USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 970 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 119 LYS NZ :NH3+ -120:sc= 0.743 (180deg=0) USER MOD Set 1.2: A 123 HIS : no HE2:sc= 0.452 K(o=1.2,f=-2.8) USER MOD Set 2.1: A 95 HIS : no HE2:sc= -0.022 X(o=-0.023,f=0.21) USER MOD Set 2.2: A 99 LYS NZ :NH3+ -169:sc=-0.000894 (180deg=0) USER MOD Set 3.1: A 74 MET CE :methyl -125:sc= -0.391 (180deg=-2.01) USER MOD Set 3.2: A 88 GLN : amide:sc= 0.816 K(o=0.42,f=-0.95) USER MOD Set 4.1: A 35 ASN : amide:sc= -2.9 K(o=-2.9,f=-5.3!) USER MOD Set 4.2: A 41 TYR OH : rot 169:sc= 0.0268 USER MOD Set 5.1: A 20 LYS NZ :NH3+ -150:sc= 0.117 (180deg=1.14) USER MOD Set 5.2: A 30 ASN : amide:sc= -2.18! C(o=-2.1!,f=-2.1!) USER MOD Set 6.1: A 5 MET CE :methyl -170:sc= -0.0086 (180deg=-0.109) USER MOD Set 6.2: A 9 SER OG : rot 180:sc= 0 USER MOD Set 7.1: A 7 ASN : amide:sc= -0.0507 K(o=-0.5,f=-1.9) USER MOD Set 7.2: A 11 ASN : amide:sc= -0.451 K(o=-0.5,f=-2!) USER MOD Single : A 1 SER N :NH3+ -166:sc= 0.925 (180deg=0.796) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= -0.192 K(o=-0.19,f=-1) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -139:sc= -0.0427 (180deg=-1.05) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot -170:sc=-0.00608 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ -133:sc= 0.827 (180deg=-2.98!) USER MOD Single : A 45 ASN : amide:sc=-0.00342 X(o=-0.0034,f=0) USER MOD Single : A 48 THR OG1 : rot 157:sc= 1.26 USER MOD Single : A 53 MET CE :methyl -123:sc= -0.0805 (180deg=-1.57) USER MOD Single : A 56 SER OG : rot 80:sc= 1.28 USER MOD Single : A 57 THR OG1 : rot 180:sc=-0.00522 USER MOD Single : A 58 LYS NZ :NH3+ -166:sc= 1.96 (180deg=1.4) USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= 0.0706 X(o=0.071,f=-0.16) USER MOD Single : A 69 HIS : no HD1:sc= -0.539 K(o=-0.54,f=-1.9) USER MOD Single : A 70 HIS : no HD1:sc= -0.206 X(o=-0.21,f=-0.22) USER MOD Single : A 72 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -1.36 K(o=-1.4,f=-7!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.32) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -170:sc= 0 USER MOD Single : A 104 ASN : amide:sc= -1.27 K(o=-1.3,f=-4.4!) USER MOD Single : A 107 LYS NZ :NH3+ -175:sc= 0.0183 (180deg=0.0153) USER MOD Single : A 111 THR OG1 : rot -6:sc= 0.244 USER MOD Single : A 116 THR OG1 : rot 88:sc= 1.23 USER MOD Single : A 124 LYS NZ :NH3+ 170:sc= 1.29 (180deg=1.26) USER MOD Single : A 126 ASN : amide:sc= 0.438 X(o=0.44,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.026 -8.276 0.520 1.00 0.00 N ATOM 2 CA SER A 1 13.853 -9.180 1.659 1.00 0.00 C ATOM 3 C SER A 1 12.367 -9.360 1.933 1.00 0.00 C ATOM 4 O SER A 1 11.662 -8.366 2.107 1.00 0.00 O ATOM 5 CB SER A 1 14.540 -8.640 2.912 1.00 0.00 C ATOM 6 OG SER A 1 15.930 -8.487 2.716 1.00 0.00 O ATOM 0 H1 SER A 1 15.007 -8.332 0.178 1.00 0.00 H new ATOM 0 H2 SER A 1 13.376 -8.552 -0.244 1.00 0.00 H new ATOM 0 H3 SER A 1 13.818 -7.301 0.816 1.00 0.00 H new ATOM 0 HA SER A 1 14.312 -10.137 1.409 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.102 -7.679 3.183 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.362 -9.318 3.747 1.00 0.00 H new ATOM 0 HG SER A 1 16.339 -8.138 3.535 1.00 0.00 H new ATOM 12 N GLN A 2 11.898 -10.606 1.979 1.00 0.00 N ATOM 13 CA GLN A 2 10.509 -10.978 2.229 1.00 0.00 C ATOM 14 C GLN A 2 10.079 -10.570 3.644 1.00 0.00 C ATOM 15 O GLN A 2 9.028 -9.966 3.833 1.00 0.00 O ATOM 16 CB GLN A 2 10.381 -12.505 2.028 1.00 0.00 C ATOM 17 CG GLN A 2 9.199 -12.924 1.151 1.00 0.00 C ATOM 18 CD GLN A 2 7.851 -12.747 1.842 1.00 0.00 C ATOM 19 OE1 GLN A 2 7.361 -11.646 2.029 1.00 0.00 O ATOM 20 NE2 GLN A 2 7.218 -13.825 2.268 1.00 0.00 N ATOM 0 H GLN A 2 12.501 -11.416 1.837 1.00 0.00 H new ATOM 0 HA GLN A 2 9.851 -10.456 1.535 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.302 -12.880 1.581 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.283 -12.982 3.003 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.210 -12.338 0.232 1.00 0.00 H new ATOM 0 HG3 GLN A 2 9.319 -13.969 0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.623 -14.748 2.114 1.00 0.00 H new ATOM 0 HE22 GLN A 2 6.324 -13.734 2.751 1.00 0.00 H new ATOM 29 N GLU A 3 10.905 -10.892 4.643 1.00 0.00 N ATOM 30 CA GLU A 3 10.547 -10.860 6.058 1.00 0.00 C ATOM 31 C GLU A 3 9.963 -9.508 6.466 1.00 0.00 C ATOM 32 O GLU A 3 8.835 -9.428 6.959 1.00 0.00 O ATOM 33 CB GLU A 3 11.809 -11.207 6.850 1.00 0.00 C ATOM 34 CG GLU A 3 11.561 -11.356 8.352 1.00 0.00 C ATOM 35 CD GLU A 3 12.778 -11.997 9.016 1.00 0.00 C ATOM 36 OE1 GLU A 3 13.847 -11.342 9.064 1.00 0.00 O ATOM 37 OE2 GLU A 3 12.702 -13.171 9.443 1.00 0.00 O ATOM 0 H GLU A 3 11.867 -11.190 4.482 1.00 0.00 H new ATOM 0 HA GLU A 3 9.762 -11.586 6.269 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.227 -12.137 6.464 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.556 -10.430 6.688 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.365 -10.380 8.796 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.676 -11.969 8.525 1.00 0.00 H new ATOM 44 N VAL A 4 10.730 -8.448 6.223 1.00 0.00 N ATOM 45 CA VAL A 4 10.354 -7.090 6.569 1.00 0.00 C ATOM 46 C VAL A 4 9.204 -6.605 5.673 1.00 0.00 C ATOM 47 O VAL A 4 8.442 -5.739 6.091 1.00 0.00 O ATOM 48 CB VAL A 4 11.593 -6.172 6.469 1.00 0.00 C ATOM 49 CG1 VAL A 4 11.340 -4.819 7.149 1.00 0.00 C ATOM 50 CG2 VAL A 4 12.865 -6.774 7.091 1.00 0.00 C ATOM 0 H VAL A 4 11.643 -8.515 5.773 1.00 0.00 H new ATOM 0 HA VAL A 4 9.992 -7.060 7.597 1.00 0.00 H new ATOM 0 HB VAL A 4 11.757 -6.050 5.398 1.00 0.00 H new ATOM 0 HG11 VAL A 4 12.230 -4.196 7.062 1.00 0.00 H new ATOM 0 HG12 VAL A 4 10.499 -4.321 6.666 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.111 -4.979 8.203 1.00 0.00 H new ATOM 0 HG21 VAL A 4 13.691 -6.071 6.982 1.00 0.00 H new ATOM 0 HG22 VAL A 4 12.694 -6.972 8.149 1.00 0.00 H new ATOM 0 HG23 VAL A 4 13.112 -7.706 6.583 1.00 0.00 H new ATOM 60 N MET A 5 9.039 -7.142 4.457 1.00 0.00 N ATOM 61 CA MET A 5 7.962 -6.753 3.549 1.00 0.00 C ATOM 62 C MET A 5 6.612 -7.108 4.173 1.00 0.00 C ATOM 63 O MET A 5 5.752 -6.232 4.284 1.00 0.00 O ATOM 64 CB MET A 5 8.158 -7.397 2.163 1.00 0.00 C ATOM 65 CG MET A 5 7.874 -6.436 1.003 1.00 0.00 C ATOM 66 SD MET A 5 6.139 -6.088 0.640 1.00 0.00 S ATOM 67 CE MET A 5 5.853 -4.490 1.421 1.00 0.00 C ATOM 0 H MET A 5 9.654 -7.862 4.077 1.00 0.00 H new ATOM 0 HA MET A 5 7.984 -5.674 3.396 1.00 0.00 H new ATOM 0 HB2 MET A 5 9.182 -7.762 2.081 1.00 0.00 H new ATOM 0 HB3 MET A 5 7.503 -8.264 2.077 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.373 -5.490 1.215 1.00 0.00 H new ATOM 0 HG3 MET A 5 8.334 -6.844 0.103 1.00 0.00 H new ATOM 0 HE1 MET A 5 4.786 -4.267 1.414 1.00 0.00 H new ATOM 0 HE2 MET A 5 6.211 -4.519 2.450 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.389 -3.716 0.872 1.00 0.00 H new ATOM 77 N LYS A 6 6.455 -8.349 4.656 1.00 0.00 N ATOM 78 CA LYS A 6 5.253 -8.768 5.382 1.00 0.00 C ATOM 79 C LYS A 6 5.008 -7.822 6.547 1.00 0.00 C ATOM 80 O LYS A 6 3.941 -7.230 6.647 1.00 0.00 O ATOM 81 CB LYS A 6 5.359 -10.205 5.916 1.00 0.00 C ATOM 82 CG LYS A 6 5.648 -11.249 4.839 1.00 0.00 C ATOM 83 CD LYS A 6 5.650 -12.671 5.415 1.00 0.00 C ATOM 84 CE LYS A 6 4.231 -13.184 5.670 1.00 0.00 C ATOM 85 NZ LYS A 6 4.220 -14.629 5.973 1.00 0.00 N ATOM 0 H LYS A 6 7.154 -9.084 4.554 1.00 0.00 H new ATOM 0 HA LYS A 6 4.422 -8.737 4.677 1.00 0.00 H new ATOM 0 HB2 LYS A 6 6.148 -10.245 6.667 1.00 0.00 H new ATOM 0 HB3 LYS A 6 4.427 -10.465 6.418 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.898 -11.176 4.051 1.00 0.00 H new ATOM 0 HG3 LYS A 6 6.614 -11.041 4.380 1.00 0.00 H new ATOM 0 HD2 LYS A 6 6.160 -13.342 4.724 1.00 0.00 H new ATOM 0 HD3 LYS A 6 6.214 -12.684 6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.789 -12.634 6.501 1.00 0.00 H new ATOM 0 HE3 LYS A 6 3.611 -12.991 4.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 3.242 -14.941 6.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.619 -15.155 5.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 4.791 -14.810 6.823 1.00 0.00 H new ATOM 99 N ASN A 7 6.002 -7.670 7.421 1.00 0.00 N ATOM 100 CA ASN A 7 5.888 -6.903 8.656 1.00 0.00 C ATOM 101 C ASN A 7 5.533 -5.437 8.407 1.00 0.00 C ATOM 102 O ASN A 7 4.775 -4.844 9.173 1.00 0.00 O ATOM 103 CB ASN A 7 7.234 -6.968 9.369 1.00 0.00 C ATOM 104 CG ASN A 7 7.196 -6.288 10.731 1.00 0.00 C ATOM 105 OD1 ASN A 7 6.230 -6.394 11.481 1.00 0.00 O ATOM 106 ND2 ASN A 7 8.247 -5.579 11.083 1.00 0.00 N ATOM 0 H ASN A 7 6.924 -8.084 7.286 1.00 0.00 H new ATOM 0 HA ASN A 7 5.084 -7.333 9.254 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.528 -8.010 9.493 1.00 0.00 H new ATOM 0 HB3 ASN A 7 7.995 -6.494 8.749 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.266 -5.110 11.988 1.00 0.00 H new ATOM 0 HD22 ASN A 7 9.043 -5.499 10.451 1.00 0.00 H new ATOM 113 N LEU A 8 6.073 -4.843 7.341 1.00 0.00 N ATOM 114 CA LEU A 8 5.750 -3.494 6.898 1.00 0.00 C ATOM 115 C LEU A 8 4.273 -3.420 6.542 1.00 0.00 C ATOM 116 O LEU A 8 3.553 -2.599 7.103 1.00 0.00 O ATOM 117 CB LEU A 8 6.628 -3.098 5.697 1.00 0.00 C ATOM 118 CG LEU A 8 7.994 -2.548 6.133 1.00 0.00 C ATOM 119 CD1 LEU A 8 8.990 -2.553 4.975 1.00 0.00 C ATOM 120 CD2 LEU A 8 7.865 -1.097 6.585 1.00 0.00 C ATOM 0 H LEU A 8 6.765 -5.303 6.749 1.00 0.00 H new ATOM 0 HA LEU A 8 5.953 -2.789 7.704 1.00 0.00 H new ATOM 0 HB2 LEU A 8 6.776 -3.967 5.055 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.109 -2.347 5.102 1.00 0.00 H new ATOM 0 HG LEU A 8 8.344 -3.189 6.943 1.00 0.00 H new ATOM 0 HD11 LEU A 8 9.947 -2.158 5.316 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.126 -3.573 