USER MOD reduce.3.24.130724 H: found=0, std=0, add=791, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 792 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 ASN : amide:sc= -2 X(o=-1.8,f=-1.5!) USER MOD Set 1.2: A 81 THR OG1 : rot -110:sc= 0.236 USER MOD Set 2.1: A 31 HIS : no HD1:sc= -0.0403 X(o=-1.7,f=-2) USER MOD Set 2.2: A 35 ASN : amide:sc= -1.62 X(o=-1.7,f=-2.1!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 ASN : amide:sc= -3.38 K(o=-3.4,f=-15!) USER MOD Single : A 13 GLN : amide:sc= -2.14 K(o=-2.1,f=-6.1!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 ASN : amide:sc= -0.113 X(o=-0.11,f=-0.43) USER MOD Single : A 20 HIS : no HD1:sc= -13.6! C(o=-14!,f=-15!) USER MOD Single : A 21 LYS NZ :NH3+ 143:sc= -0.813 (180deg=-2.9!) USER MOD Single : A 24 HIS : no HD1:sc= -0.0381 K(o=-0.038,f=-0.65) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 K(o=0,f=-0.99) USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.14) USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0.26) USER MOD Single : A 45 HIS : no HD1:sc= -3.16 K(o=-3.2,f=-3.7!) USER MOD Single : A 48 MET CE :methyl 143:sc= -5.09! (180deg=-8.3!) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -134:sc= -3.27 (180deg=-8.07!) USER MOD Single : A 58 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 60 MET CE :methyl 164:sc= -4.5! (180deg=-5.67!) USER MOD Single : A 61 MET CE :methyl -148:sc= -1.93 (180deg=-5.39!) USER MOD Single : A 62 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.015) USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN : amide:sc= -2.57 K(o=-2.6,f=-5.3!) USER MOD Single : A 72 ASN : amide:sc= -0.242 K(o=-0.24,f=-1.5) USER MOD Single : A 73 ASN : amide:sc= 0.791 K(o=0.79,f=-0.46) USER MOD Single : A 74 HIS : no HD1:sc= -0.824 K(o=-0.82,f=-1.8) USER MOD Single : A 76 GLN : amide:sc= 0.0805 K(o=0.081,f=-0.51) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= 0.163 K(o=0.16,f=-0.75) USER MOD Single : A 83 HIS : no HD1:sc= -0.0726 K(o=-0.073,f=-0.66) USER MOD Single : A 84 HIS : no HD1:sc= 0 X(o=0,f=-0.029) USER MOD Single : A 87 GLN : amide:sc= -2.37 K(o=-2.4,f=-3.4!) USER MOD Single : A 88 ASN : amide:sc= -0.283 X(o=-0.28,f=-0.0056) USER MOD Single : A 90 LYS NZ :NH3+ 166:sc=-0.00123 (180deg=-0.0465) USER MOD Single : A 94 HIS : no HD1:sc= -0.319 X(o=-0.32,f=-0.54) USER MOD Single : A 95 HIS : no HE2:sc= -0.42 X(o=-0.42,f=-0.43) USER MOD Single : A 101 HIS : no HD1:sc=-0.000631 X(o=-0.00063,f=-0.056) USER MOD ----------------------------------------------------------------- ATOM 41 N GLY A 3 -0.920 -16.273 5.161 1.00 0.00 N ATOM 42 CA GLY A 3 -1.783 -15.345 5.865 1.00 0.00 C ATOM 43 C GLY A 3 -1.011 -14.325 6.674 1.00 0.00 C ATOM 44 O GLY A 3 -1.396 -13.158 6.743 1.00 0.00 O ATOM 0 HA2 GLY A 3 -2.416 -14.827 5.145 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -2.445 -15.903 6.528 1.00 0.00 H new ATOM 48 N LYS A 4 0.082 -14.760 7.291 1.00 0.00 N ATOM 49 CA LYS A 4 0.902 -13.865 8.099 1.00 0.00 C ATOM 50 C LYS A 4 1.499 -12.757 7.259 1.00 0.00 C ATOM 51 O LYS A 4 1.912 -11.726 7.791 1.00 0.00 O ATOM 52 CB LYS A 4 2.012 -14.638 8.811 1.00 0.00 C ATOM 53 CG LYS A 4 2.705 -13.841 9.905 1.00 0.00 C ATOM 54 CD LYS A 4 1.810 -13.666 11.121 1.00 0.00 C ATOM 55 CE LYS A 4 2.442 -12.741 12.148 1.00 0.00 C ATOM 56 NZ LYS A 4 1.735 -12.798 13.458 1.00 0.00 N ATOM 0 H LYS A 4 0.419 -15.722 7.248 1.00 0.00 H new ATOM 0 HA LYS A 4 0.252 -13.414 8.848 1.00 0.00 H new ATOM 0 HB2 LYS A 4 1.591 -15.545 9.245 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.754 -14.951 8.076 1.00 0.00 H new ATOM 0 HG2 LYS A 4 3.624 -14.348 10.199 1.00 0.00 H new ATOM 0 HG3 LYS A 4 2.990 -12.863 9.518 1.00 0.00 H new ATOM 0 HD2 LYS A 4 0.846 -13.262 10.810 1.00 0.00 H new ATOM 0 HD3 LYS A 4 1.617 -14.638 11.575 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.488 -13.015 12.288 1.00 0.00 H new ATOM 0 HE3 LYS A 4 2.428 -11.718 11.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.197 -12.153 14.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 0.743 -12.512 13.330 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 1.770 -13.769 13.830 1.00 0.00 H new ATOM 70 N LEU A 5 1.513 -12.939 5.942 1.00 0.00 N ATOM 71 CA LEU A 5 2.030 -11.902 5.067 1.00 0.00 C ATOM 72 C LEU A 5 1.326 -10.588 5.385 1.00 0.00 C ATOM 73 O LEU A 5 1.853 -9.506 5.129 1.00 0.00 O ATOM 74 CB LEU A 5 1.826 -12.270 3.595 1.00 0.00 C ATOM 75 CG LEU A 5 2.929 -11.781 2.652 1.00 0.00 C ATOM 76 CD1 LEU A 5 3.274 -10.329 2.942 1.00 0.00 C ATOM 77 CD2 LEU A 5 4.166 -12.660 2.783 1.00 0.00 C ATOM 0 H LEU A 5 1.179 -13.778 5.468 1.00 0.00 H new ATOM 0 HA LEU A 5 3.102 -11.798 5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 5 1.752 -13.354 3.513 1.00 0.00 H new ATOM 0 HB3 LEU A 5 0.873 -11.859 3.261 1.00 0.00 H new ATOM 0 HG LEU A 5 2.563 -11.848 1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 5 4.060 -9.999 2.262 1.00 0.00 H new ATOM 0 HD12 LEU A 5 2.388 -9.709 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 5 3.622 -10.236 3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 5 4.941 -12.300 2.107 1.00 0.00 H new ATOM 0 HD22 LEU A 5 4.533 -12.622 3.809 1.00 0.00 H new ATOM 0 HD23 LEU A 5 3.910 -13.688 2.527 1.00 0.00 H new ATOM 89 N ASN A 6 0.128 -10.701 5.967 1.00 0.00 N ATOM 90 CA ASN A 6 -0.647 -9.536 6.343 1.00 0.00 C ATOM 91 C ASN A 6 0.103 -8.693 7.365 1.00 0.00 C ATOM 92 O ASN A 6 0.090 -7.464 7.299 1.00 0.00 O ATOM 93 CB ASN A 6 -2.009 -9.946 6.897 1.00 0.00 C ATOM 94 CG ASN A 6 -1.897 -10.842 8.114 1.00 0.00 C ATOM 95 OD1 ASN A 6 -0.833 -11.392 8.399 1.00 0.00 O ATOM 96 ND2 ASN A 6 -2.999 -10.995 8.841 1.00 0.00 N ATOM 0 H ASN A 6 -0.318 -11.592 6.184 1.00 0.00 H new ATOM 0 HA ASN A 6 -0.804 -8.936 5.447 1.00 0.00 H new ATOM 0 HB2 ASN A 6 -2.575 -9.052 7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -2.572 -10.463 6.120 1.00 0.00 H new ATOM 0 HD21 ASN A 6 -2.984 -11.587 9.671 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -3.860 -10.520 8.568 1.00 0.00 H new ATOM 103 N ASP A 7 0.769 -9.360 8.306 1.00 0.00 N ATOM 104 CA ASP A 7 1.537 -8.663 9.334 1.00 0.00 C ATOM 105 C ASP A 7 2.459 -7.631 8.693 1.00 0.00 C ATOM 106 O ASP A 7 2.768 -6.598 9.288 1.00 0.00 O ATOM 107 CB ASP A 7 2.355 -9.659 10.157 1.00 0.00 C ATOM 108 CG ASP A 7 2.664 -9.144 11.550 1.00 0.00 C ATOM 109 OD1 ASP A 7 3.705 -8.475 11.718 1.00 0.00 O ATOM 110 OD2 ASP A 7 1.865 -9.410 12.472 1.00 0.00 O ATOM 0 H ASP A 7 0.792 -10.377 8.377 1.00 0.00 H new ATOM 0 HA ASP A 7 0.841 -8.151 9.999 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.808 -10.599 10.233 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.288 -9.875 9.637 1.00 0.00 H new ATOM 115 N LEU A 8 2.882 -7.919 7.467 1.00 0.00 N ATOM 116 CA LEU A 8 3.755 -7.023 6.724 1.00 0.00 C ATOM 117 C LEU A 8 2.929 -6.002 5.950 1.00 0.00 C ATOM 118 O LEU A 8 3.377 -4.880 5.709 1.00 0.00 O ATOM 119 CB LEU A 8 4.643 -7.824 5.764 1.00 0.00 C ATOM 120 CG LEU A 8 5.487 -6.993 4.790 1.00 0.00 C ATOM 121 CD1 LEU A 8 4.646 -6.529 3.610 1.00 0.00 C ATOM 122 CD2 LEU A 8 6.119 -5.803 5.501 1.00 0.00 C ATOM 0 H LEU A 8 2.632 -8.771 6.966 1.00 0.00 H new ATOM 0 HA LEU A 8 4.393 -6.492 7.430 1.00 0.00 H new ATOM 0 HB2 LEU A 8 5.313 -8.449 6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 8 4.008 -8.495 5.185 1.00 0.00 H new ATOM 0 HG LEU A 8 6.288 -7.627 4.410 1.00 0.00 H new ATOM 0 HD11 LEU A 8 5.264 -5.941 2.931 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.251 -7.396 3.081 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.820 -5.916 3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 8 6.713 -5.228 4.790 1.00 0.00 H new ATOM 0 HD22 LEU A 8 5.335 -5.169 5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.761 -6.159 6.306 1.00 0.00 H new ATOM 134 N LEU A 9 1.718 -6.397 5.564 1.00 0.00 N ATOM 135 CA LEU A 9 0.829 -5.514 4.820 1.00 0.00 C ATOM 136 C LEU A 9 0.369 -4.352 5.698 1.00 0.00 C ATOM 137 O LEU A 9 0.190 -3.231 5.224 1.00 0.00 O ATOM 138 CB LEU A 9 -0.386 -6.291 4.312 1.00 0.00 C ATOM 139 CG LEU A 9 -0.229 -6.902 2.920 1.00 0.00 C ATOM 140 CD1 LEU A 9 -1.374 -7.860 2.628 1.00 0.00 C ATOM 141 CD2 LEU A 9 -0.162 -5.809 1.863 1.00 0.00 C ATOM 0 H LEU A 9 1.332 -7.322 5.755 1.00 0.00 H new ATOM 0 HA LEU A 9 1.379 -5.114 3.968 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -0.609 -7.090 5.019 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -1.247 -5.623 4.304 1.00 0.00 H new ATOM 0 HG LEU A 9 0.705 -7.464 2.892 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -1.247 -8.286 1.633 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -1.377 -8.660 3.368 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -2.320 -7.321 2.674 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -0.050 -6.262 0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -1.079 -5.220 1.890 1.00 0.00 H new ATOM 0 HD23 LEU A 9 0.691 -5.161 2.063 1.00 0.00 H new ATOM 153 N GLU A 10 0.171 -4.636 6.982 1.00 0.00 N ATOM 154 CA GLU A 10 -0.278 -3.627 7.938 1.00 0.00 C ATOM 155 C GLU A 10 0.595 -2.375 7.888 1.00 0.00 C ATOM 156 O GLU A 10 0.086 -1.255 7.836 1.00 0.00 O ATOM 157 CB GLU A 10 -0.278 -4.208 9.354 1.00 0.00 C ATOM 158 CG GLU A 10 -1.600 -4.036 10.084 1.00 0.00 C ATOM 159 CD GLU A 10 -2.028 -5.291 10.819 1.00 0.00 C ATOM 160 OE1 GLU A 10 -2.524 -6.227 10.156 1.00 0.00 O ATOM 161 OE2 GLU A 10 -1.867 -5.339 12.056 1.00 0.00 O ATOM 0 H GLU A 10 0.315 -5.561 7.387 1.00 0.00 H new ATOM 0 HA GLU A 10 -1.292 -3.338 7.663 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -0.037 -5.270 9.302 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.512 -3.730 9.933 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -1.514 -3.214 10.795 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -2.373 -3.758 9.368 1.00 0.00 H new ATOM 168 N ASP A 11 1.910 -2.570 7.909 1.00 0.00 N ATOM 169 CA ASP A 11 2.852 -1.454 7.870 1.00 0.00 C ATOM 170 C ASP A 11 2.508 -0.478 6.747 1.00 0.00 C ATOM 171 O ASP A 11 2.490 0.735 6.949 1.00 0.00 O ATOM 172 CB ASP A 11 4.280 -1.975 7.690 1.00 0.00 C ATOM 173 CG ASP A 11 5.276 -1.246 8.570 1.00 0.00 C ATOM 174 OD1 ASP A 11 5.271 0.003 8.564 1.00 0.00 O ATOM 175 OD2 ASP A 11 6.061 -1.924 9.267 1.00 0.00 O ATOM 0 H ASP A 11 2.348 -3.490 7.953 1.00 0.00 H new ATOM 0 HA ASP A 11 2.780 -0.920 8.818 1.00 0.00 H new ATOM 0 HB2 ASP A 11 4.307 -3.040 7.920 1.00 0.00 H new ATOM 0 HB3 ASP A 11 4.574 -1.867 6.646 1.00 0.00 H new ATOM 180 N LEU A 12 2.238 -1.020 5.565 1.00 0.00 N ATOM 181 CA LEU A 12 1.895 -0.211 4.404 1.00 0.00 C ATOM 182 C LEU A 12 0.706 0.694 4.708 1.00 0.00 C ATOM 183 O LEU A 12 0.797 1.914 4.604 1.00 0.00 O ATOM 184 CB LEU A 12 1.610 -1.123 3.188 1.00 0.00 C ATOM 185 CG LEU A 12 0.229 -0.983 2.512 1.00 0.00 C ATOM 186 CD1 LEU A 12 0.376 -0.906 1.000 1.00 0.00 C ATOM 187 CD2 LEU A 12 -0.675 -2.147 2.890 1.00 0.00 C ATOM 0 H LEU A 12 2.251 -2.024 5.386 1.00 0.00 H new ATOM 0 HA LEU A 12 2.742 0.430 4.159 1.00 0.00 H new ATOM 0 HB2 LEU A 12 2.376 -0.933 2.436 1.00 0.00 H new ATOM 0 HB3 LEU A 12 1.727 -2.159 3.507 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.227 -0.058 2.866 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -0.609 -0.808 0.543 1.00 0.00 H new ATOM 0 HD12 LEU A 12 0.986 -0.042 0.737 1.00 0.00 H new ATOM 0 HD13 LEU A 12 0.856 -1.814 0.634 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.643 -2.029 2.403 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.218 -3.082 2.567 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.812 -2.165 3.971 1.00 0.00 H new ATOM 199 N GLN A 13 -0.411 0.085 5.079 1.00 0.00 N ATOM 200 CA GLN A 13 -1.623 0.837 5.384 1.00 0.00 C ATOM 201 C GLN A 13 -1.366 1.894 6.454 1.00 0.00 C ATOM 202 O GLN A 13 -1.904 3.000 6.386 1.00 0.00 O ATOM 203 CB GLN A 13 -2.738 -0.109 5.836 1.00 0.00 C ATOM 204 CG GLN A 13 -4.068 0.587 6.073 1.00 0.00 C ATOM 205 CD GLN A 13 -5.083 -0.312 6.752 1.00 0.00 C ATOM 206 OE1 GLN A 13 -5.191 -1.497 6.434 1.00 0.00 O ATOM 207 NE2 GLN A 13 -5.835 0.248 