 -4.268 1.00 1.75 O ATOM 195 CB ASP A 17 11.764 -3.567 -7.283 1.00 1.27 C ATOM 196 CG ASP A 17 12.984 -4.305 -7.818 1.00 1.63 C ATOM 197 OD1 ASP A 17 13.884 -4.628 -7.014 1.00 2.16 O ATOM 198 OD2 ASP A 17 13.038 -4.560 -9.039 1.00 2.21 O ATOM 0 H ASP A 17 9.497 -3.029 -6.409 1.00 0.63 H new ATOM 0 HA ASP A 17 11.084 -5.448 -6.496 1.00 0.75 H new ATOM 0 HB2 ASP A 17 11.068 -3.363 -8.097 1.00 1.27 H new ATOM 0 HB3 ASP A 17 12.065 -2.603 -6.872 1.00 1.27 H new ATOM 203 N HIS A 18 12.046 -3.024 -4.455 1.00 1.27 N ATOM 204 CA HIS A 18 12.756 -2.770 -3.206 1.00 1.85 C ATOM 205 C HIS A 18 12.653 -1.303 -2.814 1.00 1.32 C ATOM 206 O HIS A 18 12.079 -0.968 -1.779 1.00 2.00 O ATOM 207 CB HIS A 18 14.221 -3.160 -3.356 1.00 2.83 C ATOM 208 CG HIS A 18 14.876 -3.476 -2.047 1.00 3.48 C ATOM 209 ND1 HIS A 18 15.311 -2.515 -1.172 1.00 4.01 N ATOM 210 CD2 HIS A 18 15.176 -4.656 -1.446 1.00 4.16 C ATOM 211 CE1 HIS A 18 15.842 -3.058 -0.102 1.00 4.73 C ATOM 212 NE2 HIS A 18 15.778 -4.372 -0.234 1.00 4.84 N ATOM 0 H HIS A 18 11.748 -2.184 -4.951 1.00 1.27 H new ATOM 0 HA HIS A 18 12.297 -3.371 -2.421 1.00 1.85 H new ATOM 0 HB2 HIS A 18 14.296 -4.027 -4.013 1.00 2.83 H new ATOM 0 HB3 HIS A 18 14.761 -2.346 -3.840 1.00 2.83 H new ATOM 0 HD2 HIS A 18 14.979 -5.641 -1.844 1.00 4.16 H new ATOM 0 HE1 HIS A 18 16.259 -2.525 0.740 1.00 4.73 H new ATOM 0 HE2 HIS A 18 16.115 -5.058 0.442 1.00 4.84 H new ATOM 220 N LYS A 19 13.216 -0.432 -3.647 1.00 0.82 N ATOM 221 CA LYS A 19 13.191 1.003 -3.388 1.00 0.84 C ATOM 222 C LYS A 19 11.762 1.525 -3.450 1.00 0.77 C ATOM 223 O LYS A 19 11.371 2.188 -4.410 1.00 1.13 O ATOM 224 CB LYS A 19 14.060 1.731 -4.409 1.00 1.47 C ATOM 225 CG LYS A 19 15.488 1.195 -4.408 1.00 1.97 C ATOM 226 CD LYS A 19 16.312 1.779 -5.552 1.00 2.72 C ATOM 227 CE LYS A 19 17.644 2.333 -5.058 1.00 3.37 C ATOM 228 NZ LYS A 19 17.637 3.823 -5.038 1.00 4.03 N ATOM 0 H LYS A 19 13.695 -0.696 -4.508 1.00 0.82 H new ATOM 0 HA LYS A 19 13.587 1.187 -2.389 1.00 0.84 H new ATOM 0 HB2 LYS A 19 13.628 1.618 -5.403 1.00 1.47 H new ATOM 0 HB3 LYS A 19 14.070 2.798 -4.186 1.00 1.47 H new ATOM 0 HG2 LYS A 19 15.965 1.433 -3.457 1.00 1.97 H new ATOM 0 HG3 LYS A 19 15.469 0.108 -4.491 1.00 1.97 H new ATOM 0 HD2 LYS A 19 16.493 1.008 -6.301 1.00 2.72 H new ATOM 0 HD3 LYS A 19 15.746 2.572 -6.041 1.00 2.72 H new ATOM 0 HE2 LYS A 19 17.849 1.955 -4.056 1.00 3.37 H new ATOM 0 HE3 LYS A 19 18.449 1.980 -5.703 1.00 3.37 H new ATOM 0 HZ1 LYS A 19 18.556 4.170 -4.698 1.00 4.03 H new ATOM 0 HZ2 LYS A 19 17.466 4.182 -5.999 1.00 4.03 H new ATOM 0 HZ3 LYS A 19 16.884 4.158 -4.404 1.00 4.03 H new ATOM 242 N PHE A 20 10.985 1.209 -2.420 1.00 0.63 N ATOM 243 CA PHE A 20 9.593 1.630 -2.347 1.00 0.61 C ATOM 244 C PHE A 20 9.196 1.913 -0.906 1.00 0.62 C ATOM 245 O PHE A 20 8.785 3.022 -0.569 1.00 0.95 O ATOM 246 CB PHE A 20 8.696 0.535 -2.910 1.00 0.62 C ATOM 247 CG PHE A 20 8.411 0.691 -4.379 1.00 0.75 C ATOM 248 CD1 PHE A 20 9.382 0.373 -5.314 1.00 1.08 C ATOM 249 CD2 PHE A 20 7.174 1.151 -4.799 1.00 0.96 C ATOM 250 CE1 PHE A 20 9.116 0.513 -6.666 1.00 1.26 C ATOM 251 CE2 PHE A 20 6.909 1.292 -6.150 1.00 1.17 C ATOM 252 CZ PHE A 20 7.879 0.974 -7.084 1.00 1.19 C ATOM 0 H PHE A 20 11.299 0.659 -1.620 1.00 0.63 H new ATOM 0 HA PHE A 20 9.475 2.542 -2.932 1.00 0.61 H new ATOM 0 HB2 PHE A 20 9.167 -0.433 -2.740 1.00 0.62 H new ATOM 0 HB3 PHE A 20 7.753 0.531 -2.363 1.00 0.62 H new ATOM 0 HD1 PHE A 20 10.348 0.015 -4.988 1.00 1.08 H new ATOM 0 HD2 PHE A 20 6.416 1.400 -4.072 1.00 0.96 H new ATOM 0 HE1 PHE A 20 9.873 0.263 -7.394 1.00 1.26 H new ATOM 0 HE2 PHE A 20 5.944 1.651 -6.476 1.00 1.17 H new ATOM 0 HZ PHE A 20 7.672 1.085 -8.138 1.00 1.19 H new ATOM 262 N HIS A 21 9.317 0.894 -0.062 1.00 0.53 N ATOM 263 CA HIS A 21 8.967 1.020 1.345 1.00 0.57 C ATOM 264 C HIS A 21 9.712 2.181 1.978 1.00 0.69 C ATOM 265 O HIS A 21 9.106 3.162 2.410 1.00 1.03 O ATOM 266 CB HIS A 21 9.309 -0.264 2.089 1.00 0.54 C ATOM 267 CG HIS A 21 8.519 -1.445 1.613 1.00 0.47 C ATOM 268 ND1 HIS A 21 8.071 -2.433 2.452 1.00 0.48 N ATOM 269 CD2 HIS A 21 8.066 -1.800 0.382 1.00 0.44 C ATOM 270 CE1 HIS A 21 7.385 -3.336 1.792 1.00 0.45 C ATOM 271 NE2 HIS A 21 7.362 -2.983 0.517 1.00 0.42 N ATOM 0 H HIS A 21 9.656 -0.030 -0.330 1.00 0.53 H new ATOM 0 HA HIS A 21 7.895 1.205 1.414 1.00 0.57 H new ATOM 0 HB2 HIS A 21 10.372 -0.474 1.971 1.00 0.54 H new ATOM 0 HB3 HIS A 21 9.129 -0.119 3.154 1.00 0.54 H new ATOM 0 HD1 HIS A 21 8.248 -2.462 3.456 1.00 0.48 H new ATOM 0 HD2 HIS A 21 8.227 -1.256 -0.537 1.00 0.44 H new ATOM 0 HE1 HIS A 21 6.920 -4.214 2.216 1.00 0.45 H new ATOM 279 N ARG A 22 11.034 2.060 2.035 1.00 0.68 N ATOM 280 CA ARG A 22 11.872 3.095 2.622 1.00 0.80 C ATOM 281 C ARG A 22 11.529 4.458 2.033 1.00 0.81 C ATOM 282 O ARG A 22 11.705 5.489 2.684 1.00 0.92 O ATOM 283 CB ARG A 22 13.344 2.779 2.377 1.00 0.93 C ATOM 284 CG ARG A 22 13.969 2.053 3.567 1.00 1.64 C ATOM 285 CD ARG A 22 15.436 1.717 3.312 1.00 2.14 C ATOM 286 NE ARG A 22 15.548 0.494 2.525 1.00 2.73 N ATOM 287 CZ ARG A 22 16.377 -0.486 2.872 1.00 3.33 C ATOM 288 NH1 ARG A 22 17.653 -0.434 2.519 1.00 3.72 N ATOM 289 NH2 ARG A 22 15.927 -1.518 3.572 1.00 3.95 N ATOM 0 H ARG A 22 11.548 1.253 1.681 1.00 0.68 H new ATOM 0 HA ARG A 22 11.687 3.122 3.696 1.00 0.80 H new ATOM 0 HB2 ARG A 22 13.441 2.163 1.483 1.00 0.93 H new ATOM 0 HB3 ARG A 22 13.889 3.704 2.187 1.00 0.93 H new ATOM 0 HG2 ARG A 22 13.887 2.676 4.458 1.00 1.64 H new ATOM 0 HG3 ARG A 22 13.414 1.136 3.767 1.00 1.64 H new ATOM 0 HD2 ARG A 22 15.918 2.541 2.786 1.00 2.14 H new ATOM 0 HD3 ARG A 22 15.958 1.595 4.261 1.00 2.14 H new ATOM 0 HE ARG A 22 14.976 0.388 1.687 1.00 2.73 H new ATOM 0 HH11 ARG A 22 18.001 0.359 1.980 1.00 3.72 H new ATOM 0 HH12 ARG A 22 18.287 -1.187 2.786 1.00 3.72 H new ATOM 0 HH21 ARG A 22 14.945 -1.560 3.844 1.00 3.95 H new ATOM 0 HH22 ARG A 22 16.563 -2.270 3.838 1.00 3.95 H new ATOM 303 N HIS A 23 11.037 4.454 0.799 1.00 0.90 N ATOM 304 CA HIS A 23 10.664 5.687 0.114 1.00 0.98 C ATOM 305 C HIS A 23 9.274 6.138 0.546 1.00 0.96 C ATOM 306 O HIS A 23 9.018 7.331 0.699 1.00 1.12 O ATOM 307 CB HIS A 23 10.694 5.470 -1.397 1.00 1.02 C ATOM 308 CG HIS A 23 11.675 6.356 -2.099 1.00 1.30 C ATOM 309 ND1 HIS A 23 11.898 7.662 -1.746 1.00 1.83 N ATOM 310 CD2 HIS A 23 12.507 6.131 -3.148 1.00 1.56 C ATOM 311 CE1 HIS A 23 12.805 8.210 -2.521 1.00 2.07 C ATOM 312 NE2 HIS A 23 13.202 7.300 -3.395 1.00 1.86 N ATOM 0 H HIS A 23 10.887 3.607 0.251 1.00 0.90 H new ATOM 0 HA HIS A 23 11.380 6.464 0.380 1.00 0.98 H new ATOM 0 HB2 HIS A 23 10.942 4.429 -1.603 1.00 1.02 H new ATOM 0 HB3 HIS A 23 9.698 5.647 -1.803 1.00 1.02 H new ATOM 0 HD2 HIS A 23 12.608 5.204 -3.692 1.00 1.56 H new ATOM 0 HE1 HIS A 23 13.164 9.226 -2.456 1.00 2.07 H new ATOM 0 HE2 HIS A 23 13.901 7.437 -4.125 1.00 1.86 H new ATOM 320 N LEU A 24 8.378 5.174 0.738 1.00 0.86 N ATOM 321 CA LEU A 24 7.013 5.471 1.150 1.00 0.87 C ATOM 322 C LEU A 24 6.964 5.834 2.627 1.00 0.97 C ATOM 323 O LEU A 24 6.496 6.911 2.996 1.00 1.16 O ATOM 324 CB LEU A 24 6.113 4.268 0.883 1.00 0.73 C ATOM 325 CG LEU A 24 5.829 4.098 -0.606 1.00 0.76 C ATOM 326 CD1 LEU A 24 6.172 2.683 -1.062 1.00 0.72 C ATOM 327 CD2 LEU A 24 4.373 4.428 -0.917 1.00 1.25 C ATOM 0 H LEU A 24 8.574 4.181 0.614 1.00 0.86 H new ATOM 0 HA LEU A 24 6.657 6.323 0.571 1.00 0.87 H new ATOM 0 HB2 LEU A 24 6.587 3.366 1.269 1.00 0.73 H new ATOM 0 HB3 LEU A 24 5.173 4.389 1.422 1.00 0.73 H new ATOM 0 HG LEU A 24 6.461 4.795 -1.156 1.00 0.76 H new ATOM 0 HD11 LEU A 24 5.962 2.583 -2.127 1.00 0.72 H new ATOM 0 HD12 LEU A 24 7.229 2.488 -0.881 1.00 0.72 H new ATOM 0 HD13 LEU A 24 5.570 1.965 -0.505 1.00 0.72 H new ATOM 0 HD21 LEU A 24 4.191 4.301 -1.984 1.00 1.25 H new ATOM 0 HD22 LEU A 24 3.720 3.760 -0.355 1.00 1.25 H new ATOM 0 HD23 LEU A 24 4.165 5.460 -0.634 1.00 1.25 H new ATOM 339 N ILE A 25 7.448 4.930 3.473 1.00 0.92 N ATOM 340 CA ILE A 25 7.456 5.158 4.911 1.00 1.10 C ATOM 341 C ILE A 25 8.107 6.498 5.241 1.00 1.41 C ATOM 342 O ILE A 25 7.812 7.106 6.269 1.00 1.91 O ATOM 343 CB ILE A 25 8.185 4.016 5.619 1.00 0.94 C ATOM 344 CG1 ILE A 25 9.682 4.030 5.321 1.00 0.90 C ATOM 345 CG2 ILE A 25 7.590 2.668 5.229 1.00 1.06 C ATOM 346 CD1 ILE A 25 10.479 3.539 6.523 1.00 0.91 C ATOM 0 H ILE A 25 7.840 4.033 3.186 1.00 0.92 H new ATOM 0 HA ILE A 25 6.425 5.187 5.265 1.00 1.10 H new ATOM 0 HB ILE A 25 8.052 4.166 6.690 1.00 0.94 H new ATOM 0 HG12 ILE A 25 9.891 3.398 4.458 1.00 0.90 H new ATOM 0 HG13 ILE A 25 9.996 5.041 5.060 1.00 0.90 H new ATOM 0 HG21 ILE A 25 8.125 1.871 5.745 1.00 1.06 H new ATOM 0 HG22 ILE A 25 6.537 2.640 5.510 1.00 1.06 H new ATOM 0 HG23 ILE A 25 7.681 2.528 4.152 1.00 1.06 H new ATOM 0 HD11 ILE A 25 11.543 3.558 6.287 1.00 0.91 H new ATOM 0 HD12 ILE A 25 10.286 4.188 7.377 1.00 0.91 H new ATOM 0 HD13 ILE A 25 10.180 2.520 6.766 1.00 0.91 H new ATOM 358 N GLY A 26 8.991 6.954 4.359 1.00 1.49 N ATOM 359 CA GLY A 26 9.683 8.224 4.553 1.00 1.87 C ATOM 360 C GLY A 26 10.306 8.304 5.940 1.00 1.82 C ATOM 361 O GLY A 26 11.203 7.529 6.274 1.00 2.29 O ATOM 0 H GLY A 26 9.245 6.463 3.502 1.00 1.49 H new ATOM 0 HA2 GLY A 26 10.459 8.338 3.796 1.00 1.87 H new ATOM 0 HA3 GLY A 26 8.982 9.048 4.418 1.00 1.87 H new ATOM 365 N LYS A 27 9.827 9.246 6.746 1.00 1.86 N ATOM 366 CA LYS A 27 10.338 9.429 8.099 1.00 1.91 C ATOM 367 C LYS A 27 9.865 8.300 9.006 1.00 1.62 C ATOM 368 O LYS A 27 8.887 8.446 9.738 1.00 2.38 O ATOM 369 CB LYS A 27 9.873 10.772 8.655 1.00 2.21 C ATOM 370 CG LYS A 27 10.638 11.936 8.029 1.00 2.65 C ATOM 371 CD LYS A 27 11.579 12.596 9.033 1.00 3.30 C ATOM 372 CE LYS A 27 12.918 12.958 8.396 1.00 3.80 C ATOM 373 NZ LYS A 27 12.735 13.858 7.223 1.00 4.51 N ATOM 0 H LYS A 27 9.085 9.895 6.485 1.00 1.86 H new ATOM 0 HA LYS A 27 11.427 9.414 8.063 1.00 1.91 H new ATOM 0 HB2 LYS A 27 8.806 10.894 8.467 1.00 2.21 H new ATOM 0 HB3 LYS A 27 10.010 10.786 9.736 1.00 2.21 H new ATOM 0 HG2 LYS A 27 11.211 11.577 7.174 1.00 2.65 H new ATOM 0 HG3 LYS A 27 9.931 12.675 7.652 1.00 2.65 H new ATOM 0 HD2 LYS A 27 11.111 13.495 9.434 1.00 3.30 H new ATOM 0 HD3 LYS A 27 11.746 11.922 9.873 1.00 3.30 H new ATOM 0 HE2 LYS A 27 13.554 13.445 9.135 1.00 3.80 H new ATOM 0 HE3 LYS A 27 13.431 12.049 8.083 1.00 3.80 H new ATOM 0 HZ1 LYS A 27 13.660 14.221 6.916 1.00 4.51 H new ATOM 0 HZ2 LYS A 27 12.296 13.328 6.444 1.00 4.51 H new ATOM 0 HZ3 LYS A 27 12.121 14.654 7.489 1.00 4.51 H new ATOM 387 N SER A 28 10.568 7.173 8.952 1.00 1.28 N ATOM 388 CA SER A 28 10.228 6.010 9.768 1.00 1.60 C ATOM 389 C SER A 28 8.743 5.683 9.653 1.00 1.60 C ATOM 390 O SER A 28 8.121 5.238 10.617 1.00 2.28 O ATOM 391 CB SER A 28 10.588 6.271 11.226 1.00 1.99 C ATOM 392 OG SER A 28 10.662 7.667 11.478 1.00 2.57 O ATOM 0 H SER A 28 11.380 7.039 8.349 1.00 1.28 H new ATOM 0 HA SER A 28 10.800 5.157 9.403 1.00 1.60 H new ATOM 0 HB2 SER A 28 9.842 5.817 11.878 1.00 1.99 H new ATOM 0 HB3 SER A 28 11.544 5.802 11.460 1.00 1.99 H new ATOM 0 HG SER A 28 10.892 7.818 12.419 1.00 2.57 H new ATOM 398 N GLY A 29 8.180 5.899 8.467 1.00 1.21 N ATOM 399 CA GLY A 29 6.768 5.619 8.228 1.00 1.23 C ATOM 400 C GLY A 29 5.908 6.842 8.516 1.00 1.36 C ATOM 401 O GLY A 29 6.142 7.565 9.485 1.00 2.05 O ATOM 0 H GLY A 29 8.680 6.267 7.657 1.00 1.21 H new ATOM 0 HA2 GLY A 29 6.626 5.307 7.193 1.00 1.23 H new ATOM 0 HA3 GLY A 29 6.447 4.789 8.858 1.00 1.23 H new ATOM 405 N ALA A 30 4.910 7.069 7.666 1.00 1.00 N ATOM 406 CA ALA A 30 4.010 8.206 7.823 1.00 1.10 C ATOM 407 C ALA A 30 3.045 8.294 6.646 1.00 1.06 C ATOM 408 O ALA A 30 1.836 8.430 6.831 1.00 1.43 O ATOM 409 CB ALA A 30 4.818 9.495 7.925 1.00 1.27 C ATOM 0 H ALA A 30 4.705 6.479 6.860 1.00 1.00 H new ATOM 0 HA ALA A 30 3.432 8.067 8.737 1.00 1.10 H new ATOM 0 HB1 ALA A 30 4.140 10.341 8.042 1.00 1.27 H new ATOM 0 HB2 ALA A 30 5.483 9.440 8.787 1.00 1.27 H new ATOM 0 HB3 ALA A 30 5.409 9.626 7.019 1.00 1.27 H new ATOM 415 N ASN A 31 3.588 8.220 5.434 1.00 0.73 N ATOM 416 CA ASN A 31 2.778 8.296 4.223 1.00 0.69 C ATOM 417 C ASN A 31 1.635 7.292 4.274 1.00 0.60 C ATOM 418 O ASN A 31 0.512 7.595 3.869 1.00 0.58 O ATOM 419 CB ASN A 31 3.649 8.027 2.998 1.00 0.71 C ATOM 420 CG ASN A 31 3.343 9.031 1.894 1.00 1.24 C ATOM 421 OD1 ASN A 31 2.678 10.042 2.123 1.00 1.91 O ATOM 422 ND2 ASN A 31 3.829 8.752 0.691 1.00 1.42 N ATOM 0 H ASN A 31 4.588 8.107 5.265 1.00 0.73 H new ATOM 0 HA ASN A 31 2.355 9.298 4.154 1.00 0.69 H new ATOM 0 HB2 ASN A 31 4.702 8.089 3.273 1.00 0.71 H new ATOM 0 HB3 ASN A 31 3.474 7.014 2.635 1.00 0.71 H new ATOM 0 HD21 ASN A 31 3.657 9.387 -0.089 1.00 1.42 H new ATOM 0 HD22 ASN A 31 4.375 7.903 0.546 1.00 1.42 H new ATOM 429 N ILE A 32 1.924 6.092 4.772 1.00 0.58 N ATOM 430 CA ILE A 32 0.918 5.036 4.875 1.00 0.56 C ATOM 431 C ILE A 32 -0.370 5.572 5.495 1.00 0.52 C ATOM 432 O ILE A 32 -1.468 5.142 5.139 1.00 0.51 O ATOM 433 CB ILE A 32 1.454 3.879 5.715 1.00 0.63 C ATOM 434 CG1 ILE A 32 2.193 4.399 6.947 1.00 0.70 C ATOM 435 CG2 ILE A 32 2.366 2.982 4.884 1.00 0.69 C ATOM 436 CD1 ILE A 32 1.752 3.673 8.215 1.00 1.07 C ATOM 0 H ILE A 32 2.848 5.826 5.111 1.00 0.58 H new ATOM 0 HA ILE A 32 0.696 4.678 3.870 1.00 0.56 H new ATOM 0 HB ILE A 32 0.604 3.285 6.051 1.00 0.63 H new ATOM 0 HG12 ILE A 32 3.267 4.271 6.809 1.00 0.70 H