4.616 1.00 0.00 H new ATOM 0 HD13 LEU A 8 8.609 -1.931 4.165 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.842 -0.723 6.891 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.486 -0.492 5.762 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.175 -1.038 7.426 1.00 0.00 H new ATOM 132 N SER A 9 3.807 -4.290 5.648 1.00 0.00 N ATOM 133 CA SER A 9 2.408 -4.335 5.229 1.00 0.00 C ATOM 134 C SER A 9 1.452 -4.678 6.380 1.00 0.00 C ATOM 135 O SER A 9 0.314 -4.203 6.423 1.00 0.00 O ATOM 136 CB SER A 9 2.296 -5.354 4.098 1.00 0.00 C ATOM 137 OG SER A 9 2.740 -4.739 2.906 1.00 0.00 O ATOM 0 H SER A 9 4.394 -4.988 5.191 1.00 0.00 H new ATOM 0 HA SER A 9 2.107 -3.344 4.888 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.899 -6.235 4.319 1.00 0.00 H new ATOM 0 HB3 SER A 9 1.265 -5.692 3.991 1.00 0.00 H new ATOM 0 HG SER A 9 2.678 -5.378 2.166 1.00 0.00 H new ATOM 143 N LEU A 10 1.925 -5.444 7.359 1.00 0.00 N ATOM 144 CA LEU A 10 1.183 -5.881 8.516 1.00 0.00 C ATOM 145 C LEU A 10 0.910 -4.674 9.384 1.00 0.00 C ATOM 146 O LEU A 10 -0.208 -4.464 9.856 1.00 0.00 O ATOM 147 CB LEU A 10 2.023 -6.933 9.251 1.00 0.00 C ATOM 148 CG LEU A 10 1.334 -7.476 10.509 1.00 0.00 C ATOM 149 CD1 LEU A 10 0.743 -8.855 10.262 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.306 -7.513 11.682 1.00 0.00 C ATOM 0 H LEU A 10 2.885 -5.789 7.358 1.00 0.00 H new ATOM 0 HA LEU A 10 0.228 -6.331 8.244 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.234 -7.760 8.573 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.982 -6.495 9.529 1.00 0.00 H new ATOM 0 HG LEU A 10 0.516 -6.800 10.758 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.262 -9.213 11.172 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.006 -8.797 9.461 1.00 0.00 H new ATOM 0 HD13 LEU A 10 1.537 -9.545 9.976 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.797 -7.901 12.564 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.149 -8.159 11.436 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.668 -6.505 11.886 1.00 0.00 H new ATOM 162 N ASN A 11 1.966 -3.896 9.591 1.00 0.00 N ATOM 163 CA ASN A 11 1.923 -2.732 10.442 1.00 0.00 C ATOM 164 C ASN A 11 1.238 -1.551 9.752 1.00 0.00 C ATOM 165 O ASN A 11 0.556 -0.769 10.410 1.00 0.00 O ATOM 166 CB ASN A 11 3.331 -2.374 10.904 1.00 0.00 C ATOM 167 CG ASN A 11 3.710 -3.126 12.176 1.00 0.00 C ATOM 168 OD1 ASN A 11 3.345 -2.730 13.282 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.405 -4.241 12.058 1.00 0.00 N ATOM 0 H ASN A 11 2.878 -4.064 9.166 1.00 0.00 H new ATOM 0 HA ASN A 11 1.322 -2.970 11.320 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.045 -2.609 10.115 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.395 -1.301 11.082 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.644 -4.783 12.888 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.703 -4.561 11.137 1.00 0.00 H new ATOM 176 N PHE A 12 1.366 -1.434 8.429 1.00 0.00 N ATOM 177 CA PHE A 12 0.583 -0.527 7.594 1.00 0.00 C ATOM 178 C PHE A 12 -0.905 -0.782 7.867 1.00 0.00 C ATOM 179 O PHE A 12 -1.637 0.134 8.230 1.00 0.00 O ATOM 180 CB PHE A 12 1.008 -0.736 6.127 1.00 0.00 C ATOM 181 CG PHE A 12 0.219 -0.019 5.040 1.00 0.00 C ATOM 182 CD1 PHE A 12 -0.875 -0.661 4.427 1.00 0.00 C ATOM 183 CD2 PHE A 12 0.622 1.245 4.563 1.00 0.00 C ATOM 184 CE1 PHE A 12 -1.576 -0.030 3.383 1.00 0.00 C ATOM 185 CE2 PHE A 12 -0.100 1.894 3.550 1.00 0.00 C ATOM 186 CZ PHE A 12 -1.203 1.259 2.963 1.00 0.00 C ATOM 0 H PHE A 12 2.038 -1.985 7.895 1.00 0.00 H new ATOM 0 HA PHE A 12 0.763 0.523 7.824 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.051 -0.433 6.036 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.967 -1.805 5.918 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.177 -1.643 4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 12 1.497 1.719 4.982 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.401 -0.536 2.904 1.00 0.00 H new ATOM 0 HE2 PHE A 12 0.194 2.881 3.223 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.766 1.759 2.189 1.00 0.00 H new ATOM 196 N GLY A 13 -1.342 -2.044 7.830 1.00 0.00 N ATOM 197 CA GLY A 13 -2.710 -2.439 8.144 1.00 0.00 C ATOM 198 C GLY A 13 -3.127 -2.298 9.617 1.00 0.00 C ATOM 199 O GLY A 13 -4.217 -2.767 9.967 1.00 0.00 O ATOM 0 H GLY A 13 -0.742 -2.829 7.577 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.389 -1.842 7.535 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.845 -3.479 7.846 1.00 0.00 H new ATOM 203 N LYS A 14 -2.329 -1.705 10.521 1.00 0.00 N ATOM 204 CA LYS A 14 -2.790 -1.502 11.902 1.00 0.00 C ATOM 205 C LYS A 14 -3.960 -0.524 11.957 1.00 0.00 C ATOM 206 O LYS A 14 -4.915 -0.788 12.678 1.00 0.00 O ATOM 207 CB LYS A 14 -1.677 -1.056 12.863 1.00 0.00 C ATOM 208 CG LYS A 14 -0.654 -2.164 13.155 1.00 0.00 C ATOM 209 CD LYS A 14 -0.182 -2.241 14.612 1.00 0.00 C ATOM 210 CE LYS A 14 0.604 -3.542 14.812 1.00 0.00 C ATOM 211 NZ LYS A 14 1.101 -3.721 16.187 1.00 0.00 N ATOM 0 H LYS A 14 -1.387 -1.366 10.327 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.125 -2.481 12.245 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.161 -0.196 12.437 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.125 -0.727 13.801 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -1.091 -3.124 12.879 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.215 -2.014 12.515 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.445 -1.382 14.851 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.037 -2.210 15.287 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -0.034 -4.387 14.552 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.449 -3.557 14.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.623 -4.618 16.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 1.734 -2.933 16.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.298 -3.738 16.847 1.00 0.00 H new ATOM 225 N ALA A 15 -3.959 0.562 11.180 1.00 0.00 N ATOM 226 CA ALA A 15 -5.040 1.551 11.229 1.00 0.00 C ATOM 227 C ALA A 15 -6.256 1.185 10.355 1.00 0.00 C ATOM 228 O ALA A 15 -7.105 2.037 10.098 1.00 0.00 O ATOM 229 CB ALA A 15 -4.486 2.934 10.879 1.00 0.00 C ATOM 0 H ALA A 15 -3.222 0.779 10.509 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.422 1.561 12.250 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.291 3.668 10.916 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -3.712 3.208 11.596 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.060 2.912 9.876 1.00 0.00 H new ATOM 235 N LEU A 16 -6.335 -0.043 9.832 1.00 0.00 N ATOM 236 CA LEU A 16 -7.342 -0.400 8.833 1.00 0.00 C ATOM 237 C LEU A 16 -8.748 -0.375 9.428 1.00 0.00 C ATOM 238 O LEU A 16 -9.668 0.112 8.780 1.00 0.00 O ATOM 239 CB LEU A 16 -7.020 -1.790 8.254 1.00 0.00 C ATOM 240 CG LEU A 16 -8.068 -2.287 7.241 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.091 -1.440 5.968 1.00 0.00 C ATOM 242 CD2 LEU A 16 -7.819 -3.747 6.871 1.00 0.00 C ATOM 0 H LEU A 16 -5.710 -0.808 10.087 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.315 0.339 8.032 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.044 -1.757 7.770 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -6.946 -2.508 9.071 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.038 -2.194 7.729 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.846 -1.830 5.285 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.330 -0.407 6.222 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.113 -1.478 5.488 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.572 -4.074 6.154 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.829 -3.846 6.427 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -7.878 -4.365 7.767 1.00 0.00 H new ATOM 254 N ASP A 17 -8.933 -0.904 10.637 1.00 0.00 N ATOM 255 CA ASP A 17 -10.253 -1.080 11.244 1.00 0.00 C ATOM 256 C ASP A 17 -10.857 0.275 11.628 1.00 0.00 C ATOM 257 O ASP A 17 -12.074 0.457 11.600 1.00 0.00 O ATOM 258 CB ASP A 17 -10.106 -1.960 12.495 1.00 0.00 C ATOM 259 CG ASP A 17 -11.198 -3.014 12.539 1.00 0.00 C ATOM 260 OD1 ASP A 17 -12.278 -2.753 13.103 1.00 0.00 O ATOM 261 OD2 ASP A 17 -10.957 -4.111 11.978 1.00 0.00 O ATOM 0 H ASP A 17 -8.166 -1.225 11.228 1.00 0.00 H new ATOM 0 HA ASP A 17 -10.920 -1.557 10.526 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -9.128 -2.442 12.494 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.155 -1.340 13.390 1.00 0.00 H new ATOM 266 N GLU A 18 -9.995 1.247 11.936 1.00 0.00 N ATOM 267 CA GLU A 18 -10.350 2.650 12.120 1.00 0.00 C ATOM 268 C GLU A 18 -10.947 3.166 10.813 1.00 0.00 C ATOM 269 O GLU A 18 -12.124 3.525 10.771 1.00 0.00 O ATOM 270 CB GLU A 18 -9.121 3.459 12.538 1.00 0.00 C ATOM 271 CG GLU A 18 -8.695 3.102 13.962 1.00 0.00 C ATOM 272 CD GLU A 18 -9.249 4.060 15.009 1.00 0.00 C ATOM 273 OE1 GLU A 18 -10.351 3.781 15.532 1.00 0.00 O ATOM 274 OE2 GLU A 18 -8.537 5.042 15.326 1.00 0.00 O ATOM 0 H GLU A 18 -8.999 1.070 12.068 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.087 2.757 12.916 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.300 3.264 11.848 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.343 4.524 12.476 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.028 2.090 14.192 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.607 3.100 14.020 1.00 0.00 H new ATOM 281 N CYS A 19 -10.156 3.124 9.731 1.00 0.00 N ATOM 282 CA CYS A 19 -10.574 3.548 8.399 1.00 0.00 C ATOM 283 C CYS A 19 -11.866 2.816 7.968 1.00 0.00 C ATOM 284 O CYS A 19 -12.724 3.400 7.312 1.00 0.00 O ATOM 285 CB CYS A 19 -9.441 3.260 7.396 1.00 0.00 C ATOM 286 SG CYS A 19 -7.955 4.275 7.576 1.00 0.00 S ATOM 0 H CYS A 19 -9.193 2.788 9.764 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.784 4.617 8.418 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.156 2.212 7.489 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.831 3.396 6.387 1.00 0.00 H new ATOM 291 N LYS A 20 -12.042 1.537 8.331 1.00 0.00 N ATOM 292 CA LYS A 20 -13.229 0.757 8.031 1.00 0.00 C ATOM 293 C LYS A 20 -14.462 1.373 8.668 1.00 0.00 C ATOM 294 O LYS A 20 -15.448 1.580 7.960 1.00 0.00 O ATOM 295 CB LYS A 20 -13.040 -0.682 8.520 1.00 0.00 C ATOM 296 CG LYS A 20 -12.261 -1.587 7.556 1.00 0.00 C ATOM 297 CD LYS A 20 -11.732 -2.919 8.099 1.00 0.00 C ATOM 298 CE LYS A 20 -12.790 -3.638 8.912 1.00 0.00 C ATOM 299 NZ LYS A 20 -12.221 -4.795 9.639 1.00 0.00 N ATOM 0 H LYS A 20 -11.340 1.013 8.854 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.376 0.753 6.951 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.520 -0.661 9.478 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.021 -1.123 8.699 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.906 -1.805 6.705 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.412 -1.019 7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.414 -3.552 7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.853 -2.739 8.718 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -13.238 -2.944 9.623 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.589 -3.978 8.