7.693 1.00 0.00 N ATOM 0 H GLN A 13 -0.505 -0.926 5.176 1.00 0.00 H new ATOM 0 HA GLN A 13 -1.936 1.347 4.473 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -2.873 -0.885 5.082 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -2.430 -0.608 6.755 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.906 1.474 6.686 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.471 0.928 5.119 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -5.712 1.234 7.925 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -6.536 -0.308 8.184 1.00 0.00 H new ATOM 216 N GLU A 14 -0.535 1.554 7.432 1.00 0.00 N ATOM 217 CA GLU A 14 -0.203 2.485 8.504 1.00 0.00 C ATOM 218 C GLU A 14 0.786 3.525 8.007 1.00 0.00 C ATOM 219 O GLU A 14 0.835 4.645 8.517 1.00 0.00 O ATOM 220 CB GLU A 14 0.379 1.734 9.704 1.00 0.00 C ATOM 221 CG GLU A 14 -0.625 0.833 10.405 1.00 0.00 C ATOM 222 CD GLU A 14 -0.108 0.301 11.726 1.00 0.00 C ATOM 223 OE1 GLU A 14 1.006 -0.265 11.743 1.00 0.00 O ATOM 224 OE2 GLU A 14 -0.816 0.449 12.745 1.00 0.00 O ATOM 0 H GLU A 14 -0.080 0.644 7.505 1.00 0.00 H new ATOM 0 HA GLU A 14 -1.116 2.990 8.820 1.00 0.00 H new ATOM 0 HB2 GLU A 14 1.224 1.131 9.370 1.00 0.00 H new ATOM 0 HB3 GLU A 14 0.767 2.457 10.421 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -1.547 1.388 10.577 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -0.874 -0.004 9.753 1.00 0.00 H new ATOM 231 N VAL A 15 1.565 3.153 6.999 1.00 0.00 N ATOM 232 CA VAL A 15 2.538 4.062 6.428 1.00 0.00 C ATOM 233 C VAL A 15 1.836 5.179 5.666 1.00 0.00 C ATOM 234 O VAL A 15 2.360 6.286 5.542 1.00 0.00 O ATOM 235 CB VAL A 15 3.543 3.313 5.517 1.00 0.00 C ATOM 236 CG1 VAL A 15 3.097 3.249 4.056 1.00 0.00 C ATOM 237 CG2 VAL A 15 4.913 3.949 5.634 1.00 0.00 C ATOM 0 H VAL A 15 1.539 2.231 6.565 1.00 0.00 H new ATOM 0 HA VAL A 15 3.107 4.506 7.245 1.00 0.00 H new ATOM 0 HB VAL A 15 3.586 2.281 5.865 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.844 2.712 3.471 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.141 2.729 3.990 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.988 4.260 3.664 1.00 0.00 H new ATOM 0 HG21 VAL A 15 5.616 3.419 4.992 1.00 0.00 H new ATOM 0 HG22 VAL A 15 4.857 4.993 5.327 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.253 3.893 6.668 1.00 0.00 H new ATOM 247 N LEU A 16 0.639 4.882 5.167 1.00 0.00 N ATOM 248 CA LEU A 16 -0.141 5.863 4.432 1.00 0.00 C ATOM 249 C LEU A 16 -0.491 7.040 5.335 1.00 0.00 C ATOM 250 O LEU A 16 -0.440 8.192 4.909 1.00 0.00 O ATOM 251 CB LEU A 16 -1.419 5.232 3.870 1.00 0.00 C ATOM 252 CG LEU A 16 -1.260 4.508 2.528 1.00 0.00 C ATOM 253 CD1 LEU A 16 -0.498 5.368 1.537 1.00 0.00 C ATOM 254 CD2 LEU A 16 -0.553 3.179 2.721 1.00 0.00 C ATOM 0 H LEU A 16 0.192 3.970 5.260 1.00 0.00 H new ATOM 0 HA LEU A 16 0.460 6.222 3.597 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -1.806 4.523 4.602 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.170 6.014 3.755 1.00 0.00 H new ATOM 0 HG LEU A 16 -2.255 4.320 2.126 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -0.398 4.833 0.593 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -1.040 6.299 1.371 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.492 5.591 1.935 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.449 2.679 1.758 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.434 3.351 3.149 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.136 2.551 3.395 1.00 0.00 H new ATOM 266 N LYS A 17 -0.836 6.741 6.591 1.00 0.00 N ATOM 267 CA LYS A 17 -1.185 7.778 7.563 1.00 0.00 C ATOM 268 C LYS A 17 -0.243 8.970 7.435 1.00 0.00 C ATOM 269 O LYS A 17 -0.665 10.124 7.509 1.00 0.00 O ATOM 270 CB LYS A 17 -1.129 7.219 8.987 1.00 0.00 C ATOM 271 CG LYS A 17 -1.527 8.230 10.052 1.00 0.00 C ATOM 272 CD LYS A 17 -0.322 8.721 10.841 1.00 0.00 C ATOM 273 CE LYS A 17 -0.171 10.231 10.749 1.00 0.00 C ATOM 274 NZ LYS A 17 1.224 10.668 11.030 1.00 0.00 N ATOM 0 H LYS A 17 -0.881 5.790 6.957 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.202 8.111 7.356 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.788 6.353 9.055 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.118 6.867 9.191 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -2.024 9.078 9.581 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.248 7.777 10.733 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.426 8.428 11.886 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.581 8.241 10.464 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -0.462 10.565 9.753 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -0.850 10.707 11.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 1.285 11.704 10.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.494 10.372 11.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.869 10.234 10.340 1.00 0.00 H new ATOM 288 N ASN A 18 1.033 8.675 7.215 1.00 0.00 N ATOM 289 CA ASN A 18 2.039 9.719 7.044 1.00 0.00 C ATOM 290 C ASN A 18 1.826 10.417 5.708 1.00 0.00 C ATOM 291 O ASN A 18 1.822 11.644 5.619 1.00 0.00 O ATOM 292 CB ASN A 18 3.447 9.119 7.094 1.00 0.00 C ATOM 293 CG ASN A 18 4.238 9.597 8.295 1.00 0.00 C ATOM 294 OD1 ASN A 18 4.182 10.771 8.663 1.00 0.00 O ATOM 295 ND2 ASN A 18 4.982 8.688 8.914 1.00 0.00 N ATOM 0 H ASN A 18 1.396 7.724 7.151 1.00 0.00 H new ATOM 0 HA ASN A 18 1.938 10.441 7.854 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.375 8.032 7.120 1.00 0.00 H new ATOM 0 HB3 ASN A 18 3.983 9.381 6.182 1.00 0.00 H new ATOM 0 HD21 ASN A 18 5.537 8.952 9.728 1.00 0.00 H new ATOM 0 HD22 ASN A 18 4.999 7.726 8.575 1.00 0.00 H new ATOM 302 N LEU A 19 1.644 9.604 4.677 1.00 0.00 N ATOM 303 CA LEU A 19 1.421 10.087 3.323 1.00 0.00 C ATOM 304 C LEU A 19 0.358 11.189 3.291 1.00 0.00 C ATOM 305 O LEU A 19 0.500 12.178 2.574 1.00 0.00 O ATOM 306 CB LEU A 19 1.028 8.891 2.436 1.00 0.00 C ATOM 307 CG LEU A 19 -0.190 9.072 1.524 1.00 0.00 C ATOM 308 CD1 LEU A 19 -0.033 8.240 0.261 1.00 0.00 C ATOM 309 CD2 LEU A 19 -1.461 8.678 2.249 1.00 0.00 C ATOM 0 H LEU A 19 1.647 8.587 4.757 1.00 0.00 H new ATOM 0 HA LEU A 19 2.337 10.535 2.939 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.884 8.637 1.811 1.00 0.00 H new ATOM 0 HB3 LEU A 19 0.841 8.035 3.085 1.00 0.00 H new ATOM 0 HG LEU A 19 -0.258 10.124 1.248 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.906 8.379 -0.377 1.00 0.00 H new ATOM 0 HD12 LEU A 19 0.862 8.557 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.058 7.187 0.528 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -2.315 8.813 1.586 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.398 7.633 2.551 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -1.585 9.304 3.132 1.00 0.00 H new ATOM 321 N HIS A 20 -0.703 11.011 4.071 1.00 0.00 N ATOM 322 CA HIS A 20 -1.792 11.986 4.129 1.00 0.00 C ATOM 323 C HIS A 20 -1.279 13.398 4.413 1.00 0.00 C ATOM 324 O HIS A 20 -1.800 14.376 3.877 1.00 0.00 O ATOM 325 CB HIS A 20 -2.795 11.607 5.228 1.00 0.00 C ATOM 326 CG HIS A 20 -3.622 10.388 4.955 1.00 0.00 C ATOM 327 ND1 HIS A 20 -4.935 10.450 4.535 1.00 0.00 N ATOM 328 CD2 HIS A 20 -3.338 9.072 5.098 1.00 0.00 C ATOM 329 CE1 HIS A 20 -5.422 9.226 4.437 1.00 0.00 C ATOM 330 NE2 HIS A 20 -4.472 8.372 4.771 1.00 0.00 N ATOM 0 H HIS A 20 -0.834 10.199 4.674 1.00 0.00 H new ATOM 0 HA HIS A 20 -2.276 11.974 3.152 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -2.247 11.452 6.158 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -3.466 12.451 5.390 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -2.394 8.651 5.411 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -6.426 8.968 4.135 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -4.566 7.356 4.784 1.00 0.00 H new ATOM 339 N LYS A 21 -0.290 13.499 5.291 1.00 0.00 N ATOM 340 CA LYS A 21 0.254 14.796 5.686 1.00 0.00 C ATOM 341 C LYS A 21 1.360 15.292 4.762 1.00 0.00 C ATOM 342 O LYS A 21 1.972 16.325 5.035 1.00 0.00 O ATOM 343 CB LYS A 21 0.785 14.719 7.116 1.00 0.00 C ATOM 344 CG LYS A 21 -0.105 13.917 8.045 1.00 0.00 C ATOM 345 CD LYS A 21 -1.455 14.594 8.241 1.00 0.00 C ATOM 346 CE LYS A 21 -2.415 14.279 7.102 1.00 0.00 C ATOM 347 NZ LYS A 21 -3.831 14.247 7.561 1.00 0.00 N ATOM 0 H LYS A 21 0.153 12.700 5.744 1.00 0.00 H new ATOM 0 HA LYS A 21 -0.565 15.512 5.616 1.00 0.00 H new ATOM 0 HB2 LYS A 21 1.780 14.273 7.103 1.00 0.00 H new ATOM 0 HB3 LYS A 21 0.893 15.729 7.511 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -0.253 12.917 7.637 1.00 0.00 H new ATOM 0 HG3 LYS A 21 0.387 13.797 9.010 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.892 14.268 9.185 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -1.314 15.673 8.310 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -2.305 15.027 6.317 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -2.154 13.316 6.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -4.444 14.648 6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -4.113 13.264 7.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -3.926 14.807 8.432 1.00 0.00 H new ATOM 361 N ASN A 22 1.631 14.576 3.678 1.00 0.00 N ATOM 362 CA ASN A 22 2.683 15.005 2.767 1.00 0.00 C ATOM 363 C ASN A 22 2.456 14.527 1.338 1.00 0.00 C ATOM 364 O ASN A 22 3.391 14.494 0.538 1.00 0.00 O ATOM 365 CB ASN A 22 4.043 14.526 3.274 1.00 0.00 C ATOM 366 CG ASN A 22 4.617 15.459 4.323 1.00 0.00 C ATOM 367 OD1 ASN A 22 4.753 16.660 4.093 1.00 0.00 O ATOM 368 ND2 ASN A 22 4.953 14.912 5.485 1.00 0.00 N ATOM 0 H ASN A 22 1.150 13.716 3.413 1.00 0.00 H new ATOM 0 HA ASN A 22 2.661 16.095 2.744 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.942 13.526 3.695 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.737 14.451 2.437 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.341 15.492 6.229 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.824 13.911 5.634 1.00 0.00 H new ATOM 375 N TRP A 23 1.219 14.171 1.002 1.00 0.00 N ATOM 376 CA TRP A 23 0.921 13.721 -0.351 1.00 0.00 C ATOM 377 C TRP A 23 0.652 14.914 -1.269 1.00 0.00 C ATOM 378 O TRP A 23 0.948 14.870 -2.462 1.00 0.00 O ATOM 379 CB TRP A 23 -0.256 12.736 -0.349 1.00 0.00 C ATOM 380 CG TRP A 23 -1.586 13.355 -0.623 1.00 0.00 C ATOM 381 CD1 TRP A 23 -2.591 13.547 0.261 1.00 0.00 C ATOM 382 CD2 TRP A 23 -2.055 13.833 -1.874 1.00 0.00 C ATOM 383 NE1 TRP A 23 -3.659 14.143 -0.351 1.00 0.00 N ATOM 384 CE2 TRP A 23 -3.355 14.330 -1.676 1.00 0.00 C ATOM 385 CE3 TRP A 23 -1.493 13.895 -3.140 1.00 0.00 C ATOM 386 CZ2 TRP A 23 -4.101 14.885 -2.711 1.00 0.00 C ATOM 387 CZ3 TRP A 23 -2.226 14.436 -4.163 1.00 0.00 C ATOM 388 CH2 TRP A 23 -3.521 14.928 -3.951 1.00 0.00 C ATOM 0 H TRP A 23 0.421 14.185 1.637 1.00 0.00 H new ATOM 0 HA TRP A 23 1.792 13.193 -0.740 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -0.068 11.965 -1.096 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -0.294 12.238 0.620 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -2.555 13.269 1.304 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -4.535 14.405 0.102 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -0.495 13.523 -3.317 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -5.097 15.267 -2.543 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -1.797 14.484 -5.153 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -4.071 15.348 -4.780 1.00 0.00 H new ATOM 399 N HIS A 24 0.104 15.982 -0.699 1.00 0.00 N ATOM 400 CA HIS A 24 -0.193 17.192 -1.460 1.00 0.00 C ATOM 401 C HIS A 24 -0.779 18.266 -0.550 1.00 0.00 C ATOM 402 O HIS A 24 -0.296 19.398 -0.514 1.00 0.00 O ATOM 403 CB HIS A 24 -1.168 16.883 -2.600 1.00 0.00 C ATOM 404 CG HIS A 24 -1.587 18.092 -3.380 1.00 0.00 C ATOM 405 ND1 HIS A 24 -0.733 18.780 -4.218 1.00 0.00 N ATOM 406 CD2 HIS A 24 -2.776 18.736 -3.446 1.00 0.00 C ATOM 407 CE1 HIS A 24 -1.380 19.795 -4.764 1.00 0.00 C ATOM 408 NE2 HIS A 24 -2.620 19.789 -4.313 1.00 0.00 N ATOM 0 H HIS A 24 -0.144 16.035 0.289 1.00 0.00 H new ATOM 0 HA HIS A 24 0.739 17.564 -1.886 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -0.704 