new ATOM 0 HG13 ILE A 32 2.011 5.468 7.057 1.00 0.70 H new ATOM 0 HG21 ILE A 32 2.736 2.165 5.504 1.00 0.69 H new ATOM 0 HG22 ILE A 32 1.806 2.574 4.042 1.00 0.69 H new ATOM 0 HG23 ILE A 32 3.209 3.565 4.512 1.00 0.69 H new ATOM 0 HD11 ILE A 32 2.299 4.070 9.070 1.00 1.07 H new ATOM 0 HD12 ILE A 32 0.683 3.823 8.367 1.00 1.07 H new ATOM 0 HD13 ILE A 32 1.959 2.607 8.115 1.00 1.07 H new ATOM 448 N ASN A 33 -0.228 6.516 6.419 1.00 0.56 N ATOM 449 CA ASN A 33 -1.380 7.112 7.086 1.00 0.59 C ATOM 450 C ASN A 33 -2.076 8.102 6.162 1.00 0.54 C ATOM 451 O ASN A 33 -3.303 8.195 6.144 1.00 0.55 O ATOM 452 CB ASN A 33 -0.938 7.816 8.366 1.00 0.71 C ATOM 453 CG ASN A 33 -1.556 7.140 9.582 1.00 0.97 C ATOM 454 OD1 ASN A 33 -2.302 7.761 10.339 1.00 1.51 O ATOM 455 ND2 ASN A 33 -1.248 5.862 9.770 1.00 1.62 N ATOM 0 H ASN A 33 0.673 6.885 6.723 1.00 0.56 H new ATOM 0 HA ASN A 33 -2.083 6.319 7.341 1.00 0.59 H new ATOM 0 HB2 ASN A 33 0.149 7.795 8.443 1.00 0.71 H new ATOM 0 HB3 ASN A 33 -1.236 8.864 8.334 1.00 0.71 H new ATOM 0 HD21 ASN A 33 -1.634 5.356 10.567 1.00 1.62 H new ATOM 0 HD22 ASN A 33 -0.625 5.386 9.117 1.00 1.62 H new ATOM 462 N ARG A 34 -1.283 8.839 5.389 1.00 0.55 N ATOM 463 CA ARG A 34 -1.821 9.821 4.457 1.00 0.56 C ATOM 464 C ARG A 34 -2.837 9.169 3.527 1.00 0.48 C ATOM 465 O ARG A 34 -3.928 9.699 3.316 1.00 0.48 O ATOM 466 CB ARG A 34 -0.691 10.437 3.638 1.00 0.65 C ATOM 467 CG ARG A 34 -0.951 11.911 3.341 1.00 0.89 C ATOM 468 CD ARG A 34 0.290 12.762 3.593 1.00 1.22 C ATOM 469 NE ARG A 34 1.392 12.312 2.752 1.00 1.69 N ATOM 470 CZ ARG A 34 1.555 12.763 1.512 1.00 2.27 C ATOM 471 NH1 ARG A 34 2.242 13.877 1.294 1.00 2.90 N ATOM 472 NH2 ARG A 34 1.034 12.100 0.490 1.00 2.78 N ATOM 0 H ARG A 34 -0.265 8.773 5.391 1.00 0.55 H new ATOM 0 HA ARG A 34 -2.319 10.605 5.027 1.00 0.56 H new ATOM 0 HB2 ARG A 34 0.249 10.335 4.180 1.00 0.65 H new ATOM 0 HB3 ARG A 34 -0.580 9.891 2.701 1.00 0.65 H new ATOM 0 HG2 ARG A 34 -1.266 12.024 2.304 1.00 0.89 H new ATOM 0 HG3 ARG A 34 -1.771 12.269 3.963 1.00 0.89 H new ATOM 0 HD2 ARG A 34 0.069 13.809 3.385 1.00 1.22 H new ATOM 0 HD3 ARG A 34 0.576 12.699 4.643 1.00 1.22 H new ATOM 0 HE ARG A 34 2.056 11.633 3.125 1.00 1.69 H new ATOM 0 HH11 ARG A 34 2.646 14.389 2.078 1.00 2.90 H new ATOM 0 HH12 ARG A 34 2.366 14.222 0.342 1.00 2.90 H new ATOM 0 HH21 ARG A 34 0.507 11.242 0.654 1.00 2.78 H new ATOM 0 HH22 ARG A 34 1.160 12.447 -0.461 1.00 2.78 H new ATOM 486 N ILE A 35 -2.474 8.014 2.979 1.00 0.45 N ATOM 487 CA ILE A 35 -3.355 7.284 2.076 1.00 0.40 C ATOM 488 C ILE A 35 -4.569 6.766 2.836 1.00 0.34 C ATOM 489 O ILE A 35 -5.707 7.042 2.466 1.00 0.34 O ATOM 490 CB ILE A 35 -2.598 6.127 1.426 1.00 0.41 C ATOM 491 CG1 ILE A 35 -1.441 6.654 0.580 1.00 0.54 C ATOM 492 CG2 ILE A 35 -3.531 5.269 0.575 1.00 0.40 C ATOM 493 CD1 ILE A 35 -0.168 6.818 1.404 1.00 1.29 C ATOM 0 H ILE A 35 -1.574 7.563 3.145 1.00 0.45 H new ATOM 0 HA ILE A 35 -3.698 7.959 1.292 1.00 0.40 H new ATOM 0 HB ILE A 35 -2.194 5.501 2.221 1.00 0.41 H new ATOM 0 HG12 ILE A 35 -1.253 5.969 -0.247 1.00 0.54 H new ATOM 0 HG13 ILE A 35 -1.717 7.613 0.143 1.00 0.54 H new ATOM 0 HG21 ILE A 35 -2.965 4.453 0.125 1.00 0.40 H new ATOM 0 HG22 ILE A 35 -4.322 4.859 1.203 1.00 0.40 H new ATOM 0 HG23 ILE A 35 -3.973 5.882 -0.211 1.00 0.40 H new ATOM 0 HD11 ILE A 35 0.632 7.195 0.767 1.00 1.29 H new ATOM 0 HD12 ILE A 35 -0.348 7.523 2.215 1.00 1.29 H new ATOM 0 HD13 ILE A 35 0.123 5.853 1.820 1.00 1.29 H new ATOM 505 N LYS A 36 -4.318 6.014 3.905 1.00 0.35 N ATOM 506 CA LYS A 36 -5.386 5.452 4.733 1.00 0.36 C ATOM 507 C LYS A 36 -6.511 6.463 4.948 1.00 0.39 C ATOM 508 O LYS A 36 -7.675 6.090 5.097 1.00 0.51 O ATOM 509 CB LYS A 36 -4.820 5.035 6.088 1.00 0.44 C ATOM 510 CG LYS A 36 -4.225 3.630 6.049 1.00 1.09 C ATOM 511 CD LYS A 36 -4.470 2.885 7.358 1.00 1.41 C ATOM 512 CE LYS A 36 -3.267 2.032 7.750 1.00 2.17 C ATOM 513 NZ LYS A 36 -2.103 2.881 8.130 1.00 2.76 N ATOM 0 H LYS A 36 -3.377 5.778 4.221 1.00 0.35 H new ATOM 0 HA LYS A 36 -5.795 4.585 4.214 1.00 0.36 H new ATOM 0 HB2 LYS A 36 -4.053 5.746 6.395 1.00 0.44 H new ATOM 0 HB3 LYS A 36 -5.609 5.074 6.839 1.00 0.44 H new ATOM 0 HG2 LYS A 36 -4.663 3.070 5.223 1.00 1.09 H new ATOM 0 HG3 LYS A 36 -3.153 3.692 5.859 1.00 1.09 H new ATOM 0 HD2 LYS A 36 -4.683 3.602 8.151 1.00 1.41 H new ATOM 0 HD3 LYS A 36 -5.350 2.250 7.257 1.00 1.41 H new ATOM 0 HE2 LYS A 36 -3.535 1.383 8.584 1.00 2.17 H new ATOM 0 HE3 LYS A 36 -2.991 1.384 6.918 1.00 2.17 H new ATOM 0 HZ1 LYS A 36 -1.462 2.337 8.742 1.00 2.76 H new ATOM 0 HZ2 LYS A 36 -1.595 3.177 7.272 1.00 2.76 H new ATOM 0 HZ3 LYS A 36 -2.439 3.722 8.641 1.00 2.76 H new ATOM 527 N ASP A 37 -6.153 7.744 4.970 1.00 0.40 N ATOM 528 CA ASP A 37 -7.125 8.810 5.174 1.00 0.45 C ATOM 529 C ASP A 37 -7.608 9.379 3.844 1.00 0.44 C ATOM 530 O ASP A 37 -8.811 9.495 3.609 1.00 0.60 O ATOM 531 CB ASP A 37 -6.500 9.917 6.010 1.00 0.51 C ATOM 532 CG ASP A 37 -7.434 10.318 7.144 1.00 0.82 C ATOM 533 OD1 ASP A 37 -8.468 10.961 6.865 1.00 1.37 O ATOM 534 OD2 ASP A 37 -7.130 9.988 8.310 1.00 1.56 O ATOM 0 H ASP A 37 -5.193 8.068 4.848 1.00 0.40 H new ATOM 0 HA ASP A 37 -7.986 8.393 5.697 1.00 0.45 H new ATOM 0 HB2 ASP A 37 -5.547 9.580 6.417 1.00 0.51 H new ATOM 0 HB3 ASP A 37 -6.289 10.782 5.381 1.00 0.51 H new ATOM 539 N GLN A 38 -6.665 9.740 2.979 1.00 0.41 N ATOM 540 CA GLN A 38 -6.991 10.305 1.675 1.00 0.46 C ATOM 541 C GLN A 38 -7.732 9.299 0.802 1.00 0.42 C ATOM 542 O GLN A 38 -8.432 9.677 -0.138 1.00 0.68 O ATOM 543 CB GLN A 38 -5.718 10.750 0.976 1.00 0.54 C ATOM 544 CG GLN A 38 -5.995 11.898 0.017 1.00 0.65 C ATOM 545 CD GLN A 38 -6.560 13.096 0.770 1.00 1.05 C ATOM 546 OE1 GLN A 38 -6.524 13.141 2.000 1.00 1.65 O ATOM 547 NE2 GLN A 38 -7.082 14.069 0.033 1.00 1.66 N ATOM 0 H GLN A 38 -5.665 9.651 3.159 1.00 0.41 H new ATOM 0 HA GLN A 38 -7.645 11.163 1.833 1.00 0.46 H new ATOM 0 HB2 GLN A 38 -4.981 11.060 1.717 1.00 0.54 H new ATOM 0 HB3 GLN A 38 -5.287 9.911 0.430 1.00 0.54 H new ATOM 0 HG2 GLN A 38 -5.075 12.183 -0.494 1.00 0.65 H new ATOM 0 HG3 GLN A 38 -6.700 11.577 -0.750 1.00 0.65 H new ATOM 0 HE21 GLN A 38 -7.091 13.990 -0.984 1.00 1.66 H new ATOM 0 HE22 GLN A 38 -7.474 14.896 0.484 1.00 1.66 H new ATOM 556 N TYR A 39 -7.571 8.017 1.110 1.00 0.34 N ATOM 557 CA TYR A 39 -8.218 6.958 0.347 1.00 0.34 C ATOM 558 C TYR A 39 -9.140 6.114 1.228 1.00 0.30 C ATOM 559 O TYR A 39 -9.822 5.218 0.730 1.00 0.32 O ATOM 560 CB TYR A 39 -7.158 6.067 -0.295 1.00 0.39 C ATOM 561 CG TYR A 39 -6.406 6.752 -1.407 1.00 0.46 C ATOM 562 CD1 TYR A 39 -5.416 7.674 -1.110 1.00 0.53 C ATOM 563 CD2 TYR A 39 -6.699 