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -12.951 -5.527 9.751 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -11.420 -5.184 9.101 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -11.891 -4.488 10.576 1.00 0.00 H new ATOM 313 N LYS A 21 -14.445 1.652 9.977 1.00 0.00 N ATOM 314 CA LYS A 21 -15.560 2.305 10.623 1.00 0.00 C ATOM 315 C LYS A 21 -15.775 3.656 9.962 1.00 0.00 C ATOM 316 O LYS A 21 -16.905 3.978 9.601 1.00 0.00 O ATOM 317 CB LYS A 21 -15.262 2.386 12.122 1.00 0.00 C ATOM 318 CG LYS A 21 -15.918 3.603 12.766 1.00 0.00 C ATOM 319 CD LYS A 21 -15.874 3.455 14.274 1.00 0.00 C ATOM 320 CE LYS A 21 -16.605 4.618 14.961 1.00 0.00 C ATOM 321 NZ LYS A 21 -15.892 5.912 14.847 1.00 0.00 N ATOM 0 H LYS A 21 -13.667 1.431 10.598 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.492 1.751 10.513 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.617 1.480 12.612 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.184 2.430 12.276 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.400 4.513 12.463 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.950 3.696 12.428 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.333 2.510 14.564 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -14.838 3.423 14.610 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -17.599 4.720 14.526 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -16.742 4.379 16.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -16.438 6.653 15.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.953 5.831 15.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -15.784 6.161 13.843 1.00 0.00 H new ATOM 335 N GLU A 22 -14.712 4.444 9.825 1.00 0.00 N ATOM 336 CA GLU A 22 -14.773 5.791 9.299 1.00 0.00 C ATOM 337 C GLU A 22 -15.532 5.824 7.980 1.00 0.00 C ATOM 338 O GLU A 22 -16.566 6.485 7.887 1.00 0.00 O ATOM 339 CB GLU A 22 -13.357 6.327 9.099 1.00 0.00 C ATOM 340 CG GLU A 22 -12.743 6.880 10.378 1.00 0.00 C ATOM 341 CD GLU A 22 -11.601 7.800 9.977 1.00 0.00 C ATOM 342 OE1 GLU A 22 -10.605 7.297 9.411 1.00 0.00 O ATOM 343 OE2 GLU A 22 -11.726 9.046 10.088 1.00 0.00 O ATOM 0 H GLU A 22 -13.769 4.152 10.083 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.304 6.420 10.014 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.723 5.528 8.714 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.375 7.112 8.343 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.489 7.425 10.957 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.379 6.070 11.010 1.00 0.00 H new ATOM 350 N MET A 23 -15.036 5.109 6.977 1.00 0.00 N ATOM 351 CA MET A 23 -15.401 5.322 5.585 1.00 0.00 C ATOM 352 C MET A 23 -16.537 4.387 5.159 1.00 0.00 C ATOM 353 O MET A 23 -16.883 4.344 3.980 1.00 0.00 O ATOM 354 CB MET A 23 -14.161 5.099 4.707 1.00 0.00 C ATOM 355 CG MET A 23 -12.922 5.925 5.087 1.00 0.00 C ATOM 356 SD MET A 23 -11.368 5.065 4.738 1.00 0.00 S ATOM 357 CE MET A 23 -11.358 5.011 2.932 1.00 0.00 C ATOM 0 H MET A 23 -14.361 4.356 7.111 1.00 0.00 H new ATOM 0 HA MET A 23 -15.760 6.344 5.464 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.897 4.042 4.744 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.424 5.326 3.674 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.940 6.869 4.542 1.00 0.00 H new ATOM 0 HG3 MET A 23 -12.966 6.169 6.148 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.999 4.037 2.599 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.369 5.173 2.558 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.700 5.790 2.548 1.00 0.00 H new ATOM 367 N THR A 24 -17.079 3.607 6.105 1.00 0.00 N ATOM 368 CA THR A 24 -17.829 2.388 5.864 1.00 0.00 C ATOM 369 C THR A 24 -17.083 1.511 4.857 1.00 0.00 C ATOM 370 O THR A 24 -17.347 1.606 3.653 1.00 0.00 O ATOM 371 CB THR A 24 -19.268 2.713 5.406 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.933 3.545 6.343 1.00 0.00 O ATOM 373 CG2 THR A 24 -20.098 1.437 5.196 1.00 0.00 C ATOM 0 H THR A 24 -16.997 3.827 7.098 1.00 0.00 H new ATOM 0 HA THR A 24 -17.915 1.826 6.794 1.00 0.00 H new ATOM 0 HB THR A 24 -19.178 3.239 4.456 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.840 3.735 6.025 1.00 0.00 H new ATOM 0 HG21 THR A 24 -21.104 1.706 4.874 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.627 0.818 4.433 1.00 0.00 H new ATOM 0 HG23 THR A 24 -20.153 0.881 6.132 1.00 0.00 H new ATOM 381 N LEU A 25 -16.168 0.649 5.317 1.00 0.00 N ATOM 382 CA LEU A 25 -15.511 -0.320 4.436 1.00 0.00 C ATOM 383 C LEU A 25 -15.876 -1.737 4.845 1.00 0.00 C ATOM 384 O LEU A 25 -16.014 -2.015 6.035 1.00 0.00 O ATOM 385 CB LEU A 25 -13.995 -0.149 4.410 1.00 0.00 C ATOM 386 CG LEU A 25 -13.488 1.280 4.180 1.00 0.00 C ATOM 387 CD1 LEU A 25 -11.959 1.272 4.188 1.00 0.00 C ATOM 388 CD2 LEU A 25 -13.981 1.872 2.851 1.00 0.00 C ATOM 0 H LEU A 25 -15.868 0.604 6.291 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.872 -0.131 3.425 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.591 -0.510 5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.590 -0.789 3.626 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.882 1.904 4.983 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.589 2.284 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.602 0.906 5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.594 0.620 3.394 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.594 2.884 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.629 1.254 2.025 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -15.071 1.898 2.846 1.00 0.00 H new ATOM 400 N THR A 26 -16.030 -2.626 3.871 1.00 0.00 N ATOM 401 CA THR A 26 -16.515 -3.989 4.061 1.00 0.00 C ATOM 402 C THR A 26 -15.451 -4.918 4.645 1.00 0.00 C ATOM 403 O THR A 26 -14.386 -4.508 5.104 1.00 0.00 O ATOM 404 CB THR A 26 -17.060 -4.500 2.720 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.036 -4.570 1.748 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.194 -3.642 2.183 1.00 0.00 C ATOM 0 H THR A 26 -15.814 -2.412 2.897 1.00 0.00 H new ATOM 0 HA THR A 26 -17.316 -3.981 4.800 1.00 0.00 H new ATOM 0 HB THR A 26 -17.452 -5.498 2.917 1.00 0.00 H new ATOM 0 HG1 THR A 26 -16.431 -4.744 0.868 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.540 -4.050 1.233 1.00 0.00 H new ATOM 0 HG22 THR A 26 -19.017 -3.638 2.898 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.839 -2.623 2.032 1.00 0.00 H new ATOM 414 N ASP A 27 -15.761 -6.213 4.678 1.00 0.00 N ATOM 415 CA ASP A 27 -14.789 -7.264 4.939 1.00 0.00 C ATOM 416 C ASP A 27 -14.129 -7.758 3.657 1.00 0.00 C ATOM 417 O ASP A 27 -13.141 -8.476 3.727 1.00 0.00 O ATOM 418 CB ASP A 27 -15.488 -8.435 5.640 1.00 0.00 C ATOM 419 CG ASP A 27 -14.854 -8.644 7.003 1.00 0.00 C ATOM 420 OD1 ASP A 27 -15.354 -7.989 7.945 1.00 0.00 O ATOM 421 OD2 ASP A 27 -13.810 -9.318 7.108 1.00 0.00 O ATOM 0 H ASP A 27 -16.707 -6.562 4.522 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.007 -6.850 5.576 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -16.553 -8.228 5.748 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -15.398 -9.341 5.040 1.00 0.00 H new ATOM 426 N ALA A 28 -14.621 -7.362 2.481 1.00 0.00 N ATOM 427 CA ALA A 28 -14.009 -7.758 1.218 1.00 0.00 C ATOM 428 C ALA A 28 -12.605 -7.176 1.076 1.00 0.00 C ATOM 429 O ALA A 28 -11.770 -7.727 0.364 1.00 0.00 O ATOM 430 CB ALA A 28 -14.885 -7.279 0.070 1.00 0.00 C ATOM 0 H ALA A 28 -15.443 -6.766 2.381 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.924 -8.844 1.197 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.434 -7.571 -0.878 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -15.874 -7.729 0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -14.975 -6.193 0.110 1.00 0.00 H new ATOM 436 N ILE A 29 -12.326 -6.069 1.760 1.00 0.00 N ATOM 437 CA ILE A 29 -10.982 -5.532 1.838 1.00 0.00 C ATOM 438 C ILE A 29 -10.124 -6.420 2.747 1.00 0.00 C ATOM 439 O ILE A 29 -8.957 -6.640 2.453 1.00 0.00 O ATOM 440 CB ILE A 29 -11.026 -4.051 2.267 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.104 -3.902 3.800 1.00 0.00 C ATOM 442 CG2 ILE A 29 -12.170 -3.292 1.553 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.509 -2.518 4.277 1.00 0.00 C ATOM 0 H ILE A 29 -13.024 -5.527 2.270 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.506 -5.545 0.857 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.089 -3.592 1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.817 -4.629 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.132 -4.150 4.227 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -12.174 -2.251 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -12.018 -3.336 0.475 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.125 -3.754 1.804 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.539 -2.503 5.366 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.784 -1.785 3.923 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.495 -2.272 3.884 1.00 0.00 H new ATOM 455 N ASN A 30 -10.695 -6.975 3.823 1.00 0.00 N ATOM 456 CA ASN A 30 -9.996 -7.839 4.746 1.00 0.00 C ATOM 457 C ASN A 30 -9.702 -9.182 4.092 1.00 0.00 C ATOM 458 O ASN A 30 -8.892 -9.929 4.631 1.00 0.00 O ATOM 459 CB ASN A 30 -10.818 -8.104 6.006 1.00 0.00 C ATOM 460 CG ASN A 30 -11.255 -6.865 6.752 1.00 0.00 C ATOM 461 OD1 ASN A 30 -10.657 -5.804 6.675 1.00 0.00 O ATOM 462 ND2 ASN A 30 -12.345 -6.956 7.480 1.00 0.00 N ATOM 0 H ASN A 30 -11.673 -6.826 4.070 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.072 -7.329 5.018 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.704 -8.676 5.731 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -10.232 -8.729 6.680 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.693 -6.139 7.982 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.843 -7.844 7.543 1.00 0.00 H new ATOM 469 N GLU A 31 -10.372 -9.525 2.985 1.00 0.00 N ATOM 470 CA GLU A 31 -10.092 -10.708 2.209 1.00 0.00 C ATOM 471 C GLU A 31 -8.832 -10.415 1.403 1.00 0.00 C ATOM 472 O GLU A 31 -7.894 -11.193 1.505 1.00 0.00 O ATOM 473 CB GLU A 31 -11.296 -11.021 1.309 1.00 0.00 C ATOM 474 CG GLU A 31 -10.992 -12.037 0.232 1.00 0.00 C ATOM 475 CD GLU A 31 -12.232 -12.721 -0.344 1.00 0.00 C ATOM 476 OE1 GLU A 31 -13.380 -12.247 -0.165 1.00 0.00 O ATOM 477 OE2 GLU A 31 -12.057 -13.812 -0.929 1.00 0.00 O ATOM 0 H GLU A 31 -11.138 -8.966 2.608 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.928 -11.585 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -12.115 -11.390 1.926 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.640 -10.099 0.841 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.453 -11.544 -0.577 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.327 -12.798 0.641 1.00 0.00 H new ATOM 484 N ASP A 32 -8.794 -9.293 0.670 1.00 0.00 N ATOM 485 CA ASP A 32 -7.644 -8.864 -0.132 1.00 0.00 C ATOM 486 C ASP A 32 -6.434 -8.800 0.781 1.00 0.00 C ATOM 487 O ASP A 32 -5.514 -9.579 0.627 1.00 0.00 O ATOM 488 CB ASP A 32 -7.935 -7.504 -0.782 1.00 0.00 C ATOM 489 CG ASP A 32 -6.721 -6.878 -1.477 1.00 0.00 C ATOM 490 OD1 ASP A 32 -5.896 -7.639 -2.017 1.00 0.00 O ATOM 491 OD2 ASP A 32 -6.681 -5.627 -1.542 1.00 0.00 O ATOM 0 H ASP A 32 -9.581 -8.646 0.619 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.448 -9.571 -0.938 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -8.737 -7.624 -1.510 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.299 -6.817 -0.018 1.00 0.00 H new ATOM 496 N PHE A 33 -6.467 -7.990 1.836 1.00 0.00 N ATOM 497 CA PHE A 33 -5.342 -7.875 2.754 1.00 0.00 C ATOM 498 C PHE A 33 -4.942 -9.204 3.409 1.00 0.00 C ATOM 499 O PHE A 33 -3.757 -9.395 3.704 1.00 0.00 O ATOM 500 CB PHE A 33 -5.700 -6.835 3.818 1.00 0.00 C ATOM 501 CG PHE A 33 -5.901 -5.431 3.275 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.963 -4.864 2.391 1.00 0.00 C ATOM 503 CD2 PHE A 33 -7.057 -4.707 3.617 1.00 0.00 C ATOM 504 CE1 PHE A 33 -5.204 -3.604 1.820 1.00 0.00 C ATOM 505 CE2 PHE A 33 -7.295 -3.443 3.051 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.376 -2.901 2.140 1.00 0.00 C ATOM 0 H PHE A 33 -7.265 -7.402 2.075 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.470 -7.565 2.179 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.612 -7.150 4.325 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.909 -6.812 4.568 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.056 -5.399 2.152 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.765 -5.124 4.318 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.488 -3.176 1.135 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.184 -2.890 3.317 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.571 -1.941 1.684 1.00 0.00 H new ATOM 516 N TYR A 34 -5.876 -10.130 3.633 1.00 0.00 N ATOM 517 CA TYR A 34 -5.560 -11.467 4.119 1.00 0.00 C ATOM 518 C TYR A 34 -4.838 -12.291 3.049 1.00 0.00 C ATOM 519 O TYR A 34 -3.898 -13.020 3.370 1.00 0.00 O ATOM 520 CB TYR A 34 -6.859 -12.145 4.569 1.00 0.00 C ATOM 521 CG TYR A 34 -6.792 -13.623 4.883 1.00 0.00 C ATOM 522 CD1 TYR A 34 -5.894 -14.110 5.848 1.00 0.00 C ATOM 523 CD2 TYR A 34 -7.686 -14.501 4.244 1.00 0.00 C ATOM 524 CE1 TYR A 34 -5.889 -15.477 6.174 1.00 0.00 C ATOM 525 CE2 TYR A 34 -7.705 -15.866 4.581 1.00 0.00 C ATOM 526 CZ TYR A 34 -6.805 -16.357 5.555 1.00 0.00 C ATOM 527 OH TYR A 34 -6.813 -17.667 5.926 1.00 0.00 O ATOM 0 H TYR A 34 -6.872 -9.970 3.481 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.879 -11.395 4.967 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.221 -11.627 5.457 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.605 -11.999 3.788 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.209 -13.435 6.338 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -8.362 -14.125 3.490 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -5.184 -15.856 6.899 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -8.402 -16.535 4.099 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.497 -18.148 5.415 1.00 0.00 H new ATOM 537 N ASN A 35 -5.278 -12.214 1.796 1.00 0.00 N ATOM 538 CA ASN A 35 -4.882 -13.104 0.707 1.00 0.00 C ATOM 539 C ASN A 35 -3.914 -12.467 -0.289 1.00 0.00 C ATOM 540 O ASN A 35 -3.500 -13.147 -1.214 1.00 0.00 O ATOM 541 CB ASN A 35 -6.132 -13.660 0.007 1.00 0.00 C ATOM 542 CG ASN A 35 -6.886 -12.656 -0.840 1.00 0.00 C ATOM 543 OD1 ASN A 35 -6.336 -11.748 -1.439 1.00 0.00 O ATOM 544 ND2 ASN A 35 -8.189 -12.821 -0.918 1.00 0.00 N ATOM 0 H ASN A 35 -5.946 -11.503 1.499 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.324 -13.926 1.155 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -5.835 -14.497 -0.625 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.809 -14.057 0.764 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.751 -12.185 -1.484 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.638 -13.585 -0.412 1.00 0.00 H new ATOM 551 N PHE A 36 -3.520 -11.212 -0.090 1.00 0.00 N ATOM 552 CA PHE A 36 -2.784 -10.318 -0.982 1.00 0.00 C ATOM 553 C PHE A 36 -1.589 -11.026 -1.633 1.00 0.00 C ATOM 554 O PHE A 36 -1.388 -10.947 -2.846 1.00 0.00 O ATOM 555 CB PHE A 36 -2.421 -9.105 -0.098 1.00 0.00 C ATOM 556 CG PHE A 36 -1.572 -7.975 -0.637 1.00 0.00 C ATOM 557 CD1 PHE A 36 -2.139 -6.987 -1.474 1.00 0.00 C ATOM 558 CD2 PHE A 36 -0.271 -7.804 -0.125 1.00 0.00 C ATOM 559 CE1 PHE A 36 -1.394 -5.835 -1.803 1.00 0.00 C ATOM 560 CE2 PHE A 36 0.442 -6.629 -0.413 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.125 -5.655 -1.238 1.00 0.00 C ATOM 0 H PHE A 36 -3.730 -10.747 0.793 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.365 -9.991 -1.844 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.359 -8.666 0.242 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.913 -9.494 0.784 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.140 -7.114 -1.860 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.176 -8.574 0.487 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.798 -5.100 -2.483 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.427 -6.479 0.003 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.424 -4.748 -1.444 1.00 0.00 H new ATOM 571 N TRP A 37 -0.844 -11.814 -0.853 1.00 0.00 N ATOM 572 CA TRP A 37 0.240 -12.666 -1.331 1.00 0.00 C ATOM 573 C TRP A 37 -0.229 -14.079 -1.720 1.00 0.00 C ATOM 574 O TRP A 37 0.407 -15.063 -1.329 1.00 0.00 O ATOM 575 CB TRP A 37 1.362 -12.694 -0.284 1.00 0.00 C ATOM 576 CG TRP A 37 1.957 -11.377 0.097 1.00 0.00 C ATOM 577 CD1 TRP A 37 2.242 -11.004 1.364 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.375 -10.268 -0.760 1.00 0.00 C ATOM 579 NE1 TRP A 37 2.828 -9.759 1.358 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.936 -9.260 0.079 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.342 -9.993 -2.148 1.00 0.00 C ATOM 582 CZ2 TRP A 37 3.428 -8.056 -0.431 1.00 0.00 C ATOM 583 CZ3 TRP A 37 2.836 -8.789 -2.670 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.384 -7.829 -1.813 1.00 0.00 C ATOM 0 H TRP A 37 -0.985 -11.876 0.155 1.00 0.00 H new ATOM 0 HA TRP A 37 0.626 -12.236 -2.255 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.974 -13.166 0.619 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.162 -13.333 -0.659 1.00 0.00 H new ATOM 0 HD1 TRP A 37 2.041 -11.593 2.247 1.00 0.00 H new ATOM 0 HE1 TRP A 37 3.143 -9.268 2.195 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.926 -10.728 -2.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.838 -7.309 0.232 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 2.793 -8.603 -3.733 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.775 -6.908 -2.219 1.00 0.00 H new ATOM 595 N LYS A 38 -1.336 -14.223 -2.456 1.00 0.00 N ATOM 596 CA LYS A 38 -1.725 -15.447 -3.112 1.00 0.00 C ATOM 597 C LYS A 38 -0.971 -15.554 -4.418 1.00 0.00 C ATOM 598 O LYS A 38 -0.377 -14.579 -4.878 1.00 0.00 O ATOM 599 CB LYS A 38 -3.248 -15.419 -3.376 1.00 0.00 C ATOM 600 CG LYS A 38 -3.879 -16.342 -2.344 1.00 0.00 C ATOM 601 CD LYS A 38 -5.371 -16.628 -2.492 1.00 0.00 C ATOM 602 CE LYS A 38 -5.714 -17.415 -1.222 1.00 0.00 C ATOM 603 NZ LYS A 38 -7.153 -17.632 -1.019 1.00 0.00 N ATOM 0 H LYS A 38 -1.996 -13.461 -2.608 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.491 -16.308 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.640 -14.406 -3.283 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.473 -15.756 -4.388 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -3.347 -17.293 -2.370 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.713 -15.911 -1.357 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.951 -15.708 -2.562 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -5.581 -17.207 -3.391 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.214 -18.383 -1.261 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.313 -16.884 -0.