16.167 -3.278 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.055 16.403 -2.187 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -3.679 18.471 -2.916 1.00 0.00 H new ATOM 0 HE1 HIS A 24 -0.964 20.508 -5.461 1.00 0.00 H new ATOM 0 HE2 HIS A 24 -3.346 20.459 -4.568 1.00 0.00 H new ATOM 417 N GLY A 25 -1.819 17.897 0.187 1.00 0.00 N ATOM 418 CA GLY A 25 -2.458 18.830 1.095 1.00 0.00 C ATOM 419 C GLY A 25 -2.697 18.215 2.458 1.00 0.00 C ATOM 420 O GLY A 25 -1.863 18.337 3.357 1.00 0.00 O ATOM 0 H GLY A 25 -2.233 16.965 0.172 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -1.835 19.718 1.201 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -3.408 19.156 0.672 1.00 0.00 H new ATOM 424 N GLY A 26 -3.831 17.542 2.608 1.00 0.00 N ATOM 425 CA GLY A 26 -4.153 16.905 3.861 1.00 0.00 C ATOM 426 C GLY A 26 -4.708 15.514 3.652 1.00 0.00 C ATOM 427 O GLY A 26 -4.305 14.807 2.728 1.00 0.00 O ATOM 0 H GLY A 26 -4.534 17.428 1.878 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.259 16.851 4.483 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -4.881 17.510 4.401 1.00 0.00 H new ATOM 431 N LYS A 27 -5.635 15.125 4.508 1.00 0.00 N ATOM 432 CA LYS A 27 -6.256 13.809 4.417 1.00 0.00 C ATOM 433 C LYS A 27 -7.557 13.862 3.616 1.00 0.00 C ATOM 434 O LYS A 27 -8.028 12.841 3.119 1.00 0.00 O ATOM 435 CB LYS A 27 -6.520 13.246 5.815 1.00 0.00 C ATOM 436 CG LYS A 27 -7.321 11.953 5.808 1.00 0.00 C ATOM 437 CD LYS A 27 -6.721 10.918 6.747 1.00 0.00 C ATOM 438 CE LYS A 27 -7.351 10.987 8.128 1.00 0.00 C ATOM 439 NZ LYS A 27 -6.343 10.807 9.209 1.00 0.00 N ATOM 0 H LYS A 27 -5.978 15.701 5.277 1.00 0.00 H new ATOM 0 HA LYS A 27 -5.564 13.150 3.893 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -5.567 13.071 6.313 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -7.055 13.992 6.403 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -8.350 12.160 6.103 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -7.355 11.551 4.796 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -6.864 9.921 6.330 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -5.646 11.079 6.828 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -7.848 11.949 8.252 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -8.118 10.218 8.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.814 10.861 10.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.886 9.879 9.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.624 11.556 9.142 1.00 0.00 H new ATOM 453 N ASP A 28 -8.141 15.050 3.507 1.00 0.00 N ATOM 454 CA ASP A 28 -9.396 15.221 2.780 1.00 0.00 C ATOM 455 C ASP A 28 -9.314 14.633 1.373 1.00 0.00 C ATOM 456 O ASP A 28 -10.150 13.818 0.985 1.00 0.00 O ATOM 457 CB ASP A 28 -9.765 16.704 2.704 1.00 0.00 C ATOM 458 CG ASP A 28 -10.278 17.240 4.026 1.00 0.00 C ATOM 459 OD1 ASP A 28 -10.892 16.460 4.786 1.00 0.00 O ATOM 460 OD2 ASP A 28 -10.066 18.439 4.303 1.00 0.00 O ATOM 0 H ASP A 28 -7.767 15.908 3.912 1.00 0.00 H new ATOM 0 HA ASP A 28 -10.171 14.682 3.326 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -8.891 17.278 2.397 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -10.526 16.848 1.937 1.00 0.00 H new ATOM 465 N ASN A 29 -8.311 15.054 0.612 1.00 0.00 N ATOM 466 CA ASN A 29 -8.136 14.568 -0.752 1.00 0.00 C ATOM 467 C ASN A 29 -7.484 13.190 -0.770 1.00 0.00 C ATOM 468 O ASN A 29 -7.699 12.408 -1.697 1.00 0.00 O ATOM 469 CB ASN A 29 -7.299 15.556 -1.565 1.00 0.00 C ATOM 470 CG ASN A 29 -7.994 16.891 -1.744 1.00 0.00 C ATOM 471 OD1 ASN A 29 -8.737 17.093 -2.705 1.00 0.00 O ATOM 472 ND2 ASN A 29 -7.754 17.811 -0.818 1.00 0.00 N ATOM 0 H ASN A 29 -7.608 15.729 0.914 1.00 0.00 H new ATOM 0 HA ASN A 29 -9.124 14.481 -1.204 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -6.341 15.712 -1.068 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -7.084 15.127 -2.544 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -8.193 18.729 -0.886 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -7.131 17.600 -0.038 1.00 0.00 H new ATOM 479 N LEU A 30 -6.698 12.887 0.258 1.00 0.00 N ATOM 480 CA LEU A 30 -6.038 11.592 0.345 1.00 0.00 C ATOM 481 C LEU A 30 -7.044 10.521 0.743 1.00 0.00 C ATOM 482 O LEU A 30 -6.902 9.356 0.379 1.00 0.00 O ATOM 483 CB LEU A 30 -4.891 11.639 1.357 1.00 0.00 C ATOM 484 CG LEU A 30 -3.844 10.516 1.244 1.00 0.00 C ATOM 485 CD1 LEU A 30 -4.429 9.196 1.708 1.00 0.00 C ATOM 486 CD2 LEU A 30 -3.304 10.381 -0.178 1.00 0.00 C ATOM 0 H LEU A 30 -6.504 13.517 1.037 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.625 11.347 -0.633 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.380 12.596 1.253 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -5.317 11.612 2.360 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.009 10.785 1.891 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -3.675 8.413 1.621 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.744 9.283 2.748 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.289 8.941 1.089 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.568 9.577 -0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.124 10.152 -0.858 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.834 11.317 -0.479 1.00 0.00 H new ATOM 498 N HIS A 31 -8.067 10.925 1.493 1.00 0.00 N ATOM 499 CA HIS A 31 -9.100 9.997 1.939 1.00 0.00 C ATOM 500 C HIS A 31 -9.615 9.164 0.771 1.00 0.00 C ATOM 501 O HIS A 31 -9.882 7.974 0.918 1.00 0.00 O ATOM 502 CB HIS A 31 -10.255 10.758 2.595 1.00 0.00 C ATOM 503 CG HIS A 31 -10.662 10.199 3.923 1.00 0.00 C ATOM 504 ND1 HIS A 31 -10.520 10.892 5.107 1.00 0.00 N ATOM 505 CD2 HIS A 31 -11.214 9.007 4.252 1.00 0.00 C ATOM 506 CE1 HIS A 31 -10.964 10.151 6.106 1.00 0.00 C ATOM 507 NE2 HIS A 31 -11.391 9.003 5.614 1.00 0.00 N ATOM 0 H HIS A 31 -8.201 11.887 1.803 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.660 9.325 2.676 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.966 11.801 2.722 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -11.115 10.745 1.925 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -11.468 8.208 3.571 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -10.976 10.436 7.148 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -11.788 8.237 6.157 1.00 0.00 H new ATOM 516 N ASP A 32 -9.741 9.797 -0.391 1.00 0.00 N ATOM 517 CA ASP A 32 -10.211 9.105 -1.585 1.00 0.00 C ATOM 518 C ASP A 32 -9.109 8.223 -2.167 1.00 0.00 C ATOM 519 O ASP A 32 -9.383 7.254 -2.875 1.00 0.00 O ATOM 520 CB ASP A 32 -10.686 10.113 -2.632 1.00 0.00 C ATOM 521 CG ASP A 32 -12.134 10.517 -2.430 1.00 0.00 C ATOM 522 OD1 ASP A 32 -13.022 9.664 -2.637 1.00 0.00 O ATOM 523 OD2 ASP A 32 -12.379 11.686 -2.065 1.00 0.00 O ATOM 0 H ASP A 32 -9.525 10.784 -0.531 1.00 0.00 H new ATOM 0 HA ASP A 32 -11.050 8.469 -1.303 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -10.055 11.001 -2.591 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -10.567 9.683 -3.627 1.00 0.00 H new ATOM 528 N VAL A 33 -7.865 8.568 -1.858 1.00 0.00 N ATOM 529 CA VAL A 33 -6.715 7.817 -2.337 1.00 0.00 C ATOM 530 C VAL A 33 -6.386 6.667 -1.391 1.00 0.00 C ATOM 531 O VAL A 33 -6.392 5.506 -1.797 1.00 0.00 O ATOM 532 CB VAL A 33 -5.499 8.751 -2.521 1.00 0.00 C ATOM 533 CG1 VAL A 33 -4.196 8.118 -2.059 1.00 0.00 C ATOM 534 CG2 VAL A 33 -5.383 9.161 -3.970 1.00 0.00 C ATOM 0 H VAL A 33 -7.628 9.369 -1.273 1.00 0.00 H new ATOM 0 HA VAL A 33 -6.963 7.388 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 33 -5.670 9.626 -1.895 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.376 8.820 -2.212 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -4.268 7.869 -1.000 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -4.009 7.211 -2.633 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -4.524 9.820 -4.094 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -5.253 8.274 -4.590 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.289 9.686 -4.273 1.00 0.00 H new ATOM 544 N ASP A 34 -6.120 6.981 -0.124 1.00 0.00 N ATOM 545 CA ASP A 34 -5.820 5.939 0.848 1.00 0.00 C ATOM 546 C ASP A 34 -7.003 4.977 0.937 1.00 0.00 C ATOM 547 O ASP A 34 -6.836 3.809 1.285 1.00 0.00 O ATOM 548 CB ASP A 34 -5.480 6.540 2.219 1.00 0.00 C ATOM 549 CG ASP A 34 -5.762 5.593 3.374 1.00 0.00 C ATOM 550 OD1 ASP A 34 -4.950 4.672 3.598 1.00 0.00 O ATOM 551 OD2 ASP A 34 -6.796 5.775 4.052 1.00 0.00 O ATOM 0 H ASP A 34 -6.107 7.931 0.246 1.00 0.00 H new ATOM 0 HA ASP A 34 -4.940 5.386 0.519 1.00 0.00 H new ATOM 0 HB2 ASP A 34 -4.426 6.819 2.235 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -6.054 7.456 2.360 1.00 0.00 H new ATOM 556 N ASN A 35 -8.194 5.465 0.578 1.00 0.00 N ATOM 557 CA ASN A 35 -9.382 4.622 0.579 1.00 0.00 C ATOM 558 C ASN A 35 -9.119 3.424 -0.315 1.00 0.00 C ATOM 559 O ASN A 35 -9.395 2.283 0.050 1.00 0.00 O ATOM 560 CB ASN A 35 -10.606 5.396 0.081 1.00 0.00 C ATOM 561 CG ASN A 35 -11.563 5.750 1.202 1.00 0.00 C ATOM 562 OD1 ASN A 35 -11.169 6.336 2.210 1.00 0.00 O ATOM 563 ND2 ASN A 35 -12.830 5.389 1.033 1.00 0.00 N ATOM 0 H ASN A 35 -8.356 6.429 0.287 1.00 0.00 H new ATOM 0 HA ASN A 35 -9.593 4.294 1.597 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -10.278 6.310 -0.414 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.130 4.799 -0.666 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -13.520 5.596 1.755 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.113 4.905 0.181 1.00 0.00 H new ATOM 570 N HIS A 36 -8.533 3.701 -1.478 1.00 0.00 N ATOM 571 CA HIS A 36 -8.171 2.656 -2.420 1.00 0.00 C ATOM 572 C HIS A 36 -7.235 1.682 -1.725 1.00 0.00 C ATOM 573 O HIS A 36 -7.450 0.471 -1.740 1.00 0.00 O ATOM 574 CB HIS A 36 -7.492 3.264 -3.651 1.00 0.00 C ATOM 575 CG HIS A 36 -8.357 3.266 -4.873 1.00 0.00 C ATOM 576 ND1 HIS A 36 -8.711 2.117 -5.548 1.00 0.00 N ATOM 577 CD2 HIS A 36 -8.942 4.288 -5.542 1.00 0.00 C ATOM 578 CE1 HIS A 36 -9.476 2.433 -6.579 1.00 0.00 C ATOM 579 NE2 HIS A 36 -9.632 3.743 -6.597 1.00 0.00 N ATOM 0 H HIS A 36 -8.300 4.645 -1.787 1.00 0.00 H new ATOM 0 HA HIS A 36 -9.066 2.131 -2.754 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -7.196 4.288 -3.424 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -6.579 2.708 -3.863 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -8.878 5.337 -5.292 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -9.901 1.737 -7.287 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -10.177 4.266 -7.283 1.00 0.00 H new ATOM 588 N LEU A 37 -6.209 2.235 -1.086 1.00 0.00 N ATOM 589 CA LEU A 37 -5.245 1.429 -0.347 1.00 0.00 C ATOM 590 C LEU A 37 -5.949 0.597 0.724 1.00 0.00 C ATOM 591 O LEU A 37 -5.980 -0.631 0.656 1.00 0.00 O ATOM 592 CB LEU A 37 -4.205 2.333 0.319 1.00 0.00 C ATOM 593 CG LEU A 37 -2.898 1.654 0.746 1.00 0.00 C ATOM 594 CD1 LEU A 37 -3.094 0.165 1.000 1.00 0.00 C ATOM 595 CD2 LEU A 37 -1.821 1.878 -0.302 1.00 0.00 C ATOM 0 H LEU A 37 -6.024 3.238 -1.065 1.00 0.00 H new ATOM 0 HA LEU A 37 -4.750 0.759 -1.050 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.962 3.143 -0.369 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.659 2.788 1.199 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.579 2.108 1.685 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.146 -0.281 1.300 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.828 0.025 1.793 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -3.448 -0.316 0.088 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.899 1.391 0.014 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -2.146 1.457 -1.254 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -1.644 2.947 -0.420 1.00 0.00 H new ATOM 607 N GLN A 38 -6.502 1.285 1.719 1.00 0.00 N ATOM 608 CA GLN A 38 -7.203 0.635 2.823 1.00 0.00 C ATOM 609 C GLN A 38 -8.170 -0.434 2.325 1.00 0.00 C ATOM 610 O GLN A 38 -8.259 -1.516 2.901 1.00 0.00 O ATOM 611 CB GLN A 38 -7.964 1.675 3.648 1.00 0.00 C ATOM 612 CG GLN A 38 -7.964 1.384 5.141 1.00 0.00 C ATOM 613 CD GLN A 38 -7.558 2.587 5.969 1.00 0.00 C ATOM 614 OE1 GLN A 