6.461 -2.727 1.00 0.64 C ATOM 564 CE1 TYR A 39 -4.724 8.302 -2.130 1.00 0.62 C ATOM 565 CE2 TYR A 39 -6.005 7.090 -3.747 1.00 0.73 C ATOM 566 CZ TYR A 39 -5.022 8.008 -3.443 1.00 0.66 C ATOM 567 OH TYR A 39 -4.333 8.632 -4.457 1.00 0.77 O ATOM 0 H TYR A 39 -6.996 7.686 1.885 1.00 0.34 H new ATOM 0 HA TYR A 39 -8.828 7.424 -0.427 1.00 0.34 H new ATOM 0 HB2 TYR A 39 -6.451 5.745 0.469 1.00 0.39 H new ATOM 0 HB3 TYR A 39 -7.635 5.169 -0.687 1.00 0.39 H new ATOM 0 HD1 TYR A 39 -5.184 7.903 -0.080 1.00 0.53 H new ATOM 0 HD2 TYR A 39 -7.470 5.742 -2.963 1.00 0.64 H new ATOM 0 HE1 TYR A 39 -3.952 9.021 -1.898 1.00 0.62 H new ATOM 0 HE2 TYR A 39 -6.233 6.862 -4.778 1.00 0.73 H new ATOM 0 HH TYR A 39 -4.619 8.266 -5.320 1.00 0.77 H new ATOM 577 N LYS A 40 -9.163 6.392 2.532 1.00 0.28 N ATOM 578 CA LYS A 40 -10.006 5.637 3.454 1.00 0.31 C ATOM 579 C LYS A 40 -9.751 4.145 3.295 1.00 0.29 C ATOM 580 O LYS A 40 -10.685 3.352 3.178 1.00 0.39 O ATOM 581 CB LYS A 40 -11.478 5.941 3.184 1.00 0.38 C ATOM 582 CG LYS A 40 -11.943 7.188 3.930 1.00 0.86 C ATOM 583 CD LYS A 40 -13.301 7.670 3.425 1.00 1.29 C ATOM 584 CE LYS A 40 -14.343 6.555 3.457 1.00 1.88 C ATOM 585 NZ LYS A 40 -14.724 6.210 4.854 1.00 2.56 N ATOM 0 H LYS A 40 -8.611 7.130 2.970 1.00 0.28 H new ATOM 0 HA LYS A 40 -9.761 5.932 4.474 1.00 0.31 H new ATOM 0 HB2 LYS A 40 -11.631 6.079 2.114 1.00 0.38 H new ATOM 0 HB3 LYS A 40 -12.087 5.089 3.485 1.00 0.38 H new ATOM 0 HG2 LYS A 40 -12.006 6.972 4.997 1.00 0.86 H new ATOM 0 HG3 LYS A 40 -11.206 7.982 3.808 1.00 0.86 H new ATOM 0 HD2 LYS A 40 -13.642 8.504 4.038 1.00 1.29 H new ATOM 0 HD3 LYS A 40 -13.199 8.044 2.406 1.00 1.29 H new ATOM 0 HE2 LYS A 40 -15.228 6.866 2.903 1.00 1.88 H new ATOM 0 HE3 LYS A 40 -13.948 5.671 2.957 1.00 1.88 H new ATOM 0 HZ1 LYS A 40 -15.433 5.450 4.843 1.00 2.56 H new ATOM 0 HZ2 LYS A 40 -13.882 5.891 5.375 1.00 2.56 H new ATOM 0 HZ3 LYS A 40 -15.123 7.049 5.322 1.00 2.56 H new ATOM 599 N VAL A 41 -8.476 3.773 3.278 1.00 0.23 N ATOM 600 CA VAL A 41 -8.084 2.377 3.116 1.00 0.23 C ATOM 601 C VAL A 41 -7.084 1.972 4.191 1.00 0.27 C ATOM 602 O VAL A 41 -6.823 2.729 5.125 1.00 0.33 O ATOM 603 CB VAL A 41 -7.468 2.185 1.736 1.00 0.23 C ATOM 604 CG1 VAL A 41 -8.506 2.429 0.648 1.00 0.25 C ATOM 605 CG2 VAL A 41 -6.273 3.115 1.550 1.00 0.23 C ATOM 0 H VAL A 41 -7.694 4.421 3.375 1.00 0.23 H new ATOM 0 HA VAL A 41 -8.968 1.747 3.215 1.00 0.23 H new ATOM 0 HB VAL A 41 -7.120 1.155 1.656 1.00 0.23 H new ATOM 0 HG11 VAL A 41 -8.047 2.287 -0.331 1.00 0.25 H new ATOM 0 HG12 VAL A 41 -9.331 1.726 0.768 1.00 0.25 H new ATOM 0 HG13 VAL A 41 -8.884 3.448 0.727 1.00 0.25 H new ATOM 0 HG21 VAL A 41 -5.845 2.964 0.559 1.00 0.23 H new ATOM 0 HG22 VAL A 41 -6.598 4.150 1.651 1.00 0.23 H new ATOM 0 HG23 VAL A 41 -5.520 2.896 2.307 1.00 0.23 H new ATOM 615 N SER A 42 -6.523 0.774 4.051 1.00 0.29 N ATOM 616 CA SER A 42 -5.547 0.270 5.008 1.00 0.34 C ATOM 617 C SER A 42 -4.261 -0.124 4.292 1.00 0.30 C ATOM 618 O SER A 42 -4.161 -1.208 3.717 1.00 0.36 O ATOM 619 CB SER A 42 -6.120 -0.926 5.762 1.00 0.43 C ATOM 620 OG SER A 42 -6.002 -2.111 4.988 1.00 0.93 O ATOM 0 H SER A 42 -6.729 0.135 3.283 1.00 0.29 H new ATOM 0 HA SER A 42 -5.319 1.059 5.724 1.00 0.34 H new ATOM 0 HB2 SER A 42 -5.595 -1.051 6.709 1.00 0.43 H new ATOM 0 HB3 SER A 42 -7.168 -0.744 6.000 1.00 0.43 H new ATOM 0 HG SER A 42 -6.082 -1.890 4.037 1.00 0.93 H new ATOM 626 N VAL A 43 -3.276 0.769 4.325 1.00 0.33 N ATOM 627 CA VAL A 43 -1.996 0.519 3.675 1.00 0.34 C ATOM 628 C VAL A 43 -0.961 0.056 4.691 1.00 0.35 C ATOM 629 O VAL A 43 -0.724 0.722 5.698 1.00 0.55 O ATOM 630 CB VAL A 43 -1.510 1.786 2.978 1.00 0.49 C ATOM 631 CG1 VAL A 43 -0.234 1.511 2.187 1.00 0.54 C ATOM 632 CG2 VAL A 43 -2.598 2.353 2.071 1.00 1.25 C ATOM 0 H VAL A 43 -3.341 1.672 4.795 1.00 0.33 H new ATOM 0 HA VAL A 43 -2.131 -0.269 2.934 1.00 0.34 H new ATOM 0 HB VAL A 43 -1.282 2.530 3.741 1.00 0.49 H new ATOM 0 HG11 VAL A 43 0.095 2.428 1.698 1.00 0.54 H new ATOM 0 HG12 VAL A 43 0.545 1.161 2.864 1.00 0.54 H new ATOM 0 HG13 VAL A 43 -0.430 0.748 1.434 1.00 0.54 H new ATOM 0 HG21 VAL A 43 -2.231 3.256 1.583 1.00 1.25 H new ATOM 0 HG22 VAL A 43 -2.863 1.614 1.314 1.00 1.25 H new ATOM 0 HG23 VAL A 43 -3.479 2.594 2.666 1.00 1.25 H new ATOM 642 N ARG A 44 -0.349 -1.091 4.419 1.00 0.31 N ATOM 643 CA ARG A 44 0.662 -1.647 5.310 1.00 0.42 C ATOM 644 C ARG A 44 1.935 -1.967 4.540 1.00 0.40 C ATOM 645 O ARG A 44 1.928 -2.788 3.622 1.00 0.41 O ATOM 646 CB ARG A 44 0.129 -2.911 5.980 1.00 0.52 C ATOM 647 CG ARG A 44 -1.263 -2.691 6.566 1.00 0.78 C ATOM 648 CD ARG A 44 -1.200 -1.959 7.904 1.00 1.05 C ATOM 649 NE ARG A 44 -0.849 -2.884 8.975 1.00 1.31 N ATOM 650 CZ ARG A 44 -0.819 -2.501 10.248 1.00 1.74 C ATOM 651 NH1 ARG A 44 0.134 -1.686 10.675 1.00 2.27 N ATOM 652 NH2 ARG A 44 -1.743 -2.935 11.094 1.00 2.28 N ATOM 0 H ARG A 44 -0.535 -1.654 3.589 1.00 0.31 H new ATOM 0 HA ARG A 44 0.894 -0.906 6.075 1.00 0.42 H new ATOM 0 HB2 ARG A 44 0.094 -3.722 5.253 1.00 0.52 H new ATOM 0 HB3 ARG A 44 0.813 -3.221 6.771 1.00 0.52 H new ATOM 0 HG2 ARG A 44 -1.867 -2.116 5.864 1.00 0.78 H new ATOM 0 HG3 ARG A 44 -1.758 -3.653 6.700 1.00 0.78 H new ATOM 0 HD2 ARG A 44 -0.464 -1.157 7.852 1.00 1.05 H new ATOM 0 HD3 ARG A 44 -2.163 -1.495 8.117 1.00 1.05 H new ATOM 0 HE ARG A 44 -0.620 -3.850 8.742 1.00 1.31 H new ATOM 0 HH11 ARG A 44 0.847 -1.351 10.027 1.00 2.27 H new ATOM 0 HH12 ARG A 44 0.155 -1.394 11.652 1.00 2.27 H new ATOM 0 HH21 ARG A 44 -2.478 -3.563 10.769 1.00 2.28 H new ATOM 0 HH22 ARG A 44 -1.719 -2.641 12.070 1.00 2.28 H new ATOM 666 N ILE A 45 3.030 -1.318 4.922 1.00 0.46 N ATOM 667 CA ILE A 45 4.319 -1.532 4.276 1.00 0.47 C ATOM 668 C ILE A 45 5.130 -2.562 5.062 1.00 0.53 C ATOM 669 O ILE A 45 5.650 -2.261 6.137 1.00 0.64 O ATOM 670 CB ILE A 45 5.080 -0.206 4.191 1.00 0.56 C ATOM 671 CG1 ILE A 45 4.335 0.783 3.292 1.00 0.59 C ATOM 672 CG2 ILE A 45 6.506 -0.414 3.685 1.00 0.60 C ATOM 673 CD1 ILE A 45 4.441 0.401 1.816 1.00 0.56 C ATOM 0 H ILE A 45 3.049 -0.636 5.680 1.00 0.46 H new ATOM 0 HA ILE A 45 4.159 -1.911 3.267 1.00 0.47 H new ATOM 0 HB ILE A 45 5.139 0.209 5.197 1.00 0.56 H new ATOM 0 HG12 ILE A 45 3.285 0.819 3.583 1.00 0.59 H new ATOM 0 HG13 ILE A 45 4.741 1.784 3.438 1.00 0.59 H new ATOM 0 HG21 ILE A 45 7.019 0.547 3.636 1.00 0.60 H new ATOM 0 HG22 ILE A 45 7.041 -1.077 4.366 1.00 0.60 H new ATOM 0 HG23 ILE A 45 6.478 -0.861 2.691 1.00 0.60 H new ATOM 0 HD11 ILE A 45 3.899 1.128 1.212 1.00 0.56 H new ATOM 0 HD12 ILE A 45 5.489 0.391 1.517 1.00 0.56 H new ATOM 0 HD13 ILE A 45 4.011 -0.589 1.665 1.00 0.56 H new ATOM 685 N PRO A 