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -7.303 -18.170 -0.142 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.636 -16.714 -0.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -7.540 -18.166 -1.823 1.00 0.00 H new ATOM 617 N GLU A 39 -1.113 -16.708 -5.054 1.00 0.00 N ATOM 618 CA GLU A 39 -0.818 -16.998 -6.432 1.00 0.00 C ATOM 619 C GLU A 39 -1.440 -15.974 -7.380 1.00 0.00 C ATOM 620 O GLU A 39 -2.521 -16.198 -7.922 1.00 0.00 O ATOM 621 CB GLU A 39 -1.347 -18.416 -6.671 1.00 0.00 C ATOM 622 CG GLU A 39 -0.822 -19.010 -7.971 1.00 0.00 C ATOM 623 CD GLU A 39 -1.950 -19.693 -8.752 1.00 0.00 C ATOM 624 OE1 GLU A 39 -2.421 -20.754 -8.290 1.00 0.00 O ATOM 625 OE2 GLU A 39 -2.379 -19.164 -9.810 1.00 0.00 O ATOM 0 H GLU A 39 -1.469 -17.531 -4.568 1.00 0.00 H new ATOM 0 HA GLU A 39 0.251 -16.938 -6.634 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -1.058 -19.056 -5.837 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -2.437 -18.397 -6.695 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.375 -18.225 -8.581 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.035 -19.732 -7.754 1.00 0.00 H new ATOM 632 N GLY A 40 -0.765 -14.844 -7.589 1.00 0.00 N ATOM 633 CA GLY A 40 -1.148 -13.823 -8.550 1.00 0.00 C ATOM 634 C GLY A 40 -2.618 -13.394 -8.488 1.00 0.00 C ATOM 635 O GLY A 40 -3.140 -13.003 -9.535 1.00 0.00 O ATOM 0 H GLY A 40 0.086 -14.612 -7.078 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -0.522 -12.945 -8.393 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -0.935 -14.191 -9.553 1.00 0.00 H new ATOM 639 N TYR A 41 -3.283 -13.453 -7.321 1.00 0.00 N ATOM 640 CA TYR A 41 -4.629 -12.927 -7.107 1.00 0.00 C ATOM 641 C TYR A 41 -4.690 -11.517 -7.663 1.00 0.00 C ATOM 642 O TYR A 41 -3.696 -10.778 -7.644 1.00 0.00 O ATOM 643 CB TYR A 41 -4.956 -12.945 -5.605 1.00 0.00 C ATOM 644 CG TYR A 41 -6.194 -12.197 -5.107 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.200 -10.783 -4.999 1.00 0.00 C ATOM 646 CD2 TYR A 41 -7.251 -12.941 -4.536 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.179 -10.164 -4.197 1.00 0.00 C ATOM 648 CE2 TYR A 41 -8.277 -12.303 -3.811 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.212 -10.913 -3.603 1.00 0.00 C ATOM 650 OH TYR A 41 -9.095 -10.306 -2.763 1.00 0.00 O ATOM 0 H TYR A 41 -2.884 -13.879 -6.485 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.368 -13.543 -7.620 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.057 -13.987 -5.303 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.093 -12.542 -5.075 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -5.465 -10.190 -5.523 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.273 -14.014 -4.657 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.136 -9.097 -4.035 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.105 -12.875 -3.419 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.841 -10.914 -2.578 1.00 0.00 H new ATOM 660 N GLU A 42 -5.856 -11.141 -8.172 1.00 0.00 N ATOM 661 CA GLU A 42 -6.090 -9.845 -8.724 1.00 0.00 C ATOM 662 C GLU A 42 -7.164 -9.142 -7.934 1.00 0.00 C ATOM 663 O GLU A 42 -8.237 -9.682 -7.657 1.00 0.00 O ATOM 664 CB GLU A 42 -6.478 -10.060 -10.190 1.00 0.00 C ATOM 665 CG GLU A 42 -6.641 -8.755 -10.948 1.00 0.00 C ATOM 666 CD GLU A 42 -6.970 -8.975 -12.434 1.00 0.00 C ATOM 667 OE1 GLU A 42 -7.783 -9.885 -12.717 1.00 0.00 O ATOM 668 OE2 GLU A 42 -6.475 -8.217 -13.298 1.00 0.00 O ATOM 0 H GLU A 42 -6.672 -11.753 -8.206 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.209 -9.206 -8.673 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.716 -10.667 -10.679 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.411 -10.622 -10.236 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.434 -8.167 -10.487 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.723 -8.173 -10.865 1.00 0.00 H new ATOM 675 N ILE A 43 -6.859 -7.895 -7.628 1.00 0.00 N ATOM 676 CA ILE A 43 -7.512 -7.094 -6.629 1.00 0.00 C ATOM 677 C ILE A 43 -8.504 -6.257 -7.416 1.00 0.00 C ATOM 678 O ILE A 43 -8.112 -5.599 -8.383 1.00 0.00 O ATOM 679 CB ILE A 43 -6.445 -6.231 -5.924 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.292 -7.045 -5.294 1.00 0.00 C ATOM 681 CG2 ILE A 43 -7.159 -5.322 -4.912 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.154 -6.182 -4.735 1.00 0.00 C ATOM 0 H ILE A 43 -6.107 -7.393 -8.100 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.019 -7.664 -5.850 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.940 -5.622 -6.674 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -5.694 -7.664 -4.491 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -4.886 -7.722 -6.045 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -6.425 -4.701 -4.399 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.872 -4.684 -5.435 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.688 -5.935 -4.182 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.384 -6.826 -4.310 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.724 -5.583 -5.537 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.544 -5.523 -3.959 1.00 0.00 H new ATOM 694 N LYS A 44 -9.786 -6.311 -7.054 1.00 0.00 N ATOM 695 CA LYS A 44 -10.829 -5.663 -7.843 1.00 0.00 C ATOM 696 C LYS A 44 -11.644 -4.690 -7.006 1.00 0.00 C ATOM 697 O LYS A 44 -12.106 -3.675 -7.527 1.00 0.00 O ATOM 698 CB LYS A 44 -11.760 -6.712 -8.482 1.00 0.00 C ATOM 699 CG LYS A 44 -11.064 -7.882 -9.167 1.00 0.00 C ATOM 700 CD LYS A 44 -10.286 -7.433 -10.404 1.00 0.00 C ATOM 701 CE LYS A 44 -10.236 -8.564 -11.424 1.00 0.00 C ATOM 702 NZ LYS A 44 -9.795 -9.858 -10.866 1.00 0.00 N ATOM 0 H LYS A 44 -10.124 -6.795 -6.222 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.333 -5.098 -8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.418 -7.107 -7.708 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.394 -6.211 -9.214 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.384 -8.363 -8.464 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -11.805 -8.628 -9.454 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.760 -6.556 -10.844 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.274 -7.141 -10.122 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.226 -8.688 -11.862 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -9.562 -8.280 -12.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.076 -10.278 -11.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.389 -9.708 -9.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.609 -10.501 -10.795 1.00 0.00 H new ATOM 716 N ASN A 45 -11.816 -4.981 -5.716 1.00 0.00 N ATOM 717 CA ASN A 45 -12.577 -4.162 -4.788 1.00 0.00 C ATOM 718 C ASN A 45 -11.998 -2.751 -4.732 1.00 0.00 C ATOM 719 O ASN A 45 -10.943 -2.529 -4.140 1.00 0.00 O ATOM 720 CB ASN A 45 -12.600 -4.830 -3.403 1.00 0.00 C ATOM 721 CG ASN A 45 -13.799 -5.745 -3.249 1.00 0.00 C ATOM 722 OD1 ASN A 45 -13.850 -6.846 -3.785 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.794 -5.315 -2.499 1.00 0.00 N ATOM 0 H ASN A 45 -11.418 -5.814 -5.283 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.607 -4.077 -5.134 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.683 -5.402 -3.258 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.624 -4.064 -2.628 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.618 -5.900 -2.360 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -14.740 -4.397 -2.058 1.00 0.00 H new ATOM 730 N ARG A 46 -12.719 -1.757 -5.263 1.00 0.00 N ATOM 731 CA ARG A 46 -12.349 -0.347 -5.165 1.00 0.00 C ATOM 732 C ARG A 46 -12.139 0.068 -3.709 1.00 0.00 C ATOM 733 O ARG A 46 -11.365 0.987 -3.433 1.00 0.00 O ATOM 734 CB ARG A 46 -13.446 0.464 -5.895 1.00 0.00 C ATOM 735 CG ARG A 46 -13.584 1.937 -5.487 1.00 0.00 C ATOM 736 CD ARG A 46 -14.817 2.599 -6.129 1.00 0.00 C ATOM 737 NE ARG A 46 -14.994 4.014 -5.741 1.00 0.00 N ATOM 738 CZ ARG A 46 -15.591 4.462 -4.625 1.00 0.00 C ATOM 739 NH1 ARG A 46 -15.940 3.625 -3.651 1.00 0.00 N ATOM 740 NH2 ARG A 46 -15.838 5.757 -4.493 1.00 0.00 N ATOM 0 H ARG A 46 -13.585 -1.915 -5.778 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.391 -0.150 -5.646 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.247 0.422 -6.966 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.404 -0.029 -5.729 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.658 2.007 -4.402 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.686 2.481 -5.781 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.730 2.536 -7.214 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.709 2.039 -5.847 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.628 4.717 -6.382 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.755 2.626 -3.746 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.393 3.982 -2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -15.575 6.405 -5.236 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -16.291 6.106 -3.649 1.00 0.00 H new ATOM 754 N GLU A 47 -12.822 -0.594 -2.776 1.00 0.00 N ATOM 755 CA GLU A 47 -12.686 -0.292 -1.363 1.00 0.00 C