38 -6.401 3.008 5.949 1.00 0.00 O ATOM 615 NE2 GLN A 38 -8.510 3.148 6.705 1.00 0.00 N ATOM 0 H GLN A 38 -6.478 2.303 1.783 1.00 0.00 H new ATOM 0 HA GLN A 38 -6.454 0.148 3.448 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -7.522 2.657 3.477 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -8.994 1.724 3.295 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -8.959 1.058 5.444 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -7.282 0.559 5.347 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -9.456 2.767 6.692 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -8.295 3.960 7.283 1.00 0.00 H new ATOM 624 N ASN A 39 -8.890 -0.129 1.252 1.00 0.00 N ATOM 625 CA ASN A 39 -9.843 -1.081 0.689 1.00 0.00 C ATOM 626 C ASN A 39 -9.115 -2.268 0.074 1.00 0.00 C ATOM 627 O ASN A 39 -9.661 -3.368 -0.013 1.00 0.00 O ATOM 628 CB ASN A 39 -10.725 -0.404 -0.362 1.00 0.00 C ATOM 629 CG ASN A 39 -12.133 -0.966 -0.386 1.00 0.00 C ATOM 630 OD1 ASN A 39 -12.332 -2.163 -0.589 1.00 0.00 O ATOM 631 ND2 ASN A 39 -13.119 -0.101 -0.175 1.00 0.00 N ATOM 0 H ASN A 39 -8.834 0.761 0.757 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.479 -1.442 1.498 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -10.768 0.666 -0.161 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -10.272 -0.526 -1.346 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.087 -0.421 -0.177 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.908 0.883 -0.011 1.00 0.00 H new ATOM 638 N VAL A 40 -7.875 -2.041 -0.342 1.00 0.00 N ATOM 639 CA VAL A 40 -7.068 -3.093 -0.936 1.00 0.00 C ATOM 640 C VAL A 40 -6.522 -4.023 0.144 1.00 0.00 C ATOM 641 O VAL A 40 -6.447 -5.234 -0.052 1.00 0.00 O ATOM 642 CB VAL A 40 -5.907 -2.501 -1.764 1.00 0.00 C ATOM 643 CG1 VAL A 40 -4.919 -3.579 -2.192 1.00 0.00 C ATOM 644 CG2 VAL A 40 -6.455 -1.765 -2.976 1.00 0.00 C ATOM 0 H VAL A 40 -7.408 -1.136 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 40 -7.708 -3.668 -1.606 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.367 -1.795 -1.133 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -4.115 -3.126 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -4.501 -4.061 -1.308 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -5.433 -4.322 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.629 -1.351 -3.554 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -7.021 -2.459 -3.598 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -7.108 -0.957 -2.646 1.00 0.00 H new ATOM 654 N ILE A 41 -6.149 -3.452 1.289 1.00 0.00 N ATOM 655 CA ILE A 41 -5.618 -4.245 2.395 1.00 0.00 C ATOM 656 C ILE A 41 -6.509 -5.455 2.667 1.00 0.00 C ATOM 657 O ILE A 41 -6.023 -6.545 2.970 1.00 0.00 O ATOM 658 CB ILE A 41 -5.464 -3.398 3.683 1.00 0.00 C ATOM 659 CG1 ILE A 41 -4.310 -3.932 4.531 1.00 0.00 C ATOM 660 CG2 ILE A 41 -6.754 -3.377 4.495 1.00 0.00 C ATOM 661 CD1 ILE A 41 -2.973 -3.905 3.820 1.00 0.00 C ATOM 0 H ILE A 41 -6.204 -2.450 1.474 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.628 -4.592 2.100 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.243 -2.373 3.385 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.238 -3.342 5.445 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -4.533 -4.956 4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -6.610 -2.774 5.391 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -7.555 -2.948 3.894 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -7.020 -4.394 4.781 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.201 -4.298 4.482 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.027 -4.518 2.920 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.728 -2.879 3.546 1.00 0.00 H new ATOM 673 N GLU A 42 -7.817 -5.255 2.533 1.00 0.00 N ATOM 674 CA GLU A 42 -8.781 -6.328 2.738 1.00 0.00 C ATOM 675 C GLU A 42 -8.769 -7.261 1.543 1.00 0.00 C ATOM 676 O GLU A 42 -8.808 -8.481 1.693 1.00 0.00 O ATOM 677 CB GLU A 42 -10.181 -5.750 2.951 1.00 0.00 C ATOM 678 CG GLU A 42 -10.237 -4.685 4.032 1.00 0.00 C ATOM 679 CD GLU A 42 -9.947 -5.238 5.413 1.00 0.00 C ATOM 680 OE1 GLU A 42 -8.755 -5.417 5.742 1.00 0.00 O ATOM 681 OE2 GLU A 42 -10.910 -5.492 6.166 1.00 0.00 O ATOM 0 H GLU A 42 -8.233 -4.358 2.283 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.504 -6.891 3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.536 -5.324 2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -10.864 -6.559 3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -9.517 -3.900 3.801 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -11.224 -4.223 4.030 1.00 0.00 H new ATOM 688 N ASP A 43 -8.688 -6.679 0.353 1.00 0.00 N ATOM 689 CA ASP A 43 -8.637 -7.467 -0.866 1.00 0.00 C ATOM 690 C ASP A 43 -7.406 -8.363 -0.836 1.00 0.00 C ATOM 691 O ASP A 43 -7.409 -9.463 -1.386 1.00 0.00 O ATOM 692 CB ASP A 43 -8.605 -6.559 -2.096 1.00 0.00 C ATOM 693 CG ASP A 43 -9.987 -6.083 -2.499 1.00 0.00 C ATOM 694 OD1 ASP A 43 -10.708 -6.852 -3.170 1.00 0.00 O ATOM 695 OD2 ASP A 43 -10.349 -4.941 -2.144 1.00 0.00 O ATOM 0 H ASP A 43 -8.657 -5.670 0.209 1.00 0.00 H new ATOM 0 HA ASP A 43 -9.533 -8.085 -0.928 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -7.972 -5.696 -1.891 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -8.151 -7.096 -2.929 1.00 0.00 H new ATOM 700 N ILE A 44 -6.360 -7.885 -0.162 1.00 0.00 N ATOM 701 CA ILE A 44 -5.127 -8.644 -0.028 1.00 0.00 C ATOM 702 C ILE A 44 -5.221 -9.578 1.173 1.00 0.00 C ATOM 703 O ILE A 44 -4.809 -10.736 1.110 1.00 0.00 O ATOM 704 CB ILE A 44 -3.895 -7.730 0.144 1.00 0.00 C ATOM 705 CG1 ILE A 44 -3.945 -6.553 -0.830 1.00 0.00 C ATOM 706 CG2 ILE A 44 -2.615 -8.522 -0.063 1.00 0.00 C ATOM 707 CD1 ILE A 44 -3.331 -5.288 -0.273 1.00 0.00 C ATOM 0 H ILE A 44 -6.347 -6.975 0.298 1.00 0.00 H new ATOM 0 HA ILE A 44 -5.000 -9.215 -0.948 1.00 0.00 H new ATOM 0 HB ILE A 44 -3.908 -7.336 1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -3.425 -6.828 -1.748 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -4.983 -6.357 -1.099 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -1.755 -7.863 0.062 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -2.564 -9.328 0.669 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -2.606 -8.943 -1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -3.400 -4.493 -1.015 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -3.866 -4.990 0.629 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -2.284 -5.468 -0.030 1.00 0.00 H new ATOM 719 N HIS A 45 -5.778 -9.064 2.267 1.00 0.00 N ATOM 720 CA HIS A 45 -5.940 -9.851 3.483 1.00 0.00 C ATOM 721 C HIS A 45 -6.857 -11.037 3.225 1.00 0.00 C ATOM 722 O HIS A 45 -6.568 -12.160 3.637 1.00 0.00 O ATOM 723 CB HIS A 45 -6.498 -8.983 4.611 1.00 0.00 C ATOM 724 CG HIS A 45 -5.469 -8.095 5.233 1.00 0.00 C ATOM 725 ND1 HIS A 45 -5.667 -7.426 6.423 1.00 0.00 N ATOM 726 CD2 HIS A 45 -4.221 -7.771 4.823 1.00 0.00 C ATOM 727 CE1 HIS A 45 -4.584 -6.727 6.717 1.00 0.00 C ATOM 728 NE2 HIS A 45 -3.692 -6.921 5.763 1.00 0.00 N ATOM 0 H HIS A 45 -6.124 -8.107 2.335 1.00 0.00 H new ATOM 0 HA HIS A 45 -4.962 -10.225 3.787 1.00 0.00 H new ATOM 0 HB2 HIS A 45 -7.310 -8.370 4.221 1.00 0.00 H new ATOM 0 HB3 HIS A 45 -6.925 -9.627 5.379 1.00 0.00 H new ATOM 0 HD2 HIS A 45 -3.732 -8.116 3.924 1.00 0.00 H new ATOM 0 HE1 HIS A 45 -4.451 -6.104 7.589 1.00 0.00 H new ATOM 0 HE2 HIS A 45 -2.761 -6.507 5.730 1.00 0.00 H new ATOM 737 N ASP A 46 -7.955 -10.786 2.519 1.00 0.00 N ATOM 738 CA ASP A 46 -8.897 -11.844 2.185 1.00 0.00 C ATOM 739 C ASP A 46 -8.316 -12.737 1.092 1.00 0.00 C ATOM 740 O ASP A 46 -8.846 -13.810 0.803 1.00 0.00 O ATOM 741 CB ASP A 46 -10.230 -11.250 1.726 1.00 0.00 C ATOM 742 CG ASP A 46 -11.167 -10.967 2.884 1.00 0.00 C ATOM 743 OD1 ASP A 46 -10.678 -10.840 4.026 1.00 0.00 O ATOM 744 OD2 ASP A 46 -12.390 -10.873 2.648 1.00 0.00 O ATOM 0 H ASP A 46 -8.212 -9.863 2.169 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.074 -12.445 3.077 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.043 -10.326 1.179 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -10.712 -11.939 1.032 1.00 0.00 H new ATOM 749 N PHE A 47 -7.216 -12.283 0.491 1.00 0.00 N ATOM 750 CA PHE A 47 -6.552 -13.036 -0.568 1.00 0.00 C ATOM 751 C PHE A 47 -5.582 -14.055 0.020 1.00 0.00 C ATOM 752 O PHE A 47 -5.488 -15.186 -0.454 1.00 0.00 O ATOM 753 CB PHE A 47 -5.808 -12.077 -1.516 1.00 0.00 C ATOM 754 CG PHE A 47 -4.329 -12.353 -1.655 1.00 0.00 C ATOM 755 CD1 PHE A 47 -3.879 -13.533 -2.223 1.00 0.00 C ATOM 756 CD2 PHE A 47 -3.395 -11.432 -1.214 1.00 0.00 C ATOM 757 CE1 PHE A 47 -2.527 -13.788 -2.347 1.00 0.00 C ATOM 758 CE2 PHE A 47 -2.042 -11.679 -1.335 1.00 0.00 C ATOM 759 CZ PHE A 47 -1.607 -12.859 -1.903 1.00 0.00 C ATOM 0 H PHE A 47 -6.767 -11.396 0.721 1.00 0.00 H new ATOM 0 HA PHE A 47 -7.312 -13.574 -1.135 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.269 -12.132 -2.502 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -5.942 -11.056 -1.158 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -4.594 -14.263 -2.573 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -3.729 -10.507 -0.769 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.190 -14.713 -2.791 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -1.326 -10.950 -0.986 1.00 0.00 H new ATOM 0 HZ PHE A 47 -0.549 -13.055 -2.000 1.00 0.00 H new ATOM 769 N MET A 48 -4.846 -13.633 1.041 1.00 0.00 N ATOM 770 CA MET A 48 -3.860 -14.490 1.691 1.00 0.00 C ATOM 771 C MET A 48 -4.413 -15.885 1.970 1.00 0.00 C ATOM 772 O MET A 48 -3.659 -16.857 2.030 1.00 0.00 O ATOM 773 CB MET A 48 -3.388 -13.844 2.994 1.00 0.00 C ATOM 774 CG MET A 48 -1.884 -13.635 3.057 1.00 0.00 C ATOM 775 SD MET A 48 -1.298 -12.436 1.845 1.00 0.00 S ATOM 776 CE MET A 48 -1.423 -10.918 2.786 1.00 0.00 C ATOM 0 H MET A 48 -4.914 -12.696 1.439 1.00 0.00 H new ATOM 0 HA MET A 48 -3.017 -14.601 1.009 1.00 0.00 H new ATOM 0 HB2 MET A 48 -3.886 -12.882 3.114 1.00 0.00 H new ATOM 0 HB3 MET A 48 -3.695 -14.469 3.832 1.00 0.00 H new ATOM 0 HG2 MET A 48 -1.609 -13.299 4.057 1.00 0.00 H new ATOM 0 HG3 MET A 48 -1.381 -14.588 2.892 1.00 0.00 H new ATOM 0 HE1 MET A 48 -0.587 -10.265 2.536 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.360 -10.416 2.545 1.00 0.00 H new ATOM 0 HE3 MET A 48 -1.398 -11.147 3.851 1.00 0.00 H new ATOM 786 N GLN A 49 -5.727 -15.985 2.147 1.00 0.00 N ATOM 787 CA GLN A 49 -6.353 -17.272 2.426 1.00 0.00 C ATOM 788 C GLN A 49 -6.895 -17.924 1.158 1.00 0.00 C ATOM 789 O GLN A 49 -7.746 -18.811 1.220 1.00 0.00 O ATOM 790 CB GLN A 49 -7.473 -17.109 3.458 1.00 0.00 C ATOM 791 CG GLN A 49 -7.130 -17.684 4.822 1.00 0.00 C ATOM 792 CD GLN A 49 -8.172 -18.666 5.321 1.00 0.00 C ATOM 793 OE1 GLN A 49 -9.104 -18.291 6.034 1.00 0.00 O ATOM 794 NE2 GLN A 49 -8.020 -19.932 4.950 1.00 0.00 N ATOM 0 H GLN A 49 -6.374 -15.197 2.103 1.00 0.00 H new ATOM 0 HA GLN A 49 -5.585 -17.929 2.834 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -7.704 -16.049 3.567 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.374 -17.595 3.084 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -6.162 -18.183 4.769 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -7.030 -16.870 5.540 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.233 -20.199 4.358 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -8.690 -20.637 5.257 1.00 0.00 H new ATOM 803 N GLY A 50 -6.390 -17.490 0.012 1.00 0.00 N ATOM 804 CA GLY A 50 -6.828 -18.055 -1.250 1.00 0.00 C ATOM 805 C GLY A 50 -8.197 -17.564 -1.679 1.00 0.00 C ATOM 806 O GLY A 50 -8.949 -18.289 -2.330 1.00 0.00 O ATOM 0 H GLY A 50 -5.685 -16.757 -0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.101 -17.808 -2.024 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -6.848 -19.142 -1.167 1.00 0.00 H new ATOM 810 N GLY A 51 -8.508 -16.317 -1.341 1.00 0.00 N ATOM 811 CA GLY A 51 -9.778 -15.732 -1.731 1.00 0.00 C ATOM 812 C GLY A 51 -9.612 -14.944 -3.009 1.00 0.00 C ATOM 813 O GLY A 51 -10.148 -13.847 -3.163 1.00 0.00 O ATOM 0 H GLY A 51 -7.901 -15.699 -0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -10.521 -16.517 -1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -10.147 -15.081 -0.938 1.00 0.00 H new ATOM 817 N GLY A 52 -8.825 -15.515 -3.908 1.00 0.00 N ATOM 818 CA GLY A 52 -8.523 -14.884 -5.176 1.00 0.00 C ATOM 819 C GLY A 52 -7.024 -14.721 -5.360 1.00 0.00 C ATOM 820 O GLY A 52 -6.571 -13.883 -6.140 1.00 0.00 O ATOM 0 H GLY A 52 -8.382 -16.424 -3.777 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -8.930 -15.483 -5.990 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -9.007 -13.909 -5.225 1.00 0.00 H new ATOM 824 N SER A 53 -6.255 -15.527 -4.623 1.00 0.00 N ATOM 825 CA SER A 53 -4.803 -15.484 -4.677 1.00 0.00 C ATOM 826 C SER A 53 -4.288 -15.813 -6.072 1.00 0.00 C ATOM 827 O SER A 53 -5.025 -16.317 -6.919 1.00 0.00 O ATOM 828 CB SER A 53 -4.216 -16.463 -3.652 1.00 0.00 C ATOM 829 OG SER A 53 -4.300 -17.799 -4.119 1.00 0.00 O ATOM 0 H SER A 53 -6.626 -16.223 -3.976 1.00 0.00 H new ATOM 0 HA SER A 53 -4.484 -14.470 -4.435 1.00 0.00 H new ATOM 0 HB2 SER A 53 -3.175 -16.208 -3.455 1.00 0.00 H new ATOM 0 HB3 SER A 53 -4.751 -16.370 -2.707 1.00 0.00 H new ATOM 0 HG SER A 53 -3.918 -18.404 -3.449 1.00 0.00 H new ATOM 835 N GLY A 54 -3.013 -15.522 -6.294 1.00 0.00 N ATOM 836 CA GLY A 54 -2.397 -15.785 -7.582 1.00 0.00 C ATOM 837 C GLY A 54 -3.190 -15.214 -8.744 1.00 0.00 C ATOM 838 O GLY A 54 -3.488 -15.923 -9.705 1.00 0.00 O ATOM 0 H GLY A 54 -2.390 -15.106 -5.601 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -1.392 -15.362 -7.592 1.00 0.00 H new ATOM 0 HA3 GLY A 54 -2.291 -16.862 -7.715 1.00 0.00 H new ATOM 842 N GLY A 55 -3.531 -13.930 -8.660 1.00 0.00 N ATOM 843 CA GLY A 55 -4.288 -13.302 -9.728 1.00 0.00 C ATOM 844 C GLY A 55 -4.763 -11.901 -9.381 1.00 0.00 C ATOM 845 O GLY A 55 -4.849 -11.040 -10.254 1.00 0.00 O ATOM 0 H GLY A 55 -3.298 -13.318 -7.878 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -3.670 -13.257 -10.625 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.152 -13.923 -9.966 1.00 0.00 H new ATOM 849 N LYS A 56 -5.082 -11.672 -8.111 1.00 0.00 N ATOM 850 CA LYS A 56 -5.560 -10.363 -7.674 1.00 0.00 C ATOM 851 C LYS A 56 -4.410 -9.447 -7.280 1.00 0.00 C ATOM 852 O LYS A 56 -4.534 -8.227 -7.349 1.00 0.00 O ATOM 853 CB LYS A 56 -6.547 -10.504 -6.508 1.00 0.00 C ATOM 854 CG LYS A 56 -5.980 -11.216 -5.282 1.00 0.00 C ATOM 855 CD LYS A 56 -5.095 -10.311 -4.426 1.00 0.00 C ATOM 856 CE LYS A 56 -5.708 -8.936 -4.205 1.00 0.00 C ATOM 857 NZ LYS A 56 -4.950 -8.145 -3.195 1.00 0.00 N ATOM 0 H LYS A 56 -5.019 -12.370 -7.370 1.00 0.00 H new ATOM 0 HA LYS A 56 -6.076 -9.909 -8.520 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.885 -9.511 -6.212 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -7.425 -11.049 -6.855 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.803 -11.592 -4.674 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -5.401 -12.081 -5.606 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -4.920 -10.787 -3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -4.123 -10.199 -4.907 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -5.730 -8.392 -5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -6.742 -9.048 -3.877 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.615 -7.707 -2.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -4.302 -8.773 -2.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -4.402 -7.403 -3.675 1.00 0.00 H new ATOM 871 N LEU A 57 -3.293 -10.029 -6.866 1.00 0.00 N ATOM 872 CA LEU A 57 -2.143 -9.233 -6.462 1.00 0.00 C ATOM 873 C LEU A 57 -1.492 -8.543 -7.655 1.00 0.00 C ATOM 874 O LEU A 57 -0.604 -7.717 -7.483 1.00 0.00 O ATOM 875 CB LEU A 57 -1.114 -10.094 -5.734 1.00 0.00 C ATOM 876 CG LEU A 57 -0.014 -9.313 -5.014 1.00 0.00 C ATOM 877 CD1 LEU A 57 -0.580 -8.590 -3.802 1.00 0.00 C ATOM 878 CD2 LEU A 57 1.119 -10.243 -4.604 1.00 0.00 C ATOM 0 H LEU A 57 -3.159 -11.038 -6.801 1.00 0.00 H new ATOM 0 HA LEU A 57 -2.507 -8.464 -5.780 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.633 -10.717 -5.006 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.649 -10.767 -6.455 1.00 0.00 H new ATOM 0 HG LEU A 57 0.386 -8.568 -5.701 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.217 -8.039 -3.302 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.356 -7.895 -4.123 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.007 -9.317 -3.111 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.893 -9.670 -4.093 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.734 -11.012 -3.934 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.542 -10.714 -5.491 1.00 0.00 H new ATOM 890 N GLN A 58 -1.927 -8.877 -8.865 1.00 0.00 N ATOM 891 CA GLN A 58 -1.364 -8.258 -10.057 1.00 0.00 C ATOM 892 C GLN A 58 -2.080 -6.951 -10.382 1.00 0.00 C ATOM 893 O GLN A 58 -1.442 -5.919 -10.593 1.00 0.00 O ATOM 894 CB GLN A 58 -1.421 -9.221 -11.250 1.00 0.00 C ATOM 895 CG GLN A 58 -2.801 -9.352 -11.877 1.00 0.00 C ATOM 896 CD GLN A 58 -2.872 -10.466 -12.904 1.00 0.00 C ATOM 897 OE1 GLN A 58 -3.096 -11.627 -12.563 1.00 0.00 O ATOM 898 NE2 GLN A 58 -2.681 -10.116 -14.171 1.00 0.00 N ATOM 0 H GLN A 58 -2.659 -9.565 -9.045 1.00 0.00 H new ATOM 0 HA GLN A 58 -0.318 -8.029 -9.855 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -0.719 -8.881 -12.011 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -1.087 -10.206 -10.924 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -3.536 -9.538 -11.094 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -3.072 -8.408 -12.351 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -2.498 -9.141 -14.409 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -2.717 -10.822 -14.906 1.00 0.00 H new ATOM 907 N GLU A 59 -3.407 -6.999 -10.415 1.00 0.00 N ATOM 908 CA GLU A 59 -4.204 -5.816 -10.707 1.00 0.00 C ATOM 909 C GLU A 59 -4.476 -5.030 -9.432 1.00 0.00 C ATOM 910 O GLU A 59 -4.538 -3.800 -9.449 1.00 0.00 O ATOM 911 CB GLU A 59 -5.524 -6.210 -11.372 1.00 0.00 C ATOM 912 CG GLU A 59 -5.346 -6.907 -12.711 1.00 0.00 C ATOM 913 CD GLU A 59 -6.226 -6.319 -13.797 1.00 0.00 C ATOM 914 OE1 GLU A 59 -7.393 -5.988 -13.503 1.00 0.00 O ATOM 915 OE2 GLU A 59 -5.746 -6.189 -14.944 1.00 0.00 O ATOM 0 H GLU A 59 -3.952 -7.844 -10.243 1.00 0.00 H new ATOM 0 HA GLU A 59 -3.641 -5.185 -11.395 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -6.078 -6.867 -10.701 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.130 -5.316 -11.515 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -4.302 -6.837 -13.017 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.574 -7.967 -12.598 1.00 0.00 H new ATOM 922 N MET A 60 -4.629 -5.747 -8.324 1.00 0.00 N ATOM 923 CA MET A 60 -4.883 -5.111 -7.041 1.00 0.00 C ATOM 924 C MET A 60 -3.616 -4.459 -6.508 1.00 0.00 C ATOM 925 O MET A 60 -3.679 -3.461 -5.790 1.00 0.00 O ATOM 926 CB MET A 60 -5.416 -6.123 -6.026 1.00 0.00 C ATOM 927 CG MET A 60 -6.059 -5.481 -4.808 1.00 0.00 C ATOM 928 SD MET A 60 -7.840 -5.260 -4.994 1.00 0.00 S ATOM 929 CE MET A 60 -8.354 -6.928 -5.400 1.00 0.00 C ATOM 0 H MET A 60 -4.581 -6.765 -8.290 1.00 0.00 H new ATOM 0 HA MET A 60 -5.640 -4.341 -7.192 1.00 0.00 H new ATOM 0 HB2 MET A 60 -6.147 -6.766 -6.516 1.00 0.00 H new ATOM 0 HB3 MET A 60 -4.597 -6.763 -5.699 1.00 0.00 H new ATOM 0 HG2 MET A 60 -5.864 -6.099 -3.931 1.00 0.00 H new ATOM 0 HG3 MET A 60 -5.594 -4.512 -4.625 1.00 0.00 H new ATOM 0 HE1 MET A 60 -9.432 -7.019 -5.267 1.00 0.00 H new ATOM 0 HE2 MET A 60 -8.097 -7.146 -6.436 1.00 0.00 H new ATOM 0 HE3 MET A 60 -7.846 -7.635 -4.744 1.00 0.00 H new ATOM 939 N MET A 61 -2.458 -5.018 -6.863 1.00 0.00 N ATOM 940 CA MET A 61 -1.187 -4.459 -6.409 1.00 0.00 C ATOM 941 C MET A 61 -1.084 -2.991 -6.814 1.00 0.00 C ATOM 942 O MET A 61 -0.792 -2.125 -5.989 1.00 0.00 O ATOM 943 CB MET A 61 -0.008 -5.251 -6.989 1.00 0.00 C ATOM 944 CG MET A 61 1.279 -4.450 -7.142 1.00 0.00 C ATOM 945 SD MET A 61 2.647 -5.447 -7.763 1.00 0.00 S ATOM 946 CE MET A 61 2.559 -6.862 -6.670 1.00 0.00 C ATOM 0 H MET A 61 -2.375 -5.845 -7.455 1.00 0.00 H new ATOM 0 HA MET A 61 -1.148 -4.531 -5.322 1.00 0.00 H new ATOM 0 HB2 MET A 61 0.188 -6.109 -6.346 1.00 0.00 H new ATOM 0 HB3 MET A 61 -0.295 -5.643 -7.965 1.00 0.00 H new ATOM 0 HG2 MET A 61 1.105 -3.616 -7.821 1.00 0.00 H new ATOM 0 HG3 MET A 61 1.554 -4.023 -6.177 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.561 -7.260 -6.508 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.131 -6.558 -5.715 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.931 -7.631 -7.120 1.00 0.00 H new ATOM 956 N LYS A 62 -1.332 -2.721 -8.091 1.00 0.00 N ATOM 957 CA LYS A 62 -1.273 -1.361 -8.607 1.00 0.00 C ATOM 958 C LYS A 62 -2.266 -0.460 -7.877 1.00 0.00 C ATOM 959 O LYS A 62 -2.123 0.762 -7.877 1.00 0.00 O ATOM 960 CB LYS A 62 -1.558 -1.350 -10.111 1.00 0.00 C ATOM 961 CG LYS A 62 -0.304 -1.270 -10.966 1.00 0.00 C ATOM 962 CD LYS A 62 -0.510 -0.378 -12.179 1.00 0.00 C ATOM 963 CE LYS A 62 0.690 -0.418 -13.111 1.00 0.00 C ATOM 964 NZ LYS A 62 1.896 0.198 -12.491 1.00 0.00 N ATOM 0 H LYS A 62 -1.576 -3.426 -8.786 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.268 -0.975 -8.435 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.111 -2.252 -10.374 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -2.202 -0.502 -10.344 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.522 -0.886 -10.367 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -0.022 -2.271 -11.293 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.402 -0.697 -12.719 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.684 0.647 -11.852 1.00 0.00 H new ATOM 0 HE2 LYS A 62 0.907 -1.452 -13.379 1.00 0.00 H new ATOM 0 HE3 LYS A 62 0.449 0.107 -14.036 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 2.683 0.181 -13.171 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 1.687 1.182 -12.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 2.162 -0.339 -11.641 1.00 0.00 H new ATOM 978 N GLU A 63 -3.273 -1.071 -7.256 1.00 0.00 N ATOM 979 CA GLU A 63 -4.284 -0.319 -6.524 1.00 0.00 C ATOM 980 C GLU A 63 -3.712 0.253 -5.232 1.00 0.00 C ATOM 981 O GLU A 63 -4.103 1.337 -4.799 1.00 0.00 O ATOM 982 CB GLU A 63 -5.486 -1.206 -6.209 1.00 0.00 C ATOM 983 CG GLU A 63 -6.812 -0.468 -6.272 1.00 0.00 C ATOM 984 CD GLU A 63 -7.849 -1.199 -7.104 1.00 0.00 C ATOM 985 OE1 GLU A 63 -8.026 -2.418 -6.894 1.00 0.00 O ATOM 986 OE2 GLU A 63 -8.483 -0.553 -7.964 1.00 0.00 O ATOM 0 H GLU A 63 -3.408 -2.082 -7.246 1.00 0.00 H new ATOM 0 HA GLU A 63 -4.607 0.508 -7.156 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -5.508 -2.039 -6.912 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -5.363 -1.633 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.195 -0.330 -5.261 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -6.651 0.526 -6.690 1.00 0.00 H new ATOM 993 N PHE A 64 -2.779 -0.472 -4.622 1.00 0.00 N ATOM 994 CA PHE A 64 -2.156 -0.020 -3.389 1.00 0.00 C ATOM 995 C PHE A 64 -1.005 0.930 -3.702 1.00 0.00 C ATOM 996 O PHE A 64 -0.658 1.793 -2.895 1.00 0.00 O ATOM 997 CB PHE A 64 -1.694 -1.223 -2.549 1.00 0.00 C ATOM 998 CG PHE A 64 -0.389 -1.838 -2.972 1.00 0.00 C ATOM 999 CD1 PHE A 64 0.807 -1.151 -2.839 1.00 0.00 C ATOM 1000 CD2 PHE A 64 -0.365 -3.121 -3.491 1.00 0.00 C ATOM 1001 CE1 PHE A 64 2.000 -1.733 -3.220 1.00 0.00 C ATOM 1002 CE2 PHE A 64 0.823 -3.707 -3.874 1.00 0.00 C ATOM 1003 CZ PHE A 64 2.007 -3.012 -3.739 1.00 0.00 C ATOM 0 H PHE A 64 -2.441 -1.372 -4.963 1.00 0.00 H new ATOM 0 HA PHE A 64 -2.888 0.529 -2.796 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -1.608 -0.908 -1.509 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -2.467 -1.990 -2.587 1.00 0.00 H new ATOM 0 HD1 PHE A 64 0.806 -0.150 -2.433 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -1.289 -3.670 -3.597 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.926 -1.188 -3.112 1.00 0.00 H new ATOM 0 HE2 PHE A 64 0.827 -4.708 -4.279 1.00 0.00 H new ATOM 0 HZ PHE A 64 2.939 -3.468 -4.039 