46 5.250 -3.797 4.540 1.00 0.48 N ATOM 686 CA PRO A 46 6.001 -4.861 5.211 1.00 0.58 C ATOM 687 C PRO A 46 7.510 -4.681 5.062 1.00 0.61 C ATOM 688 O PRO A 46 8.055 -4.832 3.969 1.00 0.56 O ATOM 689 CB PRO A 46 5.524 -6.132 4.514 1.00 0.57 C ATOM 690 CG PRO A 46 5.059 -5.699 3.165 1.00 0.47 C ATOM 691 CD PRO A 46 4.664 -4.250 3.266 1.00 0.41 C ATOM 0 HA PRO A 46 5.828 -4.873 6.287 1.00 0.58 H new ATOM 0 HB2 PRO A 46 6.330 -6.862 4.435 1.00 0.57 H new ATOM 0 HB3 PRO A 46 4.718 -6.607 5.073 1.00 0.57 H new ATOM 0 HG2 PRO A 46 5.850 -5.830 2.427 1.00 0.47 H new ATOM 0 HG3 PRO A 46 4.214 -6.305 2.838 1.00 0.47 H new ATOM 0 HD2 PRO A 46 5.049 -3.674 2.425 1.00 0.41 H new ATOM 0 HD3 PRO A 46 3.580 -4.133 3.263 1.00 0.41 H new ATOM 699 N PRO A 47 8.211 -4.357 6.163 1.00 0.74 N ATOM 700 CA PRO A 47 9.666 -4.162 6.134 1.00 0.81 C ATOM 701 C PRO A 47 10.413 -5.484 6.001 1.00 0.87 C ATOM 702 O PRO A 47 10.179 -6.419 6.765 1.00 1.53 O ATOM 703 CB PRO A 47 9.964 -3.484 7.469 1.00 0.98 C ATOM 704 CG PRO A 47 8.852 -3.889 8.376 1.00 1.03 C ATOM 705 CD PRO A 47 7.648 -4.160 7.510 1.00 0.85 C ATOM 0 HA PRO A 47 9.991 -3.572 5.277 1.00 0.81 H new ATOM 0 HB2 PRO A 47 10.929 -3.802 7.864 1.00 0.98 H new ATOM 0 HB3 PRO A 47 10.006 -2.400 7.359 1.00 0.98 H new ATOM 0 HG2 PRO A 47 9.124 -4.777 8.946 1.00 1.03 H new ATOM 0 HG3 PRO A 47 8.637 -3.101 9.098 1.00 1.03 H new ATOM 0 HD2 PRO A 47 7.105 -5.042 7.848 1.00 0.85 H new ATOM 0 HD3 PRO A 47 6.946 -3.326 7.531 1.00 0.85 H new ATOM 713 N ASP A 48 11.308 -5.556 5.022 1.00 1.32 N ATOM 714 CA ASP A 48 12.087 -6.766 4.785 1.00 1.46 C ATOM 715 C ASP A 48 13.324 -6.456 3.953 1.00 1.48 C ATOM 716 O ASP A 48 13.668 -5.294 3.739 1.00 2.18 O ATOM 717 CB ASP A 48 11.227 -7.802 4.067 1.00 2.16 C ATOM 718 CG ASP A 48 10.560 -7.182 2.845 1.00 2.56 C ATOM 719 OD1 ASP A 48 11.274 -6.567 2.025 1.00 3.01 O ATOM 720 OD2 ASP A 48 9.326 -7.314 2.710 1.00 3.03 O ATOM 0 H ASP A 48 11.512 -4.791 4.379 1.00 1.32 H new ATOM 0 HA ASP A 48 12.408 -7.165 5.747 1.00 1.46 H new ATOM 0 HB2 ASP A 48 11.843 -8.648 3.763 1.00 2.16 H new ATOM 0 HB3 ASP A 48 10.468 -8.188 4.747 1.00 2.16 H new ATOM 725 N SER A 49 13.990 -7.508 3.485 1.00 1.59 N ATOM 726 CA SER A 49 15.191 -7.358 2.672 1.00 2.11 C ATOM 727 C SER A 49 15.424 -8.612 1.839 1.00 1.90 C ATOM 728 O SER A 49 16.438 -9.292 1.992 1.00 2.33 O ATOM 729 CB SER A 49 16.398 -7.096 3.567 1.00 3.03 C ATOM 730 OG SER A 49 16.392 -5.757 4.034 1.00 3.81 O ATOM 0 H SER A 49 13.717 -8.476 3.656 1.00 1.59 H new ATOM 0 HA SER A 49 15.055 -6.510 2.000 1.00 2.11 H new ATOM 0 HB2 SER A 49 16.385 -7.782 4.414 1.00 3.03 H new ATOM 0 HB3 SER A 49 17.317 -7.290 3.013 1.00 3.03 H new ATOM 0 HG SER A 49 15.513 -5.357 3.869 1.00 3.81 H new ATOM 736 N GLU A 50 14.475 -8.913 0.959 1.00 1.92 N ATOM 737 CA GLU A 50 14.570 -10.088 0.100 1.00 2.27 C ATOM 738 C GLU A 50 14.646 -9.677 -1.363 1.00 2.09 C ATOM 739 O GLU A 50 14.686 -8.489 -1.684 1.00 2.74 O ATOM 740 CB GLU A 50 13.360 -10.992 0.320 1.00 3.06 C ATOM 741 CG GLU A 50 13.773 -12.448 0.515 1.00 3.83 C ATOM 742 CD GLU A 50 12.570 -13.290 0.919 1.00 4.43 C ATOM 743 OE1 GLU A 50 11.675 -13.496 0.072 1.00 4.75 O ATOM 744 OE2 GLU A 50 12.525 -13.743 2.082 1.00 4.97 O ATOM 0 H GLU A 50 13.630 -8.359 0.822 1.00 1.92 H new ATOM 0 HA GLU A 50 15.479 -10.632 0.357 1.00 2.27 H new ATOM 0 HB2 GLU A 50 12.805 -10.651 1.194 1.00 3.06 H new ATOM 0 HB3 GLU A 50 12.688 -10.915 -0.535 1.00 3.06 H new ATOM 0 HG2 GLU A 50 14.204 -12.837 -0.407 1.00 3.83 H new ATOM 0 HG3 GLU A 50 14.545 -12.514 1.281 1.00 3.83 H new ATOM 751 N LYS A 51 14.665 -10.667 -2.249 1.00 1.76 N ATOM 752 CA LYS A 51 14.734 -10.412 -3.682 1.00 1.77 C ATOM 753 C LYS A 51 13.442 -9.769 -4.170 1.00 1.55 C ATOM 754 O LYS A 51 13.451 -8.655 -4.693 1.00 2.20 O ATOM 755 CB LYS A 51 14.980 -11.718 -4.432 1.00 2.14 C ATOM 756 CG LYS A 51 15.463 -11.469 -5.858 1.00 2.60 C ATOM 757 CD LYS A 51 15.255 -12.695 -6.743 1.00 3.36 C ATOM 758 CE LYS A 51 14.560 -12.331 -8.053 1.00 4.12 C ATOM 759 NZ LYS A 51 15.435 -12.613 -9.224 1.00 4.81 N ATOM 0 H LYS A 51 14.633 -11.655 -1.999 1.00 1.76 H new ATOM 0 HA LYS A 51 15.560 -9.727 -3.875 1.00 1.77 H new ATOM 0 HB2 LYS A 51 15.720 -12.311 -3.896 1.00 2.14 H new ATOM 0 HB3 LYS A 51 14.060 -12.302 -4.456 1.00 2.14 H new ATOM 0 HG2 LYS A 51 14.928 -10.619 -6.281 1.00 2.60 H new ATOM 0 HG3 LYS A 51 16.520 -11.205 -5.844 1.00 2.60 H new ATOM 0 HD2 LYS A 51 16.219 -13.157 -6.958 1.00 3.36 H new ATOM 0 HD3 LYS A 51 14.659 -13.434 -6.208 1.00 3.36 H new ATOM 0 HE2 LYS A 51 13.632 -12.896 -8.145 1.00 4.12 H new ATOM 0 HE3 LYS A 51 14.290 -11.275 -8.043 1.00 4.12 H new ATOM 0 HZ1 LYS A 51 14.936 -12.356 -10.100 1.00 4.81 H new ATOM 0 HZ2 LYS A 51 16.309 -12.055 -9.147 1.00 4.81 H new ATOM 0 HZ3 LYS A 51 15.671 -13.626 -9.245 1.00 4.81 H new ATOM 773 N SER A 52 12.331 -10.476 -3.991 1.00 1.19 N ATOM 774 CA SER A 52 11.029 -9.978 -4.409 1.00 1.04 C ATOM 775 C SER A 52 10.315 -9.302 -3.245 1.00 0.92 C ATOM 776 O SER A 52 10.301 -9.821 -2.128 1.00 1.19 O ATOM 777 CB SER A 52 10.185 -11.128 -4.939 1.00 1.25 C ATOM 778 OG SER A 52 10.637 -11.530 -6.223 1.00 2.03 O ATOM 0 H SER A 52 12.308 -11.399 -3.557 1.00 1.19 H new ATOM 0 HA SER A 52 11.174 -9.242 -5.200 1.00 1.04 H new ATOM 0 HB2 SER A 52 10.235 -11.971 -4.250 1.00 1.25 H new ATOM 0 HB3 SER A 52 9.140 -10.824 -4.994 1.00 1.25 H new ATOM 0 HG SER A 52 10.084 -12.271 -6.547 1.00 2.03 H new ATOM 784 N ASN A 53 9.724 -8.142 -3.513 1.00 0.68 N ATOM 785 CA ASN A 53 9.006 -7.393 -2.489 1.00 0.61 C ATOM 786 C ASN A 53 7.510 -7.395 -2.779 1.00 0.59 C ATOM 787 O ASN A 53 7.084 -7.702 -3.892 1.00 0.99 O ATOM 788 CB ASN A 53 9.523 -5.959 -2.435 1.00 0.60 C ATOM 789 CG ASN A 53 9.542 -5.457 -0.997 1.00 0.89 C ATOM 790 OD1 ASN A 53 9.130 -6.162 -0.077 1.00 1.68 O ATOM 791 ND2 ASN A 53 10.024 -4.234 -0.803 1.00 1.28 N ATOM 0 H ASN A 53 9.729 -7.700 -4.432 1.00 0.68 H new ATOM 0 HA ASN A 53 9.175 -7.871 -1.524 1.00 0.61 H new ATOM 0 HB2 ASN A 53 10.527 -5.911 -2.857 1.00 0.60 H new ATOM 0 HB3 ASN A 53 8.890 -5.314 -3.044 1.00 0.60 H new ATOM 0 HD21 ASN A 53 10.063 -3.845 0.139 1.00 1.28 H new ATOM 0 HD22 ASN A 53 10.355 -3.685 -1.596 1.00 1.28 H new ATOM 798 N LEU A 54 6.716 -7.052 -1.770 1.00 0.55 N ATOM 799 CA LEU A 54 5.266 -7.017 -1.918 1.00 0.51 C ATOM 800 C LEU A 54 4.624 -6.256 -0.763 1.00 0.44 C ATOM 801 O LEU A 54 4.846 -6.579 0.404 1.00 0.57 O ATOM 802 CB LEU A 54 4.715 -8.439 -1.970 1.00 0.65 C ATOM 803 CG LEU A 54 4.267 -8.819 -3.379 1.00 0.82 C ATOM 804 CD1 LEU A 54 5.260 -9.783 -4.021 1.00 1.49 C ATOM 805 CD2 LEU A 54 2.867 -9.425 -3.353 1.00 1.49 C ATOM 0 H LEU