ATOM 756 C GLU A 47 -11.280 -0.581 -0.839 1.00 0.00 C ATOM 757 O GLU A 47 -10.849 0.141 0.057 1.00 0.00 O ATOM 758 CB GLU A 47 -13.739 -1.038 -0.535 1.00 0.00 C ATOM 759 CG GLU A 47 -15.161 -0.623 -0.930 1.00 0.00 C ATOM 760 CD GLU A 47 -16.059 -0.347 0.276 1.00 0.00 C ATOM 761 OE1 GLU A 47 -16.103 -1.164 1.222 1.00 0.00 O ATOM 762 OE2 GLU A 47 -16.722 0.715 0.252 1.00 0.00 O ATOM 0 H GLU A 47 -13.478 -1.347 -2.982 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.855 0.779 -1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.620 -2.112 -0.676 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.581 -0.836 0.524 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.113 0.270 -1.553 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.608 -1.411 -1.536 1.00 0.00 H new ATOM 769 N THR A 48 -10.551 -1.576 -1.367 1.00 0.00 N ATOM 770 CA THR A 48 -9.222 -1.879 -0.836 1.00 0.00 C ATOM 771 C THR A 48 -8.271 -0.739 -1.223 1.00 0.00 C ATOM 772 O THR A 48 -7.555 -0.210 -0.375 1.00 0.00 O ATOM 773 CB THR A 48 -8.719 -3.308 -1.159 1.00 0.00 C ATOM 774 OG1 THR A 48 -7.767 -3.368 -2.191 1.00 0.00 O ATOM 775 CG2 THR A 48 -9.822 -4.308 -1.528 1.00 0.00 C ATOM 0 H THR A 48 -10.852 -2.168 -2.141 1.00 0.00 H new ATOM 0 HA THR A 48 -9.270 -1.916 0.252 1.00 0.00 H new ATOM 0 HB THR A 48 -8.265 -3.590 -0.209 1.00 0.00 H new ATOM 0 HG1 THR A 48 -7.240 -4.189 -2.102 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.376 -5.280 -1.738 1.00 0.00 H new ATOM 0 HG22 THR A 48 -10.522 -4.401 -0.697 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.353 -3.954 -2.412 1.00 0.00 H new ATOM 783 N GLY A 49 -8.387 -0.247 -2.461 1.00 0.00 N ATOM 784 CA GLY A 49 -7.704 0.945 -2.948 1.00 0.00 C ATOM 785 C GLY A 49 -7.929 2.141 -2.022 1.00 0.00 C ATOM 786 O GLY A 49 -6.979 2.797 -1.592 1.00 0.00 O ATOM 0 H GLY A 49 -8.977 -0.684 -3.169 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.636 0.744 -3.031 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.062 1.187 -3.949 1.00 0.00 H new ATOM 790 N CYS A 50 -9.191 2.425 -1.686 1.00 0.00 N ATOM 791 CA CYS A 50 -9.500 3.490 -0.738 1.00 0.00 C ATOM 792 C CYS A 50 -8.934 3.230 0.660 1.00 0.00 C ATOM 793 O CYS A 50 -8.506 4.170 1.326 1.00 0.00 O ATOM 794 CB CYS A 50 -11.009 3.727 -0.659 1.00 0.00 C ATOM 795 SG CYS A 50 -11.424 5.405 -1.174 1.00 0.00 S ATOM 0 H CYS A 50 -10.006 1.935 -2.055 1.00 0.00 H new ATOM 0 HA CYS A 50 -9.012 4.388 -1.118 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.528 3.009 -1.294 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.355 3.559 0.361 1.00 0.00 H new ATOM 800 N ALA A 51 -8.949 1.984 1.135 1.00 0.00 N ATOM 801 CA ALA A 51 -8.403 1.640 2.438 1.00 0.00 C ATOM 802 C ALA A 51 -6.907 1.957 2.478 1.00 0.00 C ATOM 803 O ALA A 51 -6.442 2.584 3.424 1.00 0.00 O ATOM 804 CB ALA A 51 -8.655 0.163 2.740 1.00 0.00 C ATOM 0 H ALA A 51 -9.340 1.191 0.626 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.901 2.235 3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.242 -0.084 3.718 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.728 -0.031 2.740 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.175 -0.451 1.978 1.00 0.00 H new ATOM 810 N ILE A 52 -6.162 1.571 1.440 1.00 0.00 N ATOM 811 CA ILE A 52 -4.734 1.836 1.281 1.00 0.00 C ATOM 812 C ILE A 52 -4.483 3.350 1.334 1.00 0.00 C ATOM 813 O ILE A 52 -3.542 3.791 1.996 1.00 0.00 O ATOM 814 CB ILE A 52 -4.254 1.163 -0.030 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.314 -0.374 0.122 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.834 1.547 -0.469 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.250 -1.115 -1.213 1.00 0.00 C ATOM 0 H ILE A 52 -6.554 1.045 0.658 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.150 1.407 2.095 1.00 0.00 H new ATOM 0 HB ILE A 52 -4.931 1.527 -0.803 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.488 -0.703 0.752 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.235 -0.646 0.637 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.586 1.028 -1.395 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.782 2.624 -0.632 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.124 1.263 0.308 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.297 -2.189 -1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.091 -0.814 -1.837 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.316 -0.871 -1.720 1.00 0.00 H new ATOM 829 N MET A 53 -5.326 4.161 0.689 1.00 0.00 N ATOM 830 CA MET A 53 -5.232 5.619 0.728 1.00 0.00 C ATOM 831 C MET A 53 -5.416 6.146 2.159 1.00 0.00 C ATOM 832 O MET A 53 -4.598 6.936 2.636 1.00 0.00 O ATOM 833 CB MET A 53 -6.260 6.198 -0.251 1.00 0.00 C ATOM 834 CG MET A 53 -6.192 7.723 -0.366 1.00 0.00 C ATOM 835 SD MET A 53 -7.576 8.609 0.406 1.00 0.00 S ATOM 836 CE MET A 53 -8.935 8.016 -0.633 1.00 0.00 C ATOM 0 H MET A 53 -6.100 3.818 0.120 1.00 0.00 H new ATOM 0 HA MET A 53 -4.238 5.941 0.418 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.102 5.759 -1.236 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.261 5.909 0.070 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.262 8.066 0.087 1.00 0.00 H new ATOM 0 HG3 MET A 53 -6.151 7.992 -1.421 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.446 8.867 -1.084 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.538 7.373 -1.418 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.640 7.451 -0.023 1.00 0.00 H new ATOM 846 N CYS A 54 -6.443 5.674 2.874 1.00 0.00 N ATOM 847 CA CYS A 54 -6.658 6.059 4.267 1.00 0.00 C ATOM 848 C CYS A 54 -5.463 5.655 5.128 1.00 0.00 C ATOM 849 O CYS A 54 -4.943 6.480 5.875 1.00 0.00 O ATOM 850 CB CYS A 54 -7.963 5.460 4.806 1.00 0.00 C ATOM 851 SG CYS A 54 -8.380 5.951 6.502 1.00 0.00 S ATOM 0 H CYS A 54 -7.138 5.024 2.507 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.751 7.144 4.312 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.780 5.752 4.147 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.892 4.373 4.764 1.00 0.00 H new ATOM 856 N LEU A 55 -4.997 4.408 5.019 1.00 0.00 N ATOM 857 CA LEU A 55 -3.842 3.906 5.754 1.00 0.00 C ATOM 858 C LEU A 55 -2.636 4.807 5.500 1.00 0.00 C ATOM 859 O LEU A 55 -1.999 5.253 6.449 1.00 0.00 O ATOM 860 CB LEU A 55 -3.543 2.449 5.360 1.00 0.00 C ATOM 861 CG LEU A 55 -4.546 1.433 5.937 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.236 0.030 5.411 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.516 1.429 7.466 1.00 0.00 C ATOM 0 H LEU A 55 -5.421 3.711 4.407 1.00 0.00 H new ATOM 0 HA LEU A 55 -4.063 3.920 6.821 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.543 2.369 4.273 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.540 2.189 5.699 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.544 1.730 5.616 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.951 -0.680 5.826 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -4.308 0.025 4.323 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -3.227 -0.256 5.709 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.235 0.701 7.842 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.517 1.162 7.810 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.775 2.420 7.838 1.00 0.00 H new ATOM 875 N SER A 56 -2.359 5.144 4.241 1.00 0.00 N ATOM 876 CA SER A 56 -1.334 6.109 3.865 1.00 0.00 C ATOM 877 C SER A 56 -1.437 7.402 4.696 1.00 0.00 C ATOM 878 O SER A 56 -0.489 7.747 5.399 1.00 0.00 O ATOM 879 CB SER A 56 -1.372 6.369 2.350 1.00 0.00 C ATOM 880 OG SER A 56 -1.262 5.158 1.620 1.00 0.00 O ATOM 0 H SER A 56 -2.851 4.745 3.442 1.00 0.00 H new ATOM 0 HA SER A 56 -0.357 5.684 4.096 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.303 6.872 2.088 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.558 7.039 2.073 1.00 0.00 H new ATOM 0 HG SER A 56 -2.131 4.706 1.604 1.00 0.00 H new ATOM 886 N THR A 57 -2.560 8.129 4.685 1.00 0.00 N ATOM 887 CA THR A 57 -2.671 9.367 5.473 1.00 0.00 C ATOM 888 C THR A 57 -2.503 9.082 6.981 1.00 0.00 C ATOM 889 O THR A 57 -1.881 9.868 7.700 1.00 0.00 O ATOM 890 CB THR A 57 -3.991 10.084 5.125 1.00 0.00 C ATOM 891 OG1 THR A 57 -3.805 11.486 5.018 1.00 0.00 O ATOM 892 CG2 THR A 57 -5.077 9.904 6.170 1.00 0.00 C ATOM 0 H THR A 57 -3.394 7.889 4.149 1.00 0.00 H new ATOM 0 HA THR A 57 -1.859 10.045 5.212 1.00 0.00 H new ATOM 0 HB THR A 57 -4.296 9.629 4.183 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.658 11.913 4.795 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.975 10.436 5.857 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.303 8.844 6.280 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.733 10.303 7.124 1.00 0.00 H new ATOM 900 N LYS A 58 -3.073 7.971 7.468 1.00 0.00 N ATOM 901 CA LYS A 58 -3.032 7.567 8.880 1.00 0.00 C ATOM 902 C LYS A 58 -1.583 7.420 9.336 1.00 0.00 C ATOM 903 O LYS A 58 -1.235 7.891 10.419 1.00 0.00 O ATOM 904 CB LYS A 58 -3.783 6.245 9.126 1.00 0.00 C ATOM 905 CG LYS A 58 -5.309 6.334 8.977 1.00 0.00 C ATOM 906 CD LYS A 58 -6.008 6.569 10.323 1.00 0.00 C ATOM 907 CE LYS A 58 -7.524 6.697 10.255 1.00 0.00 C ATOM 908 NZ LYS A 58 -7.970 7.715 9.297 1.00 0.00 N ATOM 0 H LYS A 58 -3.586 7.315 6.879 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.530 8.347 9.456 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.407 5.495 8.430 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.550 5.893 10.131 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.559 7.145 8.293 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.684 5.413 8.530 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.759 5.745 10.992 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.603 7.477 10.771 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.953 5.734 9.979 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.907 6.945 11.