1.00 0.00 H new ATOM 1013 N GLN A 65 -0.433 0.776 -4.893 1.00 0.00 N ATOM 1014 CA GLN A 65 0.660 1.629 -5.336 1.00 0.00 C ATOM 1015 C GLN A 65 0.114 2.935 -5.903 1.00 0.00 C ATOM 1016 O GLN A 65 0.716 3.996 -5.737 1.00 0.00 O ATOM 1017 CB GLN A 65 1.506 0.911 -6.391 1.00 0.00 C ATOM 1018 CG GLN A 65 2.911 1.474 -6.530 1.00 0.00 C ATOM 1019 CD GLN A 65 3.173 2.057 -7.904 1.00 0.00 C ATOM 1020 OE1 GLN A 65 3.242 3.274 -8.072 1.00 0.00 O ATOM 1021 NE2 GLN A 65 3.320 1.188 -8.898 1.00 0.00 N ATOM 0 H GLN A 65 -0.711 0.065 -5.569 1.00 0.00 H new ATOM 0 HA GLN A 65 1.292 1.854 -4.477 1.00 0.00 H new ATOM 0 HB2 GLN A 65 1.571 -0.146 -6.135 1.00 0.00 H new ATOM 0 HB3 GLN A 65 1.001 0.975 -7.355 1.00 0.00 H new ATOM 0 HG2 GLN A 65 3.065 2.246 -5.776 1.00 0.00 H new ATOM 0 HG3 GLN A 65 3.636 0.685 -6.330 1.00 0.00 H new ATOM 0 HE21 GLN A 65 3.255 0.187 -8.714 1.00 0.00 H new ATOM 0 HE22 GLN A 65 3.498 1.522 -9.845 1.00 0.00 H new ATOM 1030 N GLN A 66 -1.039 2.849 -6.568 1.00 0.00 N ATOM 1031 CA GLN A 66 -1.678 4.025 -7.154 1.00 0.00 C ATOM 1032 C GLN A 66 -1.889 5.099 -6.095 1.00 0.00 C ATOM 1033 O GLN A 66 -1.822 6.294 -6.382 1.00 0.00 O ATOM 1034 CB GLN A 66 -3.017 3.645 -7.792 1.00 0.00 C ATOM 1035 CG GLN A 66 -3.017 3.744 -9.309 1.00 0.00 C ATOM 1036 CD GLN A 66 -2.245 2.618 -9.967 1.00 0.00 C ATOM 1037 OE1 GLN A 66 -2.828 1.635 -10.426 1.00 0.00 O ATOM 1038 NE2 GLN A 66 -0.925 2.756 -10.018 1.00 0.00 N ATOM 0 H GLN A 66 -1.548 1.977 -6.713 1.00 0.00 H new ATOM 0 HA GLN A 66 -1.022 4.422 -7.929 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -3.272 2.625 -7.503 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -3.797 4.294 -7.394 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -4.045 3.734 -9.670 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -2.584 4.699 -9.607 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -0.484 3.587 -9.625 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -0.353 2.031 -10.450 1.00 0.00 H new ATOM 1047 N VAL A 67 -2.127 4.660 -4.864 1.00 0.00 N ATOM 1048 CA VAL A 67 -2.330 5.573 -3.747 1.00 0.00 C ATOM 1049 C VAL A 67 -1.107 6.465 -3.574 1.00 0.00 C ATOM 1050 O VAL A 67 -1.224 7.660 -3.302 1.00 0.00 O ATOM 1051 CB VAL A 67 -2.601 4.781 -2.449 1.00 0.00 C ATOM 1052 CG1 VAL A 67 -2.722 5.703 -1.243 1.00 0.00 C ATOM 1053 CG2 VAL A 67 -3.853 3.930 -2.609 1.00 0.00 C ATOM 0 H VAL A 67 -2.184 3.673 -4.615 1.00 0.00 H new ATOM 0 HA VAL A 67 -3.197 6.199 -3.959 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.749 4.125 -2.269 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -2.912 5.109 -0.349 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -1.794 6.261 -1.117 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -3.546 6.399 -1.399 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.036 3.375 -1.689 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -4.706 4.574 -2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -3.714 3.230 -3.433 1.00 0.00 H new ATOM 1063 N LEU A 68 0.064 5.874 -3.766 1.00 0.00 N ATOM 1064 CA LEU A 68 1.320 6.603 -3.669 1.00 0.00 C ATOM 1065 C LEU A 68 1.563 7.410 -4.945 1.00 0.00 C ATOM 1066 O LEU A 68 2.519 8.177 -5.032 1.00 0.00 O ATOM 1067 CB LEU A 68 2.461 5.629 -3.415 1.00 0.00 C ATOM 1068 CG LEU A 68 2.804 5.450 -1.937 1.00 0.00 C ATOM 1069 CD1 LEU A 68 2.119 4.216 -1.363 1.00 0.00 C ATOM 1070 CD2 LEU A 68 4.313 5.364 -1.754 1.00 0.00 C ATOM 0 H LEU A 68 0.170 4.885 -3.991 1.00 0.00 H new ATOM 0 HA LEU A 68 1.268 7.301 -2.833 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.198 4.659 -3.837 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.348 5.977 -3.944 1.00 0.00 H new ATOM 0 HG LEU A 68 2.436 6.319 -1.391 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.380 4.112 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.038 4.321 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.448 3.331 -1.907 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.545 5.237 -0.697 1.00 0.00 H new ATOM 0 HD22 LEU A 68 4.700 4.513 -2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.777 6.280 -2.119 1.00 0.00 H new ATOM 1082 N ASP A 69 0.670 7.245 -5.927 1.00 0.00 N ATOM 1083 CA ASP A 69 0.766 7.974 -7.185 1.00 0.00 C ATOM 1084 C ASP A 69 0.299 9.406 -6.971 1.00 0.00 C ATOM 1085 O ASP A 69 1.047 10.355 -7.199 1.00 0.00 O ATOM 1086 CB ASP A 69 -0.080 7.297 -8.265 1.00 0.00 C ATOM 1087 CG ASP A 69 0.595 7.312 -9.622 1.00 0.00 C ATOM 1088 OD1 ASP A 69 1.212 8.342 -9.967 1.00 0.00 O ATOM 1089 OD2 ASP A 69 0.507 6.294 -10.341 1.00 0.00 O ATOM 0 H ASP A 69 -0.127 6.611 -5.869 1.00 0.00 H new ATOM 0 HA ASP A 69 1.804 7.976 -7.519 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -0.280 6.266 -7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -1.044 7.801 -8.336 1.00 0.00 H new ATOM 1094 N GLU A 70 -0.935 9.553 -6.484 1.00 0.00 N ATOM 1095 CA GLU A 70 -1.483 10.875 -6.187 1.00 0.00 C ATOM 1096 C GLU A 70 -0.524 11.602 -5.261 1.00 0.00 C ATOM 1097 O GLU A 70 -0.332 12.814 -5.343 1.00 0.00 O ATOM 1098 CB GLU A 70 -2.843 10.736 -5.491 1.00 0.00 C ATOM 1099 CG GLU A 70 -3.796 11.897 -5.734 1.00 0.00 C ATOM 1100 CD GLU A 70 -3.869 12.309 -7.192 1.00 0.00 C ATOM 1101 OE1 GLU A 70 -3.031 13.132 -7.619 1.00 0.00 O ATOM 1102 OE2 GLU A 70 -4.763 11.809 -7.906 1.00 0.00 O ATOM 0 H GLU A 70 -1.569 8.778 -6.289 1.00 0.00 H new ATOM 0 HA GLU A 70 -1.612 11.432 -7.115 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -3.318 9.815 -5.829 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -2.680 10.635 -4.418 1.00 0.00 H new ATOM 0 HG2 GLU A 70 -4.793 11.620 -5.390 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -3.479 12.751 -5.136 1.00 0.00 H new ATOM 1109 N LEU A 71 0.055 10.812 -4.375 1.00 0.00 N ATOM 1110 CA LEU A 71 0.995 11.277 -3.376 1.00 0.00 C ATOM 1111 C LEU A 71 2.366 11.592 -3.976 1.00 0.00 C ATOM 1112 O LEU A 71 2.772 12.751 -4.041 1.00 0.00 O ATOM 1113 CB LEU A 71 1.097 10.185 -2.319 1.00 0.00 C ATOM 1114 CG LEU A 71 2.310 10.234 -1.397 1.00 0.00 C ATOM 1115 CD1 LEU A 71 1.906 10.713 -0.017 1.00 0.00 C ATOM 1116 CD2 LEU A 71 2.936 8.857 -1.309 1.00 0.00 C ATOM 0 H LEU A 71 -0.120 9.808 -4.331 1.00 0.00 H new ATOM 0 HA LEU A 71 0.642 12.212 -2.940 1.00 0.00 H new ATOM 0 HB2 LEU A 71 0.199 10.224 -1.702 1.00 0.00 H new ATOM 0 HB3 LEU A 71 1.094 9.220 -2.826 1.00 0.00 H new ATOM 0 HG LEU A 71 3.038 10.935 -1.805 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.783 10.742 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.476 11.712 -0.090 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.168 10.030 0.404 1.00 0.00 H new ATOM 0 HD21 LEU A 71 3.803 8.893 -0.650 1.00 0.00 H new ATOM 0 HD22 LEU A 71 2.207 8.151 -0.912 1.00 0.00 H new ATOM 0 HD23 LEU A 71 3.249 8.535 -2.302 1.00 0.00 H new ATOM 1128 N ASN A 72 3.080 10.552 -4.397 1.00 0.00 N ATOM 1129 CA ASN A 72 4.413 10.716 -4.976 1.00 0.00 C ATOM 1130 C ASN A 72 4.423 11.776 -6.074 1.00 0.00 C ATOM 1131 O ASN A 72 5.455 12.392 -6.342 1.00 0.00 O ATOM 1132 CB ASN A 72 4.917 9.385 -5.536 1.00 0.00 C ATOM 1133 CG ASN A 72 6.407 9.404 -5.815 1.00 0.00 C ATOM 1134 OD1 ASN A 72 7.077 10.416 -5.605 1.00 0.00 O ATOM 1135 ND2 ASN A 72 6.935 8.283 -6.292 1.00 0.00 N ATOM 0 H ASN A 72 2.759 9.585 -4.349 1.00 0.00 H new ATOM 0 HA ASN A 72 5.078 11.049 -4.179 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.693 8.587 -4.828 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.380 9.154 -6.456 1.00 0.00 H new ATOM 0 HD21 ASN A 72 7.933 8.237 -6.499 1.00 0.00 H new ATOM 0 HD22 ASN A 72 6.343 7.468 -6.451 1.00 0.00 H new ATOM 1142 N ASN A 73 3.276 11.986 -6.707 1.00 0.00 N ATOM 1143 CA ASN A 73 3.170 12.975 -7.773 1.00 0.00 C ATOM 1144 C ASN A 73 2.849 14.364 -7.217 1.00 0.00 C ATOM 1145 O ASN A 73 2.580 15.294 -7.977 1.00 0.00 O ATOM 1146 CB ASN A 73 2.096 12.556 -8.780 1.00 0.00 C ATOM 1147 CG ASN A 73 2.383 13.067 -10.178 1.00 0.00 C ATOM 1148 OD1 ASN A 73 2.720 12.295 -11.076 1.00 0.00 O ATOM 1149 ND2 ASN A 73 2.251 14.374 -10.370 1.00 0.00 N ATOM 0 H ASN A 73 2.410 11.488 -6.503 1.00 0.00 H new ATOM 0 HA ASN A 73 4.136 13.026 -8.276 1.00 0.00 H new ATOM 0 HB2 ASN A 73 2.026 11.468 -8.801 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.127 12.931 -8.451 1.00 0.00 H new ATOM 0 HD21 ASN A 73 2.431 14.775 -11.290 1.00 0.00 H new ATOM 0 HD22 ASN A 73 1.969 14.977 -9.597 1.00 0.00 H new ATOM 1156 N HIS A 74 2.876 14.503 -5.892 1.00 0.00 N ATOM 1157 CA HIS A 74 2.584 15.785 -5.260 1.00 0.00 C ATOM 1158 C HIS A 74 3.227 15.897 -3.887 1.00 0.00 C ATOM 1159 O HIS A 74 2.675 16.538 -2.994 1.00 0.00 O ATOM 1160 CB HIS A 74 1.073 15.994 -5.152 1.00 0.00 C ATOM 1161 CG HIS A 74 0.464 16.580 -6.388 1.00 0.00 C ATOM 1162 ND1 HIS A 74 1.115 17.496 -7.188 1.00 0.00 N ATOM 1163 CD2 HIS A 74 -0.746 16.377 -6.963 1.00 0.00 C ATOM 1164 CE1 HIS A 74 0.333 17.830 -8.199 1.00 0.00 C ATOM 1165 NE2 HIS A 74 -0.801 17.164 -8.085 1.00 0.00 N ATOM 0 H HIS A 74 3.096 13.749 -5.241 1.00 0.00 H new ATOM 0 HA HIS A 74 3.010 16.565 -5.891 1.00 0.00 H new ATOM 0 HB2 HIS A 74 0.596 15.037 -4.939 1.00 0.00 H new ATOM 0 HB3 HIS A 74 0.864 16.650 -4.307 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -1.523 15.718 -6.604 1.00 0.00 H new ATOM 0 HE1 HIS A 74 0.579 18.529 -8.985 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -1.591 17.225 -8.728 1.00 0.00 H new ATOM 1174 N LEU A 75 4.412 15.306 -3.729 1.00 0.00 N ATOM 1175 CA LEU A 75 5.136 15.389 -2.463 1.00 0.00 C ATOM 1176 C LEU A 75 5.227 16.850 -2.042 1.00 0.00 C ATOM 1177 O LEU A 75 6.151 17.561 -2.433 1.00 0.00 O ATOM 1178 CB LEU A 75 6.544 14.810 -2.613 1.00 0.00 C ATOM 1179 CG LEU A 75 6.830 13.563 -1.779 1.00 0.00 C ATOM 1180 CD1 LEU A 75 6.311 13.733 -0.360 1.00 0.00 C ATOM 1181 CD2 LEU A 75 6.217 12.337 -2.432 1.00 0.00 C ATOM 0 H LEU A 75 4.886 14.770 -4.455 1.00 0.00 H new ATOM 0 HA LEU A 75 4.603 14.813 -1.706 1.00 0.00 H new ATOM 0 HB2 LEU A 75 6.710 14.570 -3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.266 15.581 -2.344 1.00 0.00 H new ATOM 0 HG LEU A 75 7.910 13.423 -1.729 1.00 0.00 H new ATOM 0 HD11 LEU A 75 6.525 12.833 0.216 1.00 0.00 H new ATOM 0 HD12 LEU A 75 6.801 14.588 0.107 1.00 0.00 H new ATOM 0 HD13 LEU A 75 5.234 13.900 -0.384 1.00 0.00 H new ATOM 0 HD21 LEU A 75 6.430 11.457 -1.825 1.00 0.00 H new ATOM 0 HD22 LEU A 75 5.138 12.469 -2.514 1.00 0.00 H new ATOM 0 HD23 LEU A 75 6.642 12.204 -3.427 1.00 0.00 H new ATOM 1193 N GLN A 76 4.240 17.296 -1.283 1.00 0.00 N ATOM 1194 CA GLN A 76 4.182 18.681 -0.848 1.00 0.00 C ATOM 1195 C GLN A 76 5.336 19.022 0.093 1.00 0.00 C ATOM 1196 O GLN A 76 5.130 19.267 1.282 1.00 0.00 O ATOM 1197 CB GLN A 76 2.844 18.967 -0.163 1.00 0.00 C ATOM 1198 CG GLN A 76 2.631 18.171 1.116 1.00 0.00 C ATOM 1199 CD GLN A 76 2.262 19.049 2.296 1.00 0.00 C ATOM 1200 OE1 GLN A 76 1.338 18.741 3.047 1.00 0.00 O ATOM 1201 NE2 GLN A 76 2.986 20.150 2.463 1.00 0.00 N ATOM 0 H GLN A 76 3.467 16.718 -0.955 1.00 0.00 H new ATOM 0 HA GLN A 76 4.274 19.310 -1.733 1.00 0.00 H new ATOM 0 HB2 GLN A 76 2.783 20.031 0.067 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.035 18.744 -0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 76 1.843 17.436 0.955 1.00 0.00 H new ATOM 0 HG3 GLN A 76 3.540 17.617 1.350 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.744 20.365 1.815 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.784 20.780 3.239 1.00 0.00 H new ATOM 1210 N GLY A 77 6.549 19.039 -0.447 1.00 0.00 N ATOM 1211 CA GLY A 77 7.718 19.354 0.355 1.00 0.00 C ATOM 1212 C GLY A 77 7.880 18.424 1.541 1.00 0.00 C ATOM 1213 O GLY A 77 8.422 18.814 2.575 1.00 0.00 O ATOM 0 H GLY A 77 6.745 18.840 -1.428 1.00 0.00 H new ATOM 0 HA2 GLY A 77 8.609 19.298 -0.270 1.00 0.00 H new ATOM 0 HA3 GLY A 77 7.643 20.381 0.711 1.00 0.00 H new ATOM 1217 N GLY A 78 7.412 17.190 1.392 1.00 0.00 N ATOM 1218 CA GLY A 78 7.520 16.221 2.466 1.00 0.00 C ATOM 1219 C GLY A 78 7.949 14.854 1.972 1.00 0.00 C ATOM 1220 O GLY A 78 7.367 13.838 2.351 1.00 0.00 O ATOM 0 H GLY A 78 6.960 16.843 0.546 1.00 0.00 H new ATOM 0 HA2 GLY A 78 8.238 16.579 3.204 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.559 16.136 2.972 1.00 0.00 H new ATOM 1224 N LYS A 79 8.969 14.832 1.121 1.00 0.00 N ATOM 1225 CA LYS A 79 9.481 13.583 0.566 1.00 0.00 C ATOM 1226 C LYS A 79 9.804 12.581 1.668 1.00 0.00 C ATOM 1227 O LYS A 79 9.563 11.384 1.520 1.00 0.00 O ATOM 1228 CB LYS A 79 10.731 13.850 -0.274 1.00 0.00 C ATOM 1229 CG LYS A 79 10.438 14.538 -1.599 1.00 0.00 C ATOM 1230 CD LYS A 79 11.264 15.804 -1.765 1.00 0.00 C ATOM 1231 CE LYS A 79 10.896 16.848 -0.723 1.00 0.00 C ATOM 1232 NZ LYS A 79 11.498 18.175 -1.032 1.00 0.00 N ATOM 0 H LYS A 79 9.459 15.667 0.799 1.00 0.00 H new ATOM 0 HA LYS A 79 8.704 13.156 -0.068 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.421 14.467 0.302 1.00 0.00 H new ATOM 0 HB3 LYS A 79 11.237 12.904 -0.469 1.00 0.00 H new ATOM 0 HG2 LYS A 79 10.651 13.854 -2.420 1.00 0.00 H new ATOM 0 HG3 LYS A 79 9.378 14.784 -1.656 1.00 0.00 H new ATOM 0 HD2 LYS A 79 12.324 15.562 -1.681 1.00 0.00 H new ATOM 0 HD3 LYS A 79 11.108 16.213 -2.763 1.00 0.00 H new ATOM 0 HE2 LYS A 79 9.811 16.944 -0.672 1.00 0.00 H new ATOM 0 HE3 LYS A 79 11.233 16.516 0.