A 54 7.052 -6.795 -0.842 1.00 0.55 H new ATOM 0 HA LEU A 54 5.026 -6.502 -2.848 1.00 0.51 H new ATOM 0 HB2 LEU A 54 5.479 -9.138 -1.630 1.00 0.65 H new ATOM 0 HB3 LEU A 54 3.873 -8.528 -1.284 1.00 0.65 H new ATOM 0 HG LEU A 54 4.236 -7.912 -3.983 1.00 0.82 H new ATOM 0 HD11 LEU A 54 4.921 -10.040 -5.024 1.00 1.49 H new ATOM 0 HD12 LEU A 54 6.240 -9.310 -4.080 1.00 1.49 H new ATOM 0 HD13 LEU A 54 5.330 -10.689 -3.418 1.00 1.49 H new ATOM 0 HD21 LEU A 54 2.566 -9.689 -4.367 1.00 1.49 H new ATOM 0 HD22 LEU A 54 2.869 -10.320 -2.730 1.00 1.49 H new ATOM 0 HD23 LEU A 54 2.164 -8.700 -2.943 1.00 1.49 H new ATOM 817 N ILE A 55 3.823 -5.248 -1.098 1.00 0.31 N ATOM 818 CA ILE A 55 3.142 -4.444 -0.089 1.00 0.26 C ATOM 819 C ILE A 55 1.707 -4.926 0.090 1.00 0.27 C ATOM 820 O ILE A 55 1.085 -5.421 -0.850 1.00 0.34 O ATOM 821 CB ILE A 55 3.155 -2.970 -0.498 1.00 0.27 C ATOM 822 CG1 ILE A 55 4.590 -2.451 -0.572 1.00 0.31 C ATOM 823 CG2 ILE A 55 2.331 -2.120 0.467 1.00 0.31 C ATOM 824 CD1 ILE A 55 4.658 -1.077 -1.232 1.00 0.35 C ATOM 0 H ILE A 55 3.630 -4.969 -2.060 1.00 0.31 H new ATOM 0 HA ILE A 55 3.667 -4.552 0.860 1.00 0.26 H new ATOM 0 HB ILE A 55 2.701 -2.892 -1.486 1.00 0.27 H new ATOM 0 HG12 ILE A 55 5.009 -2.394 0.433 1.00 0.31 H new ATOM 0 HG13 ILE A 55 5.204 -3.156 -1.133 1.00 0.31 H new ATOM 0 HG21 ILE A 55 2.360 -1.078 0.149 1.00 0.31 H new ATOM 0 HG22 ILE A 55 1.299 -2.470 0.470 1.00 0.31 H new ATOM 0 HG23 ILE A 55 2.746 -2.205 1.472 1.00 0.31 H new ATOM 0 HD11 ILE A 55 5.694 -0.741 -1.267 1.00 0.35 H new ATOM 0 HD12 ILE A 55 4.263 -1.140 -2.246 1.00 0.35 H new ATOM 0 HD13 ILE A 55 4.065 -0.367 -0.656 1.00 0.35 H new ATOM 836 N ARG A 56 1.187 -4.783 1.304 1.00 0.29 N ATOM 837 CA ARG A 56 -0.173 -5.208 1.612 1.00 0.32 C ATOM 838 C ARG A 56 -1.130 -4.022 1.586 1.00 0.29 C ATOM 839 O ARG A 56 -0.848 -2.971 2.161 1.00 0.42 O ATOM 840 CB ARG A 56 -0.214 -5.873 2.984 1.00 0.42 C ATOM 841 CG ARG A 56 0.419 -7.261 2.953 1.00 0.55 C ATOM 842 CD ARG A 56 1.484 -7.414 4.035 1.00 0.84 C ATOM 843 NE ARG A 56 2.311 -8.585 3.770 1.00 1.44 N ATOM 844 CZ ARG A 56 1.788 -9.804 3.694 1.00 1.77 C ATOM 845 NH1 ARG A 56 1.144 -10.318 4.734 1.00 2.19 N ATOM 846 NH2 ARG A 56 1.909 -10.511 2.579 1.00 2.33 N ATOM 0 H ARG A 56 1.689 -4.375 2.093 1.00 0.29 H new ATOM 0 HA ARG A 56 -0.488 -5.924 0.853 1.00 0.32 H new ATOM 0 HB2 ARG A 56 0.311 -5.249 3.708 1.00 0.42 H new ATOM 0 HB3 ARG A 56 -1.248 -5.951 3.321 1.00 0.42 H new ATOM 0 HG2 ARG A 56 -0.353 -8.017 3.092 1.00 0.55 H new ATOM 0 HG3 ARG A 56 0.865 -7.437 1.974 1.00 0.55 H new ATOM 0 HD2 ARG A 56 2.107 -6.521 4.070 1.00 0.84 H new ATOM 0 HD3 ARG A 56 1.009 -7.509 5.011 1.00 0.84 H new ATOM 0 HE ARG A 56 3.316 -8.466 3.640 1.00 1.44 H new ATOM 0 HH11 ARG A 56 1.050 -9.777 5.594 1.00 2.19 H new ATOM 0 HH12 ARG A 56 0.743 -11.254 4.674 1.00 2.19 H new ATOM 0 HH21 ARG A 56 2.404 -10.119 1.778 1.00 2.33 H new ATOM 0 HH22 ARG A 56 1.507 -11.447 2.522 1.00 2.33 H new ATOM 860 N ILE A 57 -2.265 -4.206 0.921 1.00 0.24 N ATOM 861 CA ILE A 57 -3.277 -3.161 0.819 1.00 0.24 C ATOM 862 C ILE A 57 -4.668 -3.769 0.938 1.00 0.26 C ATOM 863 O ILE A 57 -4.916 -4.866 0.439 1.00 0.40 O ATOM 864 CB ILE A 57 -3.147 -2.432 -0.513 1.00 0.26 C ATOM 865 CG1 ILE A 57 -1.725 -1.909 -0.706 1.00 0.28 C ATOM 866 CG2 ILE A 57 -4.154 -1.290 -0.604 1.00 0.35 C ATOM 867 CD1 ILE A 57 -1.402 -0.785 0.274 1.00 1.32 C ATOM 0 H ILE A 57 -2.508 -5.073 0.442 1.00 0.24 H new ATOM 0 HA ILE A 57 -3.127 -2.449 1.630 1.00 0.24 H new ATOM 0 HB ILE A 57 -3.362 -3.143 -1.311 1.00 0.26 H new ATOM 0 HG12 ILE A 57 -1.015 -2.725 -0.571 1.00 0.28 H new ATOM 0 HG13 ILE A 57 -1.605 -1.548 -1.727 1.00 0.28 H new ATOM 0 HG21 ILE A 57 -4.044 -0.783 -1.563 1.00 0.35 H new ATOM 0 HG22 ILE A 57 -5.165 -1.689 -0.518 1.00 0.35 H new ATOM 0 HG23 ILE A 57 -3.974 -0.581 0.204 1.00 0.35 H new ATOM 0 HD11 ILE A 57 -0.382 -0.438 0.107 1.00 1.32 H new ATOM 0 HD12 ILE A 57 -2.096 0.042 0.121 1.00 1.32 H new ATOM 0 HD13 ILE A 57 -1.497 -1.154 1.295 1.00 1.32 H new ATOM 879 N GLU A 58 -5.573 -3.062 1.605 1.00 0.23 N ATOM 880 CA GLU A 58 -6.935 -3.551 1.783 1.00 0.25 C ATOM 881 C GLU A 58 -7.846 -2.448 2.299 1.00 0.24 C ATOM 882 O GLU A 58 -7.437 -1.610 3.103 1.00 0.26 O ATOM 883 CB GLU A 58 -6.936 -4.728 2.757 1.00 0.32 C ATOM 884 CG GLU A 58 -8.344 -5.265 2.998 1.00 0.37 C ATOM 885 CD GLU A 58 -8.414 -5.980 4.341 1.00 0.82 C ATOM 886 OE1 GLU A 58 -7.697 -6.987 4.518 1.00 1.56 O ATOM 887 OE2 GLU A 58 -9.188 -5.534 5.215 1.00 1.47 O ATOM 0 H GLU A 58 -5.390 -2.153 2.030 1.00 0.23 H new ATOM 0 HA GLU A 58 -7.314 -3.880 0.815 1.00 0.25 H new ATOM 0 HB2 GLU A 58 -6.306 -5.525 2.364 1.00 0.32 H new ATOM 0 HB3 GLU A 58 -6.499 -4.415 3.705 1.00 0.32 H new ATOM 0 HG2 GLU A 58 -9.062 -4.445 2.977 1.00 0.37 H new ATOM 0 HG3 GLU A 58 -8.621 -5.952 2.198 1.00 0.37 H new ATOM 894 N GLY A 59 -9.085 -2.460 1.829 1.00 0.25 N ATOM 895 CA GLY A 59 -10.076 -1.471 2.229 1.00 0.27 C ATOM 896 C GLY A 59 -11.473 -1.998 1.952 1.00 0.39 C ATOM 897 O GLY A 59 -11.895 -2.997 2.535 1.00 0.59 O ATOM 0 H GLY A 59 -9.431 -3.151 1.163 1.00 0.25 H new ATOM 0 HA2 GLY A 59 -9.968 -1.243 3.289 1.00 0.27 H new ATOM 0 HA3 GLY A 59 -9.914 -0.541 1.685 1.00 0.27 H new ATOM 901 N ASP A 60 -12.187 -1.336 1.049 1.00 0.53 N ATOM 902 CA ASP A 60 -13.532 -1.765 0.698 1.00 0.70 C ATOM 903 C ASP A 60 -14.049 -1.018 -0.524 1.00 0.59 C ATOM 904 O ASP A 60 -14.283 -1.618 -1.572 1.00 1.04 O ATOM 905 CB ASP A 60 -14.474 -1.556 1.879 1.00 1.22 C ATOM 906 CG ASP A 60 -14.940 -2.897 2.431 1.00 1.93 C ATOM 907 OD1 ASP A 60 -15.210 -3.811 1.624 1.00 2.66 O ATOM 908 OD2 ASP A 60 -15.033 -3.031 3.669 1.00 2.31 O ATOM 0 H ASP A 60 -11.860 -0.508 0.552 1.00 0.53 H new ATOM 0 HA ASP A 60 -13.494 -2.826 0.453 1.00 0.70 H new ATOM 0 HB2 ASP A 60 -13.967 -0.990 2.661 1.00 1.22 H new ATOM 0 HB3 ASP A 60 -15.335 -0.966 1.565 1.00 1.22 H new ATOM 913 N PRO A 61 -14.238 0.306 -0.410 1.00 0.72 N ATOM 914 CA PRO A 61 -14.734 1.119 -1.525 1.00 1.14 C ATOM 915 C PRO A 61 -13.686 1.282 -2.616 1.00 0.88 C ATOM 916 O PRO A 61 -12.633 0.646 -2.578 1.00 1.22 O ATOM 917 CB PRO A 61 -15.071 2.457 -0.873 1.00 1.82 C ATOM 918 CG PRO A 61 -14.211 2.525 0.343 1.00 1.82 C ATOM 919 CD PRO A 61 -13.984 1.109 0.798 1.00 1.17 C ATOM 0 HA PRO A 61 -15.589 0.663 -2.024 1.00 1.14 H new ATOM 0 HB2 PRO A 61 -14.865 3.287 -1.548 1.00 1.82 H new ATOM 0 HB3 PRO A 61 -16.128 2.513 -0.612 1.00 1.82 H new ATOM 0 HG2 PRO A 61 -13.264 3.015 0.119 1.00 1.82 H new ATOM 0 HG3 PRO A 61 -14.695 3.109 1.126 1.00 1.82 H new ATOM 0 HD2 PRO A 61 -12.969 0.966 1.167 1.00 1.17 H new ATOM 0 HD3 PRO A 61 -14.660 