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.975 7.927 9.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.409 8.581 9.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.843 7.359 8.328 1.00 0.00 H new ATOM 922 N LEU A 59 -0.753 6.797 8.501 1.00 0.00 N ATOM 923 CA LEU A 59 0.664 6.525 8.729 1.00 0.00 C ATOM 924 C LEU A 59 1.515 7.759 8.452 1.00 0.00 C ATOM 925 O LEU A 59 2.690 7.786 8.821 1.00 0.00 O ATOM 926 CB LEU A 59 1.099 5.347 7.840 1.00 0.00 C ATOM 927 CG LEU A 59 0.410 4.035 8.282 1.00 0.00 C ATOM 928 CD1 LEU A 59 0.257 3.059 7.121 1.00 0.00 C ATOM 929 CD2 LEU A 59 1.202 3.344 9.397 1.00 0.00 C ATOM 0 H LEU A 59 -1.070 6.449 7.596 1.00 0.00 H new ATOM 0 HA LEU A 59 0.812 6.262 9.776 1.00 0.00 H new ATOM 0 HB2 LEU A 59 0.850 5.560 6.800 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.181 5.229 7.891 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.578 4.313 8.649 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -0.231 2.150 7.472 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -0.348 3.517 6.338 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.241 2.812 6.722 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.694 2.424 9.688 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.204 3.108 9.039 1.00 0.00 H new ATOM 0 HD23 LEU A 59 1.272 4.008 10.259 1.00 0.00 H new ATOM 941 N ASN A 60 0.923 8.777 7.825 1.00 0.00 N ATOM 942 CA ASN A 60 1.497 10.026 7.355 1.00 0.00 C ATOM 943 C ASN A 60 2.292 9.767 6.082 1.00 0.00 C ATOM 944 O ASN A 60 3.522 9.685 6.113 1.00 0.00 O ATOM 945 CB ASN A 60 2.322 10.744 8.434 1.00 0.00 C ATOM 946 CG ASN A 60 2.304 12.242 8.229 1.00 0.00 C ATOM 947 OD1 ASN A 60 1.391 12.894 8.729 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.295 12.813 7.572 1.00 0.00 N ATOM 0 H ASN A 60 -0.074 8.736 7.615 1.00 0.00 H new ATOM 0 HA ASN A 60 0.685 10.714 7.122 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.923 10.504 9.420 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.350 10.383 8.410 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.319 13.827 7.466 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.037 12.240 7.170 1.00 0.00 H new ATOM 955 N MET A 61 1.591 9.556 4.967 1.00 0.00 N ATOM 956 CA MET A 61 2.249 9.260 3.686 1.00 0.00 C ATOM 957 C MET A 61 1.710 10.127 2.567 1.00 0.00 C ATOM 958 O MET A 61 1.939 9.801 1.418 1.00 0.00 O ATOM 959 CB MET A 61 2.139 7.771 3.308 1.00 0.00 C ATOM 960 CG MET A 61 2.981 6.855 4.178 1.00 0.00 C ATOM 961 SD MET A 61 2.411 5.146 4.083 1.00 0.00 S ATOM 962 CE MET A 61 3.610 4.454 2.918 1.00 0.00 C ATOM 0 H MET A 61 0.572 9.584 4.921 1.00 0.00 H new ATOM 0 HA MET A 61 3.305 9.493 3.822 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.095 7.464 3.377 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.440 7.646 2.268 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.023 6.910 3.864 1.00 0.00 H new ATOM 0 HG3 MET A 61 2.941 7.196 5.213 1.00 0.00 H new ATOM 0 HE1 MET A 61 3.391 3.399 2.754 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.547 4.989 1.970 1.00 0.00 H new ATOM 0 HE3 MET A 61 4.615 4.557 3.326 1.00 0.00 H new ATOM 972 N LEU A 62 1.015 11.226 2.828 1.00 0.00 N ATOM 973 CA LEU A 62 0.517 12.083 1.764 1.00 0.00 C ATOM 974 C LEU A 62 1.226 13.418 1.869 1.00 0.00 C ATOM 975 O LEU A 62 1.242 14.040 2.932 1.00 0.00 O ATOM 976 CB LEU A 62 -1.011 12.159 1.811 1.00 0.00 C ATOM 977 CG LEU A 62 -1.690 10.834 1.401 1.00 0.00 C ATOM 978 CD1 LEU A 62 -3.197 11.046 1.478 1.00 0.00 C ATOM 979 CD2 LEU A 62 -1.380 10.369 -0.029 1.00 0.00 C ATOM 0 H LEU A 62 0.784 11.544 3.769 1.00 0.00 H new ATOM 0 HA LEU A 62 0.740 11.678 0.777 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.326 12.426 2.820 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.351 12.956 1.149 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.308 10.070 2.078 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.709 10.127 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.475 11.316 2.497 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.487 11.847 0.799 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.899 9.432 -0.227 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.714 11.126 -0.738 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.306 10.219 -0.138 1.00 0.00 H new ATOM 991 N ASP A 63 1.858 13.817 0.766 1.00 0.00 N ATOM 992 CA ASP A 63 2.488 15.125 0.601 1.00 0.00 C ATOM 993 C ASP A 63 1.412 16.205 0.779 1.00 0.00 C ATOM 994 O ASP A 63 0.226 15.881 0.678 1.00 0.00 O ATOM 995 CB ASP A 63 3.127 15.193 -0.801 1.00 0.00 C ATOM 996 CG ASP A 63 4.567 15.694 -0.810 1.00 0.00 C ATOM 997 OD1 ASP A 63 5.341 15.348 0.107 1.00 0.00 O ATOM 998 OD2 ASP A 63 4.929 16.438 -1.748 1.00 0.00 O ATOM 0 H ASP A 63 1.948 13.224 -0.059 1.00 0.00 H new ATOM 0 HA ASP A 63 3.271 15.286 1.342 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.097 14.200 -1.250 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.523 15.846 -1.431 1.00 0.00 H new ATOM 1003 N PRO A 64 1.752 17.491 0.948 1.00 0.00 N ATOM 1004 CA PRO A 64 0.756 18.524 1.216 1.00 0.00 C ATOM 1005 C PRO A 64 -0.186 18.746 0.025 1.00 0.00 C ATOM 1006 O PRO A 64 -1.290 19.267 0.175 1.00 0.00 O ATOM 1007 CB PRO A 64 1.547 19.785 1.566 1.00 0.00 C ATOM 1008 CG PRO A 64 2.948 19.559 1.004 1.00 0.00 C ATOM 1009 CD PRO A 64 3.085 18.049 0.825 1.00 0.00 C ATOM 0 HA PRO A 64 0.099 18.231 2.035 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.087 20.671 1.128 1.00 0.00 H new ATOM 0 HB3 PRO A 64 1.578 19.942 2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 64 3.077 20.079 0.055 1.00 0.00 H new ATOM 0 HG3 PRO A 64 3.709 19.943 1.684 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.515 17.812 -0.148 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.751 17.629 1.579 1.00 0.00 H new ATOM 1017 N GLU A 65 0.191 18.282 -1.166 1.00 0.00 N ATOM 1018 CA GLU A 65 -0.648 18.299 -2.354 1.00 0.00 C ATOM 1019 C GLU A 65 -1.532 17.052 -2.370 1.00 0.00 C ATOM 1020 O GLU A 65 -2.687 17.099 -2.792 1.00 0.00 O ATOM 1021 CB GLU A 65 0.242 18.298 -3.597 1.00 0.00 C ATOM 1022 CG GLU A 65 1.175 19.514 -3.640 1.00 0.00 C ATOM 1023 CD GLU A 65 1.609 19.751 -5.077 1.00 0.00 C ATOM 1024 OE1 GLU A 65 0.785 20.301 -5.843 1.00 0.00 O ATOM 1025 OE2 GLU A 65 2.702 19.303 -5.494 1.00 0.00 O ATOM 0 H GLU A 65 1.112 17.875 -1.331 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.274 19.191 -2.347 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.837 17.385 -3.616 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.383 18.290 -4.490 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.665 20.395 -3.250 1.00 0.00 H new ATOM 0 HG3 GLU A 65 2.046 19.344 -3.007 1.00 0.00 H new ATOM 1032 N GLY A 66 -0.966 15.950 -1.879 1.00 0.00 N ATOM 1033 CA GLY A 66 -1.443 14.589 -1.915 1.00 0.00 C ATOM 1034 C GLY A 66 -0.502 13.660 -2.693 1.00 0.00 C ATOM 1035 O GLY A 66 -0.751 12.462 -2.743 1.00 0.00 O ATOM 0 H GLY A 66 -0.068 16.007 -1.398 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -1.554 14.219 -0.896 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.432 14.566 -2.372 1.00 0.00 H new ATOM 1039 N ASN A 67 0.595 14.180 -3.259 1.00 0.00 N ATOM 1040 CA ASN A 67 1.524 13.484 -4.165 1.00 0.00 C ATOM 1041 C ASN A 67 2.429 12.428 -3.488 1.00 0.00 C ATOM 1042 O ASN A 67 3.499 12.140 -4.017 1.00 0.00 O ATOM 1043 CB ASN A 67 2.368 14.525 -4.950 1.00 0.00 C ATOM 1044 CG ASN A 67 1.577 15.277 -6.015 1.00 0.00 C ATOM 1045 OD1 ASN A 67 0.825 14.686 -6.785 1.00 0.00 O ATOM 1046 ND2 ASN A 67 1.736 16.585 -6.114 1.00 0.00 N ATOM 0 H ASN A 67 0.874 15.146 -3.090 1.00 0.00 H new ATOM 0 HA ASN A 67 0.901 12.908 -4.850 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.788 15.244 -4.247 1.00 0.00 H new ATOM 0 HB3 ASN A 67 3.207 14.016 -5.425 1.00 0.00 H new ATOM 0 HD21 ASN A 67 1.233 17.107 -6.832 1.00 0.00 H new ATOM 0 HD22 ASN A 67 2.361 17.073 -5.473 1.00 0.00 H new ATOM 1053 N LEU A 68 2.021 11.840 -2.356 1.00 0.00 N ATOM 1054 CA LEU A 68 2.760 10.904 -1.489 1.00 0.00 C ATOM 1055 C LEU A 68 3.984 11.533 -0.819 1.00 0.00 C ATOM 1056 O LEU A 68 4.837 12.113 -1.482 1.00 0.00 O ATOM 1057 CB LEU A 68 3.100 9.578 -2.197 1.00 0.00 C ATOM 1058 CG LEU A 68 3.318 8.391 -1.225 1.00 0.00 C ATOM 1059 CD1 LEU A 68 2.721 7.106 -1.788 1.00 0.00 C ATOM 1060 CD2 LEU A 68 4.753 8.138 -0.757 1.00 0.00 C ATOM 0 H LEU A 68 1.086 12.020 -1.989 1.00 0.00 H new ATOM 0 HA LEU A 68 2.072 10.658 -0.680 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.294 9.328 -2.887 1.00 0.00 H new ATOM 0 HB3 LEU A 68 4.001 9.716 -2.795 1.00 0.00 H new ATOM 0 HG LEU A 68 2.790 8.706 -0.325 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.888 6.289 -1.086 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.650 7.239 -1.942 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.197 6.870 -2.740 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.770 7.282 -0.082 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.386 7.933 -1.620 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.126 9.019 -0.235 1.00 0.00 H new ATOM 1072 N HIS A 69 4.069 11.458 0.513 1.00 0.00 N ATOM 1073 CA HIS A 69 5.198 12.037 1.231 1.00 0.00 C ATOM 1074 C HIS A 69 6.352 11.040 1.276 1.00 0.00 C ATOM 1075 O HIS A 69 6.456 10.234 2.204 1.00 0.00 O ATOM 1076 CB HIS A 69 4.843 12.571 2.626 1.00 0.00 C ATOM 1077 CG HIS A 69 5.924 13.530 3.064 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.266 13.227 3.136 1.00 0.00 N ATOM 1079 CD2 HIS A 69 5.804 14.892 3.143 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.946 14.380 3.213 1.00 0.00 C ATOM 1081 NE2 HIS A 69 7.096 15.421 3.269 1.00 0.00 N ATOM 