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 11.224 18.860 -0.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 12.534 18.089 -1.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 11.157 18.504 -1.958 1.00 0.00 H new ATOM 1246 N HIS A 80 10.355 13.079 2.770 1.00 0.00 N ATOM 1247 CA HIS A 80 10.722 12.229 3.900 1.00 0.00 C ATOM 1248 C HIS A 80 9.576 11.308 4.304 1.00 0.00 C ATOM 1249 O HIS A 80 9.801 10.183 4.750 1.00 0.00 O ATOM 1250 CB HIS A 80 11.148 13.088 5.093 1.00 0.00 C ATOM 1251 CG HIS A 80 12.217 12.461 5.933 1.00 0.00 C ATOM 1252 ND1 HIS A 80 12.372 11.097 6.061 1.00 0.00 N ATOM 1253 CD2 HIS A 80 13.189 13.021 6.691 1.00 0.00 C ATOM 1254 CE1 HIS A 80 13.392 10.845 6.862 1.00 0.00 C ATOM 1255 NE2 HIS A 80 13.905 11.995 7.257 1.00 0.00 N ATOM 0 H HIS A 80 10.558 14.069 2.906 1.00 0.00 H new ATOM 0 HA HIS A 80 11.560 11.606 3.587 1.00 0.00 H new ATOM 0 HB2 HIS A 80 11.503 14.051 4.728 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.277 13.286 5.717 1.00 0.00 H new ATOM 0 HD1 HIS A 80 11.790 10.392 5.608 1.00 0.00 H new ATOM 0 HD2 HIS A 80 13.368 14.078 6.825 1.00 0.00 H new ATOM 0 HE1 HIS A 80 13.746 9.865 7.145 1.00 0.00 H new ATOM 1264 N THR A 81 8.348 11.782 4.136 1.00 0.00 N ATOM 1265 CA THR A 81 7.178 10.986 4.474 1.00 0.00 C ATOM 1266 C THR A 81 7.051 9.830 3.502 1.00 0.00 C ATOM 1267 O THR A 81 7.342 8.684 3.841 1.00 0.00 O ATOM 1268 CB THR A 81 5.918 11.859 4.442 1.00 0.00 C ATOM 1269 OG1 THR A 81 5.739 12.516 5.684 1.00 0.00 O ATOM 1270 CG2 THR A 81 4.635 11.102 4.141 1.00 0.00 C ATOM 0 H THR A 81 8.138 12.710 3.769 1.00 0.00 H new ATOM 0 HA THR A 81 7.292 10.587 5.482 1.00 0.00 H new ATOM 0 HB THR A 81 6.091 12.562 3.627 1.00 0.00 H new ATOM 0 HG1 THR A 81 4.963 12.136 6.146 1.00 0.00 H new ATOM 0 HG21 THR A 81 3.795 11.797 4.138 1.00 0.00 H new ATOM 0 HG22 THR A 81 4.715 10.625 3.164 1.00 0.00 H new ATOM 0 HG23 THR A 81 4.474 10.341 4.905 1.00 0.00 H new ATOM 1278 N VAL A 82 6.627 10.146 2.286 1.00 0.00 N ATOM 1279 CA VAL A 82 6.466 9.139 1.249 1.00 0.00 C ATOM 1280 C VAL A 82 7.708 8.273 1.137 1.00 0.00 C ATOM 1281 O VAL A 82 7.601 7.070 0.955 1.00 0.00 O ATOM 1282 CB VAL A 82 6.176 9.773 -0.120 1.00 0.00 C ATOM 1283 CG1 VAL A 82 5.834 8.700 -1.143 1.00 0.00 C ATOM 1284 CG2 VAL A 82 5.052 10.785 0.001 1.00 0.00 C ATOM 0 H VAL A 82 6.388 11.094 1.994 1.00 0.00 H new ATOM 0 HA VAL A 82 5.614 8.524 1.539 1.00 0.00 H new ATOM 0 HB VAL A 82 7.071 10.292 -0.464 1.00 0.00 H new ATOM 0 HG11 VAL A 82 5.632 9.167 -2.107 1.00 0.00 H new ATOM 0 HG12 VAL A 82 6.673 8.012 -1.243 1.00 0.00 H new ATOM 0 HG13 VAL A 82 4.952 8.151 -0.814 1.00 0.00 H new ATOM 0 HG21 VAL A 82 4.855 11.228 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 82 4.152 10.288 0.362 1.00 0.00 H new ATOM 0 HG23 VAL A 82 5.341 11.567 0.703 1.00 0.00 H new ATOM 1294 N HIS A 83 8.889 8.877 1.262 1.00 0.00 N ATOM 1295 CA HIS A 83 10.128 8.110 1.183 1.00 0.00 C ATOM 1296 C HIS A 83 10.031 6.894 2.094 1.00 0.00 C ATOM 1297 O HIS A 83 10.435 5.791 1.728 1.00 0.00 O ATOM 1298 CB HIS A 83 11.332 8.969 1.581 1.00 0.00 C ATOM 1299 CG HIS A 83 12.207 9.344 0.425 1.00 0.00 C ATOM 1300 ND1 HIS A 83 11.898 10.358 -0.457 1.00 0.00 N ATOM 1301 CD2 HIS A 83 13.391 8.835 0.009 1.00 0.00 C ATOM 1302 CE1 HIS A 83 12.853 10.456 -1.365 1.00 0.00 C ATOM 1303 NE2 HIS A 83 13.771 9.543 -1.104 1.00 0.00 N ATOM 0 H HIS A 83 9.012 9.878 1.416 1.00 0.00 H new ATOM 0 HA HIS A 83 10.271 7.785 0.152 1.00 0.00 H new ATOM 0 HB2 HIS A 83 10.975 9.878 2.066 1.00 0.00 H new ATOM 0 HB3 HIS A 83 11.927 8.428 2.316 1.00 0.00 H new ATOM 0 HD2 HIS A 83 13.935 8.023 0.468 1.00 0.00 H new ATOM 0 HE1 HIS A 83 12.879 11.162 -2.182 1.00 0.00 H new ATOM 0 HE2 HIS A 83 14.624 9.389 -1.642 1.00 0.00 H new ATOM 1312 N HIS A 84 9.467 7.110 3.278 1.00 0.00 N ATOM 1313 CA HIS A 84 9.285 6.039 4.245 1.00 0.00 C ATOM 1314 C HIS A 84 8.111 5.146 3.847 1.00 0.00 C ATOM 1315 O HIS A 84 8.085 3.959 4.169 1.00 0.00 O ATOM 1316 CB HIS A 84 9.056 6.618 5.643 1.00 0.00 C ATOM 1317 CG HIS A 84 9.857 5.939 6.709 1.00 0.00 C ATOM 1318 ND1 HIS A 84 9.969 4.568 6.810 1.00 0.00 N ATOM 1319 CD2 HIS A 84 10.590 6.450 7.727 1.00 0.00 C ATOM 1320 CE1 HIS A 84 10.735 4.266 7.844 1.00 0.00 C ATOM 1321 NE2 HIS A 84 11.125 5.388 8.416 1.00 0.00 N ATOM 0 H HIS A 84 9.128 8.020 3.589 1.00 0.00 H new ATOM 0 HA HIS A 84 10.191 5.433 4.259 1.00 0.00 H new ATOM 0 HB2 HIS A 84 9.305 7.679 5.633 1.00 0.00 H new ATOM 0 HB3 HIS A 84 7.997 6.541 5.891 1.00 0.00 H new ATOM 0 HD2 HIS A 84 10.728 7.497 7.955 1.00 0.00 H new ATOM 0 HE1 HIS A 84 10.997 3.269 8.166 1.00 0.00 H new ATOM 0 HE2 HIS A 84 11.726 5.457 9.237 1.00 0.00 H new ATOM 1330 N ILE A 85 7.135 5.730 3.151 1.00 0.00 N ATOM 1331 CA ILE A 85 5.955 4.984 2.720 1.00 0.00 C ATOM 1332 C ILE A 85 6.204 4.267 1.393 1.00 0.00 C ATOM 1333 O ILE A 85 5.688 3.176 1.169 1.00 0.00 O ATOM 1334 CB ILE A 85 4.670 5.879 2.656 1.00 0.00 C ATOM 1335 CG1 ILE A 85 4.219 6.183 1.227 1.00 0.00 C ATOM 1336 CG2 ILE A 85 4.853 7.171 3.426 1.00 0.00 C ATOM 1337 CD1 ILE A 85 2.718 6.365 1.108 1.00 0.00 C ATOM 0 H ILE A 85 7.139 6.712 2.875 1.00 0.00 H new ATOM 0 HA ILE A 85 5.768 4.225 3.480 1.00 0.00 H new ATOM 0 HB ILE A 85 3.881 5.292 3.127 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.718 7.087 0.878 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.535 5.371 0.571 1.00 0.00 H new ATOM 0 HG21 ILE A 85 3.942 7.766 3.360 1.00 0.00 H new ATOM 0 HG22 ILE A 85 5.063 6.945 4.471 1.00 0.00 H new ATOM 0 HG23 ILE A 85 5.685 7.733 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 85 2.458 6.578 0.071 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.214 5.453 1.428 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.401 7.195 1.740 1.00 0.00 H new ATOM 1349 N GLU A 86 7.010 4.872 0.525 1.00 0.00 N ATOM 1350 CA GLU A 86 7.334 4.271 -0.765 1.00 0.00 C ATOM 1351 C GLU A 86 8.313 3.124 -0.569 1.00 0.00 C ATOM 1352 O GLU A 86 8.148 2.053 -1.147 1.00 0.00 O ATOM 1353 CB GLU A 86 7.914 5.316 -1.725 1.00 0.00 C ATOM 1354 CG GLU A 86 9.014 6.167 -1.118 1.00 0.00 C ATOM 1355 CD GLU A 86 10.322 6.071 -1.882 1.00 0.00 C ATOM 1356 OE1 GLU A 86 10.487 5.107 -2.660 1.00 0.00 O ATOM 1357 OE2 GLU A 86 11.181 6.959 -1.700 1.00 0.00 O ATOM 0 H GLU A 86 7.450 5.777 0.691 1.00 0.00 H new ATOM 0 HA GLU A 86 6.417 3.882 -1.208 1.00 0.00 H new ATOM 0 HB2 GLU A 86 8.306 4.808 -2.606 1.00 0.00 H new ATOM 0 HB3 GLU A 86 7.110 5.968 -2.065 1.00 0.00 H new ATOM 0 HG2 GLU A 86 8.690 7.207 -1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 86 9.178 5.858 -0.086 1.00 0.00 H new ATOM 1364 N GLN A 87 9.314 3.337 0.281 1.00 0.00 N ATOM 1365 CA GLN A 87 10.283 2.293 0.572 1.00 0.00 C ATOM 1366 C GLN A 87 9.566 1.116 1.219 1.00 0.00 C ATOM 1367 O GLN A 87 9.970 -0.036 1.074 1.00 0.00 O ATOM 1368 CB GLN A 87 11.383 2.815 1.500 1.00 0.00 C ATOM 1369 CG GLN A 87 12.663 3.196 0.774 1.00 0.00 C ATOM 1370 CD GLN A 87 12.423 4.170 -0.362 1.00 0.00 C ATOM 1371 OE1 GLN A 87 12.332 5.379 -0.150 1.00 0.00 O ATOM 1372 NE2 GLN A 87 12.317 3.647 -1.578 1.00 0.00 N ATOM 0 H GLN A 87 9.472 4.216 0.775 1.00 0.00 H new ATOM 0 HA GLN A 87 10.752 1.973 -0.358 1.00 0.00 H new ATOM 0 HB2 GLN A 87 11.009 3.685 2.040 1.00 0.00 H new ATOM 0 HB3 GLN A 87 11.611 2.052 2.244 1.00 0.00 H new ATOM 0 HG2 GLN A 87 13.361 3.638 1.485 1.00 0.00 H new ATOM 0 HG3 GLN A 87 13.135 2.295 0.381 1.00 0.00 H new ATOM 0 HE21 GLN A 87 12.399 2.639 -1.708 1.00 0.00 H new ATOM 0 HE22 GLN A 87 12.154 4.254 -2.382 1.00 0.00 H new ATOM 1381 N ASN A 88 8.481 1.430 1.925 1.00 0.00 N ATOM 1382 CA ASN A 88 7.672 0.423 2.591 1.00 0.00 C ATOM 1383 C ASN A 88 6.687 -0.203 1.610 1.00 0.00 C ATOM 1384 O ASN A 88 6.676 -1.417 1.417 1.00 0.00 O ATOM 1385 CB ASN A 88 6.916 1.047 3.767 1.00 0.00 C ATOM 1386 CG ASN A 88 7.671 0.915 5.075 1.00 0.00 C ATOM 1387 OD1 ASN A 88 7.178 0.317 6.032 1.00 0.00 O ATOM 1388 ND2 ASN A 88 8.874 1.475 5.124 1.00 0.00 N ATOM 0 H ASN A 88 8.144 2.385 2.048 1.00 0.00 H new ATOM 0 HA ASN A 88 8.332 -0.358 2.969 1.00 0.00 H new ATOM 0 HB2 ASN A 88 6.735 2.102 3.560 1.00 0.00 H new ATOM 0 HB3 ASN A 88 5.941 0.569 3.863 1.00 0.00 H new ATOM 0 HD21 ASN A 88 9.428 1.419 5.979 1.00 0.00 H new ATOM 0 HD22 ASN A 88 9.244 1.961 4.307 1.00 0.00 H new ATOM 1395 N ILE A 89 5.857 0.636 0.991 1.00 0.00 N ATOM 1396 CA ILE A 89 4.864 0.159 0.035 1.00 0.00 C ATOM 1397 C ILE A 89 5.523 -0.477 -1.175 1.00 0.00 C ATOM 1398 O ILE A 89 5.184 -1.596 -1.558 1.00 0.00 O ATOM 1399 CB ILE A 89 3.900 1.286 -0.418 1.00 0.00 C ATOM 1400 CG1 ILE A 89 2.511 1.016 0.141 1.00 0.00 C ATOM 1401 CG2 ILE A 89 3.836 1.410 -1.940 1.00 0.00 C ATOM 1402 CD1 ILE A 89 1.922 2.185 0.909 1.00 0.00 C ATOM 0 H ILE A 89 5.854 1.646 1.135 1.00 0.00 H new ATOM 0 HA ILE A 89 4.275 -0.598 0.553 1.00 0.00 H new ATOM 0 HB ILE A 89 4.282 2.231 -0.032 1.00 0.00 H new ATOM 0 HG12 ILE A 89 1.842 0.759 -0.681 1.00 0.00 H new ATOM 0 HG13 ILE A 89 2.556 0.148 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 89 3.149 2.212 -2.211 1.00 0.00 H new ATOM 0 HG22 ILE A 89 4.829 1.636 -2.329 1.00 0.00 H new ATOM 0 HG23 ILE A 89 3.484 0.471 -2.367 1.00 0.00 H new ATOM 0 HD11 ILE A 89 0.931 1.917 1.276 1.00 0.00 H new ATOM 0 HD12 ILE A 89 2.568 2.429 1.752 1.00 0.00 H new ATOM 0 HD13 ILE A 89 1.843 3.050 0.251 1.00 0.00 H new ATOM 1414 N LYS A 90 6.463 0.229 -1.782 1.00 0.00 N ATOM 1415 CA LYS A 90 7.141 -0.310 -2.945 1.00 0.00 C ATOM 1416 C LYS A 90 7.829 -1.619 -2.580 1.00 0.00 C ATOM 1417 O LYS A 90 7.999 -2.499 -3.421 1.00 0.00 O ATOM 1418 CB LYS A 90 8.149 0.692 -3.512 1.00 0.00 C ATOM 1419 CG LYS A 90 7.547 2.055 -3.814 1.00 0.00 C ATOM 1420 CD LYS A 90 6.708 2.029 -5.083 1.00 0.00 C ATOM 1421 CE LYS A 90 7.188 3.062 -6.091 1.00 0.00 C ATOM 1422 NZ LYS A 90 8.546 2.742 -6.611 1.00 0.00 N ATOM 0 H LYS A 90 6.768 1.159 -1.495 1.00 0.00 H new ATOM 0 HA LYS A 90 6.399 -0.503 -3.720 1.00 0.00 H new ATOM 0 HB2 LYS A 90 8.966 0.814 -2.801 1.00 0.00 H new ATOM 0 HB3 LYS A 90 8.580 0.284 -4.426 1.00 0.00 H new ATOM 0 HG2 LYS A 90 6.929 2.374 -2.975 1.00 0.00 H new ATOM 0 HG3 LYS A 90 8.345 2.790 -3.920 1.00 0.00 H new ATOM 0 HD2 LYS A 90 6.753 1.036 -5.529 1.00 0.00 H new ATOM 0 HD3 LYS A 90 5.664 2.220 -4.834 1.00 0.00 H new ATOM 0 HE2 LYS A 90 6.484 3.113 -6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 90 7.201 4.047 -5.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.740 3.320 -7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.255 2.948 -5.