0.836 1.609 1.00 1.17 H new ATOM 927 N GLN A 62 -13.977 2.140 -3.586 1.00 0.64 N ATOM 928 CA GLN A 62 -13.054 2.390 -4.685 1.00 0.47 C ATOM 929 C GLN A 62 -11.716 2.910 -4.164 1.00 0.41 C ATOM 930 O GLN A 62 -10.711 2.881 -4.875 1.00 0.47 O ATOM 931 CB GLN A 62 -13.661 3.403 -5.651 1.00 0.69 C ATOM 932 CG GLN A 62 -15.016 2.937 -6.175 1.00 0.85 C ATOM 933 CD GLN A 62 -16.084 3.984 -5.887 1.00 1.34 C ATOM 934 OE1 GLN A 62 -17.129 3.679 -5.311 1.00 2.14 O ATOM 935 NE2 GLN A 62 -15.822 5.223 -6.287 1.00 1.73 N ATOM 0 H GLN A 62 -14.845 2.674 -3.634 1.00 0.64 H new ATOM 0 HA GLN A 62 -12.879 1.449 -5.207 1.00 0.47 H new ATOM 0 HB2 GLN A 62 -13.775 4.363 -5.148 1.00 0.69 H new ATOM 0 HB3 GLN A 62 -12.981 3.561 -6.488 1.00 0.69 H new ATOM 0 HG2 GLN A 62 -14.955 2.755 -7.248 1.00 0.85 H new ATOM 0 HG3 GLN A 62 -15.289 1.991 -5.707 1.00 0.85 H new ATOM 0 HE21 GLN A 62 -14.943 5.431 -6.761 1.00 1.73 H new ATOM 0 HE22 GLN A 62 -16.500 5.967 -6.120 1.00 1.73 H new ATOM 944 N GLY A 63 -11.708 3.394 -2.924 1.00 0.37 N ATOM 945 CA GLY A 63 -10.497 3.931 -2.316 1.00 0.34 C ATOM 946 C GLY A 63 -9.376 2.897 -2.264 1.00 0.27 C ATOM 947 O GLY A 63 -8.214 3.231 -2.496 1.00 0.29 O ATOM 0 H GLY A 63 -12.530 3.424 -2.321 1.00 0.37 H new ATOM 0 HA2 GLY A 63 -10.162 4.800 -2.882 1.00 0.34 H new ATOM 0 HA3 GLY A 63 -10.720 4.275 -1.306 1.00 0.34 H new ATOM 951 N VAL A 64 -9.712 1.648 -1.943 1.00 0.24 N ATOM 952 CA VAL A 64 -8.699 0.600 -1.851 1.00 0.21 C ATOM 953 C VAL A 64 -8.105 0.286 -3.223 1.00 0.24 C ATOM 954 O VAL A 64 -6.893 0.118 -3.357 1.00 0.28 O ATOM 955 CB VAL A 64 -9.270 -0.670 -1.196 1.00 0.24 C ATOM 956 CG1 VAL A 64 -10.078 -1.524 -2.173 1.00 0.30 C ATOM 957 CG2 VAL A 64 -8.137 -1.492 -0.594 1.00 0.26 C ATOM 0 H VAL A 64 -10.664 1.341 -1.745 1.00 0.24 H new ATOM 0 HA VAL A 64 -7.896 0.972 -1.215 1.00 0.21 H new ATOM 0 HB VAL A 64 -9.956 -0.351 -0.412 1.00 0.24 H new ATOM 0 HG11 VAL A 64 -10.457 -2.407 -1.658 1.00 0.30 H new ATOM 0 HG12 VAL A 64 -10.915 -0.942 -2.559 1.00 0.30 H new ATOM 0 HG13 VAL A 64 -9.439 -1.833 -3.000 1.00 0.30 H new ATOM 0 HG21 VAL A 64 -8.545 -2.390 -0.131 1.00 0.26 H new ATOM 0 HG22 VAL A 64 -7.436 -1.775 -1.379 1.00 0.26 H new ATOM 0 HG23 VAL A 64 -7.618 -0.899 0.160 1.00 0.26 H new ATOM 967 N GLN A 65 -8.957 0.208 -4.240 1.00 0.25 N ATOM 968 CA GLN A 65 -8.500 -0.085 -5.594 1.00 0.30 C ATOM 969 C GLN A 65 -7.796 1.126 -6.191 1.00 0.30 C ATOM 970 O GLN A 65 -6.857 0.986 -6.974 1.00 0.34 O ATOM 971 CB GLN A 65 -9.678 -0.487 -6.475 1.00 0.37 C ATOM 972 CG GLN A 65 -10.646 0.673 -6.683 1.00 0.42 C ATOM 973 CD GLN A 65 -11.722 0.292 -7.690 1.00 0.78 C ATOM 974 OE1 GLN A 65 -11.995 -0.889 -7.908 1.00 1.56 O ATOM 975 NE2 GLN A 65 -12.337 1.295 -8.308 1.00 0.82 N ATOM 0 H GLN A 65 -9.964 0.343 -4.153 1.00 0.25 H new ATOM 0 HA GLN A 65 -7.794 -0.914 -5.547 1.00 0.30 H new ATOM 0 HB2 GLN A 65 -9.309 -0.832 -7.441 1.00 0.37 H new ATOM 0 HB3 GLN A 65 -10.206 -1.324 -6.018 1.00 0.37 H new ATOM 0 HG2 GLN A 65 -11.107 0.945 -5.734 1.00 0.42 H new ATOM 0 HG3 GLN A 65 -10.103 1.550 -7.036 1.00 0.42 H new ATOM 0 HE21 GLN A 65 -12.079 2.259 -8.097 1.00 0.82 H new ATOM 0 HE22 GLN A 65 -13.067 1.101 -8.993 1.00 0.82 H new ATOM 984 N GLN A 66 -8.251 2.316 -5.812 1.00 0.29 N ATOM 985 CA GLN A 66 -7.660 3.554 -6.309 1.00 0.31 C ATOM 986 C GLN A 66 -6.237 3.705 -5.792 1.00 0.29 C ATOM 987 O GLN A 66 -5.319 4.015 -6.552 1.00 0.36 O ATOM 988 CB GLN A 66 -8.502 4.749 -5.871 1.00 0.35 C ATOM 989 CG GLN A 66 -9.343 5.293 -7.023 1.00 0.79 C ATOM 990 CD GLN A 66 -9.608 6.781 -6.829 1.00 1.10 C ATOM 991 OE1 GLN A 66 -9.506 7.569 -7.770 1.00 2.03 O ATOM 992 NE2 GLN A 66 -9.950 7.167 -5.606 1.00 1.31 N ATOM 0 H GLN A 66 -9.026 2.449 -5.163 1.00 0.29 H new ATOM 0 HA GLN A 66 -7.636 3.516 -7.398 1.00 0.31 H new ATOM 0 HB2 GLN A 66 -9.155 4.454 -5.050 1.00 0.35 H new ATOM 0 HB3 GLN A 66 -7.850 5.536 -5.492 1.00 0.35 H new ATOM 0 HG2 GLN A 66 -8.826 5.129 -7.968 1.00 0.79 H new ATOM 0 HG3 GLN A 66 -10.288 4.753 -7.079 1.00 0.79 H new ATOM 0 HE21 GLN A 66 -10.023 6.480 -4.856 1.00 1.31 H new ATOM 0 HE22 GLN A 66 -10.140 8.151 -5.416 1.00 1.31 H new ATOM 1001 N ALA A 67 -6.058 3.478 -4.495 1.00 0.26 N ATOM 1002 CA ALA A 67 -4.742 3.582 -3.875 1.00 0.27 C ATOM 1003 C ALA A 67 -3.852 2.434 -4.329 1.00 0.26 C ATOM 1004 O ALA A 67 -2.662 2.619 -4.583 1.00 0.30 O ATOM 1005 CB ALA A 67 -4.878 3.565 -2.355 1.00 0.29 C ATOM 0 H ALA A 67 -6.808 3.221 -3.853 1.00 0.26 H new ATOM 0 HA ALA A 67 -4.285 4.523 -4.181 1.00 0.27 H new ATOM 0 HB1 ALA A 67 -3.890 3.643 -1.900 1.00 0.29 H new ATOM 0 HB2 ALA A 67 -5.492 4.407 -2.035 1.00 0.29 H new ATOM 0 HB3 ALA A 67 -5.349 2.633 -2.042 1.00 0.29 H new ATOM 1011 N LYS A 68 -4.440 1.245 -4.435 1.00 0.25 N ATOM 1012 CA LYS A 68 -3.704 0.062 -4.864 1.00 0.28 C ATOM 1013 C LYS A 68 -3.011 0.325 -6.195 1.00 0.31 C ATOM 1014 O LYS A 68 -1.835 0.005 -6.369 1.00 0.44 O ATOM 1015 CB LYS A 68 -4.657 -1.122 -4.999 1.00 0.32 C ATOM 1016 CG LYS A 68 -3.921 -2.394 -5.409 1.00 0.37 C ATOM 1017 CD LYS A 68 -4.674 -3.150 -6.501 1.00 0.43 C ATOM 1018 CE LYS A 68 -3.734 -3.626 -7.604 1.00 0.57 C ATOM 1019 NZ LYS A 68 -4.492 -4.129 -8.785 1.00 0.88 N ATOM 0 H LYS A 68 -5.425 1.077 -4.229 1.00 0.25 H new ATOM 0 HA LYS A 68 -2.947 -0.171 -4.115 1.00 0.28 H new ATOM 0 HB2 LYS A 68 -5.169 -1.287 -4.051 1.00 0.32 H new ATOM 0 HB3 LYS A 68 -5.423 -0.890 -5.739 1.00 0.32 H new ATOM 0 HG2 LYS A 68 -2.922 -2.139 -5.764 1.00 0.37 H new ATOM 0 HG3 LYS A 68 -3.795 -3.039 -4.539 1.00 0.37 H new ATOM 0 HD2 LYS A 68 -5.187 -4.007 -6.064 1.00 0.43 H new ATOM 0 HD3 LYS A 68 -5.441 -2.504 -6.929 1.00 0.43 H new ATOM 0 HE2 LYS A 68 -3.084 -2.806 -7.909 1.00 0.57 H new ATOM 0 HE3 LYS A 68 -3.090 -4.417 -7.219 1.00 0.57 H new ATOM 0 HZ1 LYS A 68 -3.824 -4.445 -9.517 1.00 0.88 H new ATOM 0 HZ2 LYS A 68 -5.094 -4.927 -8.497 1.00 0.88 H new ATOM 0 HZ3 LYS A 68 -5.088 -3.366 -9.166 1.00 0.88 H new ATOM 1033 N ARG A 69 -3.748 0.912 -7.132 1.00 0.36 N ATOM 1034 CA ARG A 69 -3.212 1.224 -8.450 1.00 0.43 C ATOM 1035 C ARG A 69 -2.304 2.445 -8.378 1.00 0.42 C ATOM 1036 O ARG A 69 -1.355 2.573 -9.153 1.00 0.46 O ATOM 1037 CB ARG A 69 -4.353 1.486 -9.426 1.00 0.50 C ATOM 1038 CG ARG A 69 -3.907 1.302 -10.872 1.00 1.02 C ATOM 1039 CD ARG A 69 -4.933 1.861 -11.853 1.00 1.36 C ATOM 1040 NE ARG A 69 -4.309 2.122 -13.146 1.00 1.81 N ATOM 1041 CZ ARG A 69 -4.596 1.394 -14.220 1.00 2.35 C ATOM 1042 NH1 ARG A 69 -5.821 1.413 -14.729 1.00 2.76 N ATOM 1043 NH2 ARG A 69 -3.659 0.646 -14.787 1.00 2.98 N ATOM 0 H ARG A 69 -4.723 1.182 -7.001 1.00 0.36 H new ATOM 0 HA ARG A 69 -2.628 0.372 -8.800 1.00 0.43 H new ATOM 0 HB2 ARG A 69 -5.180 0.809 -9.211 1.00 0.50 H new ATOM 0 HB3 ARG A 69 -4.727 2.500 -9.286 1.00 0.50 H new ATOM 0 HG2 ARG A 69 -2.949 1.800 -11.024 1.00 1.02 H new ATOM 0 HG3 ARG A 69 -3.751 0.242 -11.073 1.00 1.02 H new ATOM 0 HD2 ARG A 69 -5.753 1.154 -11.974 1.00 1.36 H new ATOM 0 HD3 ARG A 69 -5.362 2.781 -11.456 1.00 1.36 H new ATOM 0 HE ARG A 69 -3.635 2.883 -13.228 1.00 1.81 H new ATOM 0 HH11 ARG A 69 -6.544 1.987 -14.296 1.00 2.76 H new ATOM 0 HH12 ARG A 69 -6.039 0.854 -15.553 1.00 2.76 H new ATOM 0 HH21 ARG A 69 -2.716 0.629 -14.399 1.00 2.98 H new ATOM 0 HH22 ARG A 69 -3.881 0.088 -15.611 1.00 2.98 H new ATOM 1057 N GLU A 70 -2.602 3.340 -7.444 1.00 0.40 N ATOM 1058 CA GLU A 70 -1.818 4.556 -7.267 1.00 0.43 C ATOM 1059 C GLU A 70 -0.377 4.222 -6.897 1.00 0.44 C ATOM 1060 O GLU A 70 0.562 4.719 -7.515 1.00 0.56 O ATOM 1061 CB GLU A 70 -2.442 5.423 -6.178 1.00 0.44 C ATOM 1062 CG GLU A 70 -2.199 6.908 -6.434 1.00 0.59 C ATOM 1063 CD GLU A 70 -2.796 7.319 -7.774 1.00 0.82 C ATOM 1064 OE1 GLU A 70 -3.858 6.777 -8.143 1.00 1.38 O ATOM 1065 OE2 GLU A 70 -2.201 8.183 -8.450 1.00 1.50 O ATOM 0 H GLU A 70 -3.384 3.246 -6.795 1.00 0.40 H new ATOM 0 HA GLU A 70 -1.816 5.103 -8.210 1.00 0.43 H new ATOM 0 HB2 GLU A 70 -3.514 5.232 -6.130 1.00 0.44 H new ATOM 0 HB3 GLU A 70 -2.025 5.147 -5.209 1.00 0.44 H new ATOM 0 HG2 GLU A 70 -2.644 7.499 -5.634 1.00 0.59 H new ATOM 0 HG3 GLU A 70 -1.129 7.115 -6.426 1.00 0.59 H new ATOM 1072 N LEU A 71 -0.212 3.378 -5.883 1.00 0.40 N ATOM 1073 CA LEU A 71 1.115 2.980 -5.426 1.00 0.47 C ATOM 1074 C LEU A 71 1.804 2.101 -6.463 1.00 0.52 C ATOM 1075 O LEU A 71 2.947 2.352 -6.844 1.00 0.60 O ATOM 1076 CB LEU A 71 1.005 2.227 -4.104 1.00 0.51 C ATOM 1077 CG LEU A 71 0.556 3.144 -2.970 1.00 0.78 C ATOM 1078 CD1 LEU A 71 -0.855 2.783 -2.513 1.00 1.08 C ATOM 1079 CD2 LEU A 71 1.536 3.076 -1.801 1.00 1.15 C ATOM 0 H LEU A 71 -0.981 2.956 -5.362 1.00 0.40 H new ATOM 0 HA LEU A 71 1.713 3.880 -5.283 1.00 0.47 H new ATOM 0 HB2 LEU A 71 0.296 1.406 -4.211 1.00 0.51 H new ATOM 0 HB3 LEU A 71 1.970 1.785 -3.855 1.00 0.51 H new ATOM 0 HG LEU A 71 0.542 4.168 -3.344 1.00 0.78 H new ATOM 0 HD11 LEU A 71 -1.157 3.448 -1.704 1.00 1.08 H new ATOM 0 HD12 LEU A 71 -1.547 2.891 -3.348 1.00 1.08 H new ATOM 0 HD13 LEU A 71 -0.870 1.752 -2.160 1.00 1.08 H new ATOM 0 HD21 LEU A 71 1.197 3.737 -1.003 1.00 1.15 H new ATOM 0 HD22 LEU A 71 1.587 2.053 -1.428 1.00 1.15 H new ATOM 0 HD23 LEU A 71 2.525 3.389 -2.136 1.00 1.15 H new ATOM 1091 N LEU A 72 1.104 1.065 -6.910 1.00 0.52 N ATOM 1092 CA LEU A 72 1.644 0.138 -7.897 1.00 0.63 C ATOM 1093 C LEU A 72 2.221 0.883 -9.096 1.00 0.67 C ATOM 1094 O LEU A 72 3.178 0.421 -9.719 1.00 0.83 O ATOM 1095 CB LEU A 72 0.550 -0.818 -8.362 1.00 0.66 C ATOM 1096 CG LEU A 72 1.100 -2.218 -8.616 1.00 0.88 C ATOM 1097 CD1 LEU A 72 -0.024 -3.249 -8.613 1.00 1.04 C ATOM 1098 CD2 LEU A 72 1.868 -2.262 -9.934 1.00 1.99 C ATOM 0 H LEU A 72 0.157 0.845 -6.603 1.00 0.52 H new ATOM 0 HA LEU A 72 2.449 -0.427 -7.427 1.00 0.63 H new ATOM 0 HB2 LEU A 72 -0.236 -0.866 -7.609 1.00 0.66 H new ATOM 0 HB3 LEU A 72 0.094 -0.434 -9.275 1.00 0.66 H new ATOM 0 HG LEU A 72 1.790 -2.465 -7.809 1.00 0.88 H new ATOM 0 HD11 LEU A 72 0.391 -4.240 -8.796 1.00 1.04 H new ATOM 0 HD12 LEU A 72 -0.525 -3.238 -7.645 1.00 1.04 H new ATOM 0 HD13 LEU A 72 -0.742 -3.006 -9.396 1.00 1.04 H new ATOM 0 HD21 LEU A 72 2.253 -3.269 -10.098 1.00 1.99 H new ATOM 0 HD22 LEU A 72 1.202 -1.991 -10.753 1.00 1.99 H new ATOM 0 HD23 LEU A 72 2.699 -1.558 -9.894 1.00 1.99 H new ATOM 1110 N GLU A 73 1.634 2.029 -9.424 1.00 0.64 N ATOM 1111 CA GLU A 73 2.093 2.826 -10.557 1.00 0.74 C ATOM 1112 C GLU A 73 2.806 4.087 -10.085 1.00 0.71 C ATOM 1113 O GLU A 73 4.035 4.146 -10.060 1.00 0.88 O ATOM 1114 CB GLU A 73 0.909 3.206 -11.443 1.00 0.82 C ATOM 1115 CG GLU A 73 0.404 2.014 -12.251 1.00 1.00 C ATOM 1116 CD GLU A 73 1.360 1.705 -13.395 1.00 1.41 C ATOM 1117 OE1 GLU A 73 1.342 2.442 -14.403 1.00 2.05 O ATOM 1118 OE2 GLU A 73 2.126 0.725 -13.281 1.00 2.01 O ATOM 0 H GLU A 73 0.840 2.427 -8.922 1.00 0.64 H new ATOM 0 HA GLU A 73 2.798 2.225 -11.131 1.00 0.74 H new ATOM 0 HB2 GLU A 73 0.101 3.595 -10.823 1.00 0.82 H new ATOM 0 HB3 GLU A 73 1.204 4.007 -12.121 1.00 0.82 H new ATOM 0 HG2 GLU A 73 0.308 1.142 -11.604 1.00 1.00 H new ATOM 0 HG3 GLU A 73 -0.589 2.229 -12.646 1.00 1.00 H new ATOM 1125 N LEU A 74 2.027 5.098 -9.718 1.00 0.64 N ATOM 1126 CA LEU A 74 2.577 6.367 -9.254 1.00 0.71 C ATOM 1127 C LEU A 74 3.558 6.148 -8.108 1.00 0.82 C ATOM 1128 O LEU A 74 4.528 6.892 -7.961 1.00 1.13 O ATOM 1129 CB LEU A 74 1.449 7.292 -8.801 1.00 0.85 C ATOM 1130 CG LEU A 74 0.370 7.447 -9.875 1.00 0.99 C ATOM 1131 CD1 LEU A 74 -0.655 8.499 -9.460 1.00 1.19 C ATOM 1132 CD2 LEU A 74 0.989 7.803 -11.225 1.00 1.32 C ATOM 0 H LEU A 74 1.008 5.063 -9.733 1.00 0.64 H new ATOM 0 HA LEU A 74 3.113 6.830 -10.083 1.00 0.71 H new ATOM 0 HB2 LEU A 74 1.000 6.897 -7.890 1.00 0.85 H new ATOM 0 HB3 LEU A 74 1.860 8.271 -8.555 1.00 0.85 H new ATOM 0 HG LEU A 74 -0.141 6.490 -9.980 1.00 0.99 H new ATOM 0 HD11 LEU A 74 -1.414 8.594 -10.237 1.00 1.19 H new ATOM 0 HD12 LEU A 74 -1.128 8.197 -8.526 1.00 1.19 H new ATOM 0 HD13 LEU A 74 -0.156 9.458 -9.321 1.00 1.19 H new ATOM 0 HD21 LEU A 74 0.201 7.907 -11.971 1.00 1.32 H new ATOM 0 HD22 LEU A 74 1.534 8.743 -11.139 1.00 1.32 H new ATOM 0 HD23 LEU A 74 1.675 7.013 -11.530 1.00 1.32 H new ATOM 1144 N ALA A 75 3.302 5.128 -7.298 1.00 0.78 N ATOM 1145 CA ALA A 75 4.167 4.820 -6.165 1.00 0.99 C ATOM 1146 C ALA A 75 4.323 6.039 -5.263 1.00 1.70 C ATOM 1147 O ALA A 75 5.321 6.175 -4.555 1.00 2.16 O ATOM 1148 CB ALA A 75 5.537 4.366 -6.663 1.00 1.14 C ATOM 0 H ALA A 75 2.504 4.501 -7.404 1.00 0.78 H new ATOM 0 HA ALA A 75 3.709 4.016 -5.589 1.00 0.99 H new ATOM 0 HB1 ALA A 75 6.177 4.138 -5.810 1.00 1.14 H new ATOM 0 HB2 ALA A 75 5.423 3.475 -7.280 1.00 1.14 H new ATOM 0 HB3 ALA A 75 5.991 5.161 -7.255 1.00 1.14 H new ATOM 1154 N SER A 76 3.332 6.925 -5.295 1.00 2.17 N ATOM 1155 CA SER A 76 3.359 8.134 -4.479 1.00 3.01 C ATOM 1156 C SER A 76 2.129 8.990 -4.751 1.00 3.57 C ATOM 1157 O SER A 76 1.314 9.173 -3.823 1.00 4.23 O ATOM 1158 CB SER A 76 4.624 8.936 -4.775 1.00 3.63 C ATOM 1159 OG SER A 76 5.445 9.008 -3.618 1.00 4.36 O ATOM 1160 OXT SER A 76 1.981 9.474 -5.893 1.00 3.89 O ATOM 0 H SER A 76 2.500 6.828 -5.877 1.00 2.17 H new ATOM 0 HA SER A 76 3.356 7.843 -3.429 1.00 3.01 H new ATOM 0 HB2 SER A 76 5.175 8.470 -5.592 1.00 3.63 H new ATOM 0 HB3 SER A 76 4.357 9.941 -5.103 1.00 3.63 H new ATOM 0 HG SER A 76 5.764 8.111 -3.387 1.00 4.36 H new TER 1166 SER A 76