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 8.592 1.734 -6.864 1.00 0.00 H new ATOM 1436 N GLU A 91 8.194 -1.748 -1.307 1.00 0.00 N ATOM 1437 CA GLU A 91 8.828 -2.961 -0.810 1.00 0.00 C ATOM 1438 C GLU A 91 7.768 -3.938 -0.299 1.00 0.00 C ATOM 1439 O GLU A 91 8.084 -5.051 0.119 1.00 0.00 O ATOM 1440 CB GLU A 91 9.818 -2.631 0.308 1.00 0.00 C ATOM 1441 CG GLU A 91 10.546 -3.850 0.855 1.00 0.00 C ATOM 1442 CD GLU A 91 11.666 -3.481 1.808 1.00 0.00 C ATOM 1443 OE1 GLU A 91 12.406 -2.519 1.512 1.00 0.00 O ATOM 1444 OE2 GLU A 91 11.803 -4.154 2.851 1.00 0.00 O ATOM 0 H GLU A 91 8.060 -1.024 -0.601 1.00 0.00 H new ATOM 0 HA GLU A 91 9.374 -3.426 -1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 91 10.552 -1.917 -0.067 1.00 0.00 H new ATOM 0 HB3 GLU A 91 9.284 -2.141 1.122 1.00 0.00 H new ATOM 0 HG2 GLU A 91 9.833 -4.494 1.370 1.00 0.00 H new ATOM 0 HG3 GLU A 91 10.955 -4.427 0.026 1.00 0.00 H new ATOM 1451 N ILE A 92 6.503 -3.512 -0.349 1.00 0.00 N ATOM 1452 CA ILE A 92 5.393 -4.338 0.089 1.00 0.00 C ATOM 1453 C ILE A 92 5.066 -5.357 -0.989 1.00 0.00 C ATOM 1454 O ILE A 92 4.917 -6.546 -0.713 1.00 0.00 O ATOM 1455 CB ILE A 92 4.148 -3.475 0.435 1.00 0.00 C ATOM 1456 CG1 ILE A 92 3.883 -3.519 1.940 1.00 0.00 C ATOM 1457 CG2 ILE A 92 2.911 -3.919 -0.331 1.00 0.00 C ATOM 1458 CD1 ILE A 92 5.081 -3.126 2.774 1.00 0.00 C ATOM 0 H ILE A 92 6.229 -2.592 -0.692 1.00 0.00 H new ATOM 0 HA ILE A 92 5.684 -4.862 1.000 1.00 0.00 H new ATOM 0 HB ILE A 92 4.365 -2.450 0.133 1.00 0.00 H new ATOM 0 HG12 ILE A 92 3.053 -2.853 2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 92 3.572 -4.526 2.217 1.00 0.00 H new ATOM 0 HG21 ILE A 92 2.067 -3.287 -0.056 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.096 -3.833 -1.402 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.683 -4.956 -0.084 1.00 0.00 H new ATOM 0 HD11 ILE A 92 4.822 -3.180 3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 92 5.907 -3.807 2.568 1.00 0.00 H new ATOM 0 HD13 ILE A 92 5.380 -2.108 2.525 1.00 0.00 H new ATOM 1470 N PHE A 93 4.987 -4.881 -2.227 1.00 0.00 N ATOM 1471 CA PHE A 93 4.704 -5.747 -3.360 1.00 0.00 C ATOM 1472 C PHE A 93 5.672 -6.934 -3.380 1.00 0.00 C ATOM 1473 O PHE A 93 5.351 -8.003 -3.895 1.00 0.00 O ATOM 1474 CB PHE A 93 4.818 -4.954 -4.667 1.00 0.00 C ATOM 1475 CG PHE A 93 6.153 -5.112 -5.331 1.00 0.00 C ATOM 1476 CD1 PHE A 93 7.309 -4.837 -4.628 1.00 0.00 C ATOM 1477 CD2 PHE A 93 6.254 -5.562 -6.634 1.00 0.00 C ATOM 1478 CE1 PHE A 93 8.544 -5.004 -5.207 1.00 0.00 C ATOM 1479 CE2 PHE A 93 7.490 -5.734 -7.225 1.00 0.00 C ATOM 1480 CZ PHE A 93 8.640 -5.456 -6.509 1.00 0.00 C ATOM 0 H PHE A 93 5.116 -3.898 -2.469 1.00 0.00 H new ATOM 0 HA PHE A 93 3.688 -6.128 -3.263 1.00 0.00 H new ATOM 0 HB2 PHE A 93 4.036 -5.280 -5.353 1.00 0.00 H new ATOM 0 HB3 PHE A 93 4.643 -3.898 -4.462 1.00 0.00 H new ATOM 0 HD1 PHE A 93 7.242 -4.486 -3.609 1.00 0.00 H new ATOM 0 HD2 PHE A 93 5.358 -5.781 -7.195 1.00 0.00 H new ATOM 0 HE1 PHE A 93 9.439 -4.782 -4.645 1.00 0.00 H new ATOM 0 HE2 PHE A 93 7.558 -6.085 -8.244 1.00 0.00 H new ATOM 0 HZ PHE A 93 9.609 -5.592 -6.966 1.00 0.00 H new ATOM 1490 N HIS A 94 6.866 -6.726 -2.821 1.00 0.00 N ATOM 1491 CA HIS A 94 7.882 -7.768 -2.781 1.00 0.00 C ATOM 1492 C HIS A 94 7.404 -8.912 -1.914 1.00 0.00 C ATOM 1493 O HIS A 94 7.174 -10.018 -2.398 1.00 0.00 O ATOM 1494 CB HIS A 94 9.205 -7.210 -2.248 1.00 0.00 C ATOM 1495 CG HIS A 94 10.393 -7.599 -3.072 1.00 0.00 C ATOM 1496 ND1 HIS A 94 10.392 -8.675 -3.935 1.00 0.00 N ATOM 1497 CD2 HIS A 94 11.626 -7.047 -3.165 1.00 0.00 C ATOM 1498 CE1 HIS A 94 11.573 -8.768 -4.521 1.00 0.00 C ATOM 1499 NE2 HIS A 94 12.338 -7.792 -4.071 1.00 0.00 N ATOM 0 H HIS A 94 7.148 -5.845 -2.392 1.00 0.00 H new ATOM 0 HA HIS A 94 8.052 -8.135 -3.793 1.00 0.00 H new ATOM 0 HB2 HIS A 94 9.141 -6.123 -2.207 1.00 0.00 H new ATOM 0 HB3 HIS A 94 9.352 -7.559 -1.226 1.00 0.00 H new ATOM 0 HD2 HIS A 94 11.983 -6.181 -2.626 1.00 0.00 H new ATOM 0 HE1 HIS A 94 11.862 -9.516 -5.245 1.00 0.00 H new ATOM 0 HE2 HIS A 94 13.303 -7.619 -4.351 1.00 0.00 H new ATOM 1508 N HIS A 95 7.219 -8.629 -0.632 1.00 0.00 N ATOM 1509 CA HIS A 95 6.728 -9.631 0.296 1.00 0.00 C ATOM 1510 C HIS A 95 5.337 -10.101 -0.130 1.00 0.00 C ATOM 1511 O HIS A 95 4.824 -11.095 0.385 1.00 0.00 O ATOM 1512 CB HIS A 95 6.682 -9.063 1.717 1.00 0.00 C ATOM 1513 CG HIS A 95 7.422 -9.896 2.718 1.00 0.00 C ATOM 1514 ND1 HIS A 95 8.619 -10.521 2.440 1.00 0.00 N ATOM 1515 CD2 HIS A 95 7.128 -10.204 4.003 1.00 0.00 C ATOM 1516 CE1 HIS A 95 9.029 -11.178 3.510 1.00 0.00 C ATOM 1517 NE2 HIS A 95 8.142 -11.002 4.472 1.00 0.00 N ATOM 0 H HIS A 95 7.402 -7.716 -0.215 1.00 0.00 H new ATOM 0 HA HIS A 95 7.408 -10.483 0.285 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.102 -8.057 1.711 1.00 0.00 H new ATOM 0 HB3 HIS A 95 5.642 -8.972 2.030 1.00 0.00 H new ATOM 0 HD1 HIS A 95 9.111 -10.482 1.547 1.00 0.00 H new ATOM 0 HD2 HIS A 95 6.258 -9.882 4.556 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.936 -11.760 3.585 1.00 0.00 H new ATOM 1526 N LEU A 96 4.731 -9.382 -1.079 1.00 0.00 N ATOM 1527 CA LEU A 96 3.405 -9.735 -1.572 1.00 0.00 C ATOM 1528 C LEU A 96 3.509 -10.698 -2.741 1.00 0.00 C ATOM 1529 O LEU A 96 3.101 -11.855 -2.646 1.00 0.00 O ATOM 1530 CB LEU A 96 2.650 -8.477 -1.991 1.00 0.00 C ATOM 1531 CG LEU A 96 2.164 -7.613 -0.836 1.00 0.00 C ATOM 1532 CD1 LEU A 96 1.283 -6.485 -1.347 1.00 0.00 C ATOM 1533 CD2 LEU A 96 1.416 -8.449 0.189 1.00 0.00 C ATOM 0 H LEU A 96 5.139 -8.556 -1.517 1.00 0.00 H new ATOM 0 HA LEU A 96 2.856 -10.226 -0.769 1.00 0.00 H new ATOM 0 HB2 LEU A 96 3.298 -7.876 -2.629 1.00 0.00 H new ATOM 0 HB3 LEU A 96 1.791 -8.769 -2.595 1.00 0.00 H new ATOM 0 HG LEU A 96 3.036 -7.178 -0.349 1.00 0.00 H new ATOM 0 HD11 LEU A 96 0.945 -5.878 -0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 96 1.852 -5.863 -2.038 1.00 0.00 H new ATOM 0 HD13 LEU A 96 0.419 -6.903 -1.863 1.00 0.00 H new ATOM 0 HD21 LEU A 96 1.079 -7.809 1.004 1.00 0.00 H new ATOM 0 HD22 LEU A 96 0.554 -8.919 -0.284 1.00 0.00 H new ATOM 0 HD23 LEU A 96 2.078 -9.220 0.583 1.00 0.00 H new ATOM 1545 N GLU A 97 4.076 -10.219 -3.839 1.00 0.00 N ATOM 1546 CA GLU A 97 4.255 -11.047 -5.019 1.00 0.00 C ATOM 1547 C GLU A 97 5.208 -12.196 -4.715 1.00 0.00 C ATOM 1548 O GLU A 97 5.293 -13.161 -5.475 1.00 0.00 O ATOM 1549 CB GLU A 97 4.789 -10.211 -6.184 1.00 0.00 C ATOM 1550 CG GLU A 97 4.689 -10.911 -7.529 1.00 0.00 C ATOM 1551 CD GLU A 97 4.913 -9.967 -8.694 1.00 0.00 C ATOM 1552 OE1 GLU A 97 3.944 -9.296 -9.109 1.00 0.00 O ATOM 1553 OE2 GLU A 97 6.057 -9.898 -9.191 1.00 0.00 O ATOM 0 H GLU A 97 4.419 -9.263 -3.936 1.00 0.00 H new ATOM 0 HA GLU A 97 3.287 -11.459 -5.304 1.00 0.00 H new ATOM 0 HB2 GLU A 97 4.237 -9.272 -6.230 1.00 0.00 H new ATOM 0 HB3 GLU A 97 5.832 -9.958 -5.992 1.00 0.00 H new ATOM 0 HG2 GLU A 97 5.423 -11.716 -7.571 1.00 0.00 H new ATOM 0 HG3 GLU A 97 3.706 -11.372 -7.623 1.00 0.00 H new ATOM 1560 N GLU A 98 5.920 -12.092 -3.591 1.00 0.00 N ATOM 1561 CA GLU A 98 6.857 -13.137 -3.191 1.00 0.00 C ATOM 1562 C GLU A 98 6.126 -14.261 -2.464 1.00 0.00 C ATOM 1563 O GLU A 98 6.582 -15.404 -2.447 1.00 0.00 O ATOM 1564 CB GLU A 98 7.957 -12.562 -2.297 1.00 0.00 C ATOM 1565 CG GLU A 98 9.013 -13.578 -1.898 1.00 0.00 C ATOM 1566 CD GLU A 98 9.642 -13.267 -0.555 1.00 0.00 C ATOM 1567 OE1 GLU A 98 8.900 -12.885 0.375 1.00 0.00 O ATOM 1568 OE2 GLU A 98 10.877 -13.406 -0.431 1.00 0.00 O ATOM 0 H GLU A 98 5.865 -11.302 -2.949 1.00 0.00 H new ATOM 0 HA GLU A 98 7.317 -13.543 -4.092 1.00 0.00 H new ATOM 0 HB2 GLU A 98 8.440 -11.734 -2.817 1.00 0.00 H new ATOM 0 HB3 GLU A 98 7.502 -12.151 -1.396 1.00 0.00 H new ATOM 0 HG2 GLU A 98 8.563 -14.570 -1.863 1.00 0.00 H new ATOM 0 HG3 GLU A 98 9.791 -13.607 -2.661 1.00 0.00 H new ATOM 1575 N LEU A 99 4.982 -13.930 -1.870 1.00 0.00 N ATOM 1576 CA LEU A 99 4.184 -14.912 -1.147 1.00 0.00 C ATOM 1577 C LEU A 99 3.533 -15.894 -2.112 1.00 0.00 C ATOM 1578 O LEU A 99 3.793 -17.096 -2.059 1.00 0.00 O ATOM 1579 CB LEU A 99 3.106 -14.215 -0.315 1.00 0.00 C ATOM 1580 CG LEU A 99 2.340 -15.129 0.642 1.00 0.00 C ATOM 1581 CD1 LEU A 99 3.262 -15.653 1.731 1.00 0.00 C ATOM 1582 CD2 LEU A 99 1.156 -14.392 1.248 1.00 0.00 C ATOM 0 H LEU A 99 4.588 -12.989 -1.876 1.00 0.00 H new ATOM 0 HA LEU A 99 4.848 -15.463 -0.481 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.573 -13.417 0.263 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.394 -13.743 -0.992 1.00 0.00 H new ATOM 0 HG LEU A 99 1.960 -15.981 0.077 1.00 0.00 H new ATOM 0 HD11 LEU A 99 2.700 -16.302 2.403 1.00 0.00 H new ATOM 0 HD12 LEU A 99 4.076 -16.218 1.278 1.00 0.00 H new ATOM 0 HD13 LEU A 99 3.672 -14.815 2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 99 0.622 -15.057 1.927 1.00 0.00 H new ATOM 0 HD22 LEU A 99 1.512 -13.522 1.799 1.00 0.00 H new ATOM 0 HD23 LEU A 99 0.484 -14.068 0.454 1.00 0.00 H new ATOM 1594 N VAL A 100 2.687 -15.375 -2.995 1.00 0.00 N ATOM 1595 CA VAL A 100 2.001 -16.214 -3.971 1.00 0.00 C ATOM 1596 C VAL A 100 2.988 -16.833 -4.954 1.00 0.00 C ATOM 1597 O VAL A 100 2.775 -17.940 -5.449 1.00 0.00 O ATOM 1598 CB VAL A 100 0.943 -15.418 -4.757 1.00 0.00 C ATOM 1599 CG1 VAL A 100 0.117 -16.346 -5.638 1.00 0.00 C ATOM 1600 CG2 VAL A 100 0.051 -14.638 -3.805 1.00 0.00 C ATOM 0 H VAL A 100 2.460 -14.382 -3.055 1.00 0.00 H new ATOM 0 HA VAL A 100 1.504 -17.006 -3.410 1.00 0.00 H new ATOM 0 HB VAL A 100 1.456 -14.707 -5.405 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -0.625 -15.764 -6.185 1.00 0.00 H new ATOM 0 HG12 VAL A 100 0.772 -16.855 -6.345 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -0.388 -17.084 -5.015 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -0.691 -14.081 -4.376 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -0.454 -15.330 -3.131 1.00 0.00 H new ATOM 0 HG23 VAL A 100 0.658 -13.944 -3.224 1.00 0.00 H new ATOM 1610 N HIS A 101 4.067 -16.112 -5.234 1.00 0.00 N ATOM 1611 CA HIS A 101 5.088 -16.590 -6.160 1.00 0.00 C ATOM 1612 C HIS A 101 6.287 -17.158 -5.406 1.00 0.00 C ATOM 1613 O HIS A 101 7.425 -17.060 -5.866 1.00 0.00 O ATOM 1614 CB HIS A 101 5.540 -15.455 -7.081 1.00 0.00 C ATOM 1615 CG HIS A 101 5.731 -15.881 -8.503 1.00 0.00 C ATOM 1616 ND1 HIS A 101 6.260 -17.104 -8.859 1.00 0.00 N ATOM 1617 CD2 HIS A 101 5.457 -15.239 -9.665 1.00 0.00 C ATOM 1618 CE1 HIS A 101 6.305 -17.196 -10.176 1.00 0.00 C ATOM 1619 NE2 HIS A 101 5.823 -16.078 -10.688 1.00 0.00 N ATOM 0 H HIS A 101 4.258 -15.194 -4.833 1.00 0.00 H new ATOM 0 HA HIS A 101 4.652 -17.387 -6.762 1.00 0.00 H new ATOM 0 HB2 HIS A 101 4.802 -14.654 -7.046 1.00 0.00 H new ATOM 0 HB3 HIS A 101 6.476 -15.043 -6.704 1.00 0.00 H new ATOM 0 HD2 HIS A 101 5.031 -14.252 -9.767 1.00 0.00 H new ATOM 0 HE1 HIS A 101 6.673 -18.041 -10.738 1.00 0.00 H new ATOM 0 HE2 HIS A 101 5.737 -15.871 -11.683 1.00 0.00 H new ATOM 1628 N ARG A 102 6.024 -17.752 -4.247 1.00 0.00 N ATOM 1629 CA ARG A 102 7.083 -18.337 -3.432 1.00 0.00 C ATOM 1630 C ARG A 102 7.319 -19.796 -3.811 1.00 0.00 C ATOM 1631 O ARG A 102 8.218 -20.053 -4.638 1.00 0.00 O ATOM 1632 CB ARG A 102 6.731 -18.234 -1.947 1.00 0.00 C ATOM 1633 CG ARG A 102 7.920 -17.894 -1.061 1.00 0.00 C ATOM 1634 CD ARG A 102 8.284 -19.051 -0.144 1.00 0.00 C ATOM 1635 NE ARG A 102 9.461 -18.754 0.670 1.00 0.00 N ATOM 1636 CZ ARG A 102 10.710 -18.798 0.213 1.00 0.00 C ATOM 1637 NH1 ARG A 102 10.951 -19.127 -1.051 1.00 0.00 N ATOM 1638 NH2 ARG A 102 11.721 -18.514 1.021 1.00 0.00 N ATOM 1639 OXT ARG A 102 6.602 -20.668 -3.277 1.00 0.00 O ATOM 0 H ARG A 102 5.088 -17.841 -3.851 1.00 0.00 H new ATOM 0 HA ARG A 102 8.000 -17.779 -3.619 1.00 0.00 H new ATOM 0 HB2 ARG A 102 5.962 -17.473 -1.817 1.00 0.00 H new ATOM 0 HB3 ARG A 102 6.302 -19.180 -1.617 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.777 -17.639 -1.684 1.00 0.00 H new ATOM 0 HG3 ARG A 102 7.688 -17.013 -0.462 1.00 0.00 H new ATOM 0 HD2 ARG A 102 7.440 -19.277 0.508 1.00 0.00 H new ATOM 0 HD3 ARG A 102 8.472 -19.943 -0.742 1.00 0.00 H new ATOM 0 HE ARG A 102 9.316 -18.498 1.647 1.00 0.00 H new ATOM 0 HH11 ARG A 102 10.177 -19.348 -1.677 1.00 0.00 H new ATOM 0 HH12 ARG A 102 11.910 -19.159 -1.396 1.00 0.00 H new ATOM 0 HH21 ARG A 102 11.542 -18.262 1.993 1.00 0.00 H new ATOM 0 HH22 ARG A 102 12.679 -18.548 0.671 1.00 0.00 H new