0 H HIS A 69 3.374 11.006 1.107 1.00 0.00 H new ATOM 0 HA HIS A 69 5.511 12.919 0.672 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.877 13.075 2.604 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.757 11.748 3.336 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.883 15.455 3.114 1.00 0.00 H new ATOM 0 HE1 HIS A 69 9.023 14.461 3.228 1.00 0.00 H new ATOM 0 HE2 HIS A 69 7.343 16.404 3.381 1.00 0.00 H new ATOM 1089 N HIS A 70 7.243 11.110 0.292 1.00 0.00 N ATOM 1090 CA HIS A 70 8.322 10.148 0.099 1.00 0.00 C ATOM 1091 C HIS A 70 9.259 10.054 1.307 1.00 0.00 C ATOM 1092 O HIS A 70 9.729 8.961 1.628 1.00 0.00 O ATOM 1093 CB HIS A 70 9.104 10.511 -1.164 1.00 0.00 C ATOM 1094 CG HIS A 70 8.213 10.710 -2.360 1.00 0.00 C ATOM 1095 ND1 HIS A 70 7.886 11.926 -2.916 1.00 0.00 N ATOM 1096 CD2 HIS A 70 7.475 9.745 -2.992 1.00 0.00 C ATOM 1097 CE1 HIS A 70 6.988 11.696 -3.886 1.00 0.00 C ATOM 1098 NE2 HIS A 70 6.736 10.377 -3.991 1.00 0.00 N ATOM 0 H HIS A 70 7.235 11.852 -0.408 1.00 0.00 H new ATOM 0 HA HIS A 70 7.870 9.162 -0.013 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.674 11.423 -0.984 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.825 9.722 -1.380 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.467 8.690 -2.760 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.531 12.461 -4.497 1.00 0.00 H new ATOM 0 HE2 HIS A 70 6.123 9.927 -4.671 1.00 0.00 H new ATOM 1106 N GLY A 71 9.532 11.171 1.991 1.00 0.00 N ATOM 1107 CA GLY A 71 10.355 11.198 3.195 1.00 0.00 C ATOM 1108 C GLY A 71 9.812 10.255 4.268 1.00 0.00 C ATOM 1109 O GLY A 71 10.416 9.214 4.519 1.00 0.00 O ATOM 0 H GLY A 71 9.182 12.089 1.717 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.377 10.915 2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.393 12.214 3.588 1.00 0.00 H new ATOM 1113 N ASN A 72 8.649 10.567 4.858 1.00 0.00 N ATOM 1114 CA ASN A 72 7.958 9.689 5.810 1.00 0.00 C ATOM 1115 C ASN A 72 7.780 8.265 5.271 1.00 0.00 C ATOM 1116 O ASN A 72 7.913 7.311 6.032 1.00 0.00 O ATOM 1117 CB ASN A 72 6.588 10.244 6.218 1.00 0.00 C ATOM 1118 CG ASN A 72 6.680 11.337 7.269 1.00 0.00 C ATOM 1119 OD1 ASN A 72 7.325 12.351 7.050 1.00 0.00 O ATOM 1120 ND2 ASN A 72 6.050 11.193 8.424 1.00 0.00 N ATOM 0 H ASN A 72 8.158 11.444 4.685 1.00 0.00 H new ATOM 0 HA ASN A 72 8.603 9.652 6.688 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.084 10.638 5.335 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.972 9.430 6.601 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.104 11.928 9.129 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.511 10.347 8.609 1.00 0.00 H new ATOM 1127 N ALA A 73 7.496 8.091 3.975 1.00 0.00 N ATOM 1128 CA ALA A 73 7.343 6.768 3.379 1.00 0.00 C ATOM 1129 C ALA A 73 8.627 5.929 3.530 1.00 0.00 C ATOM 1130 O ALA A 73 8.555 4.752 3.889 1.00 0.00 O ATOM 1131 CB ALA A 73 6.909 6.916 1.920 1.00 0.00 C ATOM 0 H ALA A 73 7.367 8.860 3.318 1.00 0.00 H new ATOM 0 HA ALA A 73 6.565 6.222 3.912 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.794 5.929 1.473 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.958 7.448 1.875 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.665 7.477 1.371 1.00 0.00 H new ATOM 1137 N MET A 74 9.802 6.519 3.288 1.00 0.00 N ATOM 1138 CA MET A 74 11.096 5.884 3.501 1.00 0.00 C ATOM 1139 C MET A 74 11.363 5.682 4.992 1.00 0.00 C ATOM 1140 O MET A 74 11.881 4.638 5.390 1.00 0.00 O ATOM 1141 CB MET A 74 12.196 6.741 2.859 1.00 0.00 C ATOM 1142 CG MET A 74 13.572 6.166 3.200 1.00 0.00 C ATOM 1143 SD MET A 74 14.916 6.543 2.060 1.00 0.00 S ATOM 1144 CE MET A 74 14.340 5.567 0.648 1.00 0.00 C ATOM 0 H MET A 74 9.876 7.472 2.931 1.00 0.00 H new ATOM 0 HA MET A 74 11.092 4.900 3.032 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.062 6.769 1.778 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.123 7.768 3.216 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.855 6.526 4.189 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.479 5.082 3.269 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.124 4.876 0.339 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.451 5.004 0.933 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.097 6.233 -0.180 1.00 0.00 H new ATOM 1154 N GLU A 75 11.013 6.667 5.815 1.00 0.00 N ATOM 1155 CA GLU A 75 11.122 6.647 7.256 1.00 0.00 C ATOM 1156 C GLU A 75 10.454 5.390 7.798 1.00 0.00 C ATOM 1157 O GLU A 75 11.072 4.653 8.557 1.00 0.00 O ATOM 1158 CB GLU A 75 10.441 7.927 7.777 1.00 0.00 C ATOM 1159 CG GLU A 75 11.187 8.645 8.894 1.00 0.00 C ATOM 1160 CD GLU A 75 10.374 8.666 10.191 1.00 0.00 C ATOM 1161 OE1 GLU A 75 10.414 7.681 10.958 1.00 0.00 O ATOM 1162 OE2 GLU A 75 9.642 9.659 10.437 1.00 0.00 O ATOM 0 H GLU A 75 10.626 7.544 5.467 1.00 0.00 H new ATOM 0 HA GLU A 75 12.161 6.626 7.585 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.314 8.618 6.943 1.00 0.00 H new ATOM 0 HB3 GLU A 75 9.443 7.670 8.133 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.142 8.151 9.071 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.409 9.667 8.586 1.00 0.00 H new ATOM 1169 N PHE A 76 9.226 5.106 7.362 1.00 0.00 N ATOM 1170 CA PHE A 76 8.474 3.921 7.734 1.00 0.00 C ATOM 1171 C PHE A 76 9.227 2.641 7.353 1.00 0.00 C ATOM 1172 O PHE A 76 9.281 1.706 8.153 1.00 0.00 O ATOM 1173 CB PHE A 76 7.123 3.965 7.015 1.00 0.00 C ATOM 1174 CG PHE A 76 6.207 2.826 7.401 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.478 2.889 8.602 1.00 0.00 C ATOM 1176 CD2 PHE A 76 6.072 1.706 6.560 1.00 0.00 C ATOM 1177 CE1 PHE A 76 4.609 1.840 8.953 1.00 0.00 C ATOM 1178 CE2 PHE A 76 5.195 0.663 6.912 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.467 0.728 8.109 1.00 0.00 C ATOM 0 H PHE A 76 8.718 5.716 6.722 1.00 0.00 H new ATOM 0 HA PHE A 76 8.333 3.910 8.815 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.630 4.911 7.239 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.290 3.939 5.938 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.585 3.743 9.255 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.641 1.647 5.644 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.049 1.891 9.875 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.082 -0.190 6.259 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.799 -0.076 8.380 1.00 0.00 H new ATOM 1189 N ALA A 77 9.813 2.586 6.154 1.00 0.00 N ATOM 1190 CA ALA A 77 10.565 1.426 5.695 1.00 0.00 C ATOM 1191 C ALA A 77 11.759 1.163 6.623 1.00 0.00 C ATOM 1192 O ALA A 77 11.878 0.080 7.205 1.00 0.00 O ATOM 1193 CB ALA A 77 10.984 1.616 4.234 1.00 0.00 C ATOM 0 H ALA A 77 9.777 3.348 5.477 1.00 0.00 H new ATOM 0 HA ALA A 77 9.932 0.540 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.546 0.744 3.900 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.096 1.735 3.613 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.609 2.505 4.147 1.00 0.00 H new ATOM 1199 N LYS A 78 12.630 2.160 6.799 1.00 0.00 N ATOM 1200 CA LYS A 78 13.795 2.069 7.673 1.00 0.00 C ATOM 1201 C LYS A 78 13.393 1.859 9.139 1.00 0.00 C ATOM 1202 O LYS A 78 14.111 1.177 9.871 1.00 0.00 O ATOM 1203 CB LYS A 78 14.656 3.330 7.477 1.00 0.00 C ATOM 1204 CG LYS A 78 15.754 3.156 6.398 1.00 0.00 C ATOM 1205 CD LYS A 78 15.590 4.009 5.129 1.00 0.00 C ATOM 1206 CE LYS A 78 16.776 4.962 4.874 1.00 0.00 C ATOM 1207 NZ LYS A 78 16.897 6.043 5.877 1.00 0.00 N ATOM 0 H LYS A 78 12.542 3.062 6.332 1.00 0.00 H new ATOM 0 HA LYS A 78 14.385 1.193 7.403 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.011 4.163 7.199 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.125 3.593 8.425 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.719 3.391 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 78 15.786 2.106 6.105 1.00 0.00 H new ATOM 0 HD2 LYS A 78 15.472 3.349 4.269 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.674 4.594 5.209 1.00 0.00 H new ATOM 0 HE2 LYS A 78 17.700 4.383 4.863 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.667 5.407 3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 17.713 6.643 5.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 16.031 6.619 5.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.032 5.627 6.821 1.00 0.00 H new ATOM 1221 N LYS A 79 12.229 2.354 9.568 1.00 0.00 N ATOM 1222 CA LYS A 79 11.676 2.154 10.908 1.00 0.00 C ATOM 1223 C LYS A 79 11.479 0.676 11.209 1.00 0.00 C ATOM 1224 O LYS A 79 11.752 0.254 12.328 1.00 0.00 O ATOM 1225 CB LYS A 79 10.374 2.955 11.036 1.00 0.00 C ATOM 1226 CG LYS A 79 9.605 2.831 12.357 1.00 0.00 C ATOM 1227 CD LYS A 79 8.595 3.986 12.475 1.00 0.00 C ATOM 1228 CE LYS A 79 7.230 3.680 11.855 1.00 0.00 C ATOM 1229 NZ LYS A 79 6.318 3.016 12.813 1.00 0.00 N ATOM 0 H LYS A 79 11.627 2.923 8.972 1.00 0.00 H new ATOM 0 HA LYS A 79 12.381 2.522 11.653 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.608 4.008 10.878 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.709 2.651 10.228 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.085 1.874 12.399 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.299 2.854 13.197 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.458 4.230 13.528 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.012 4.871 11.994 1.00 0.00 H new ATOM 0 HE2 LYS A 79 6.775 4.607 11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.364 3.042 10.982 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.406 2.828 12.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.739 2.118 13.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.168 3.635 13.635 1.00 0.00 H new ATOM 1243 N HIS A 80 11.010 -0.102 10.236 1.00 0.00 N ATOM 1244 CA HIS A 80 10.854 -1.541 10.406 1.00 0.00 C ATOM 1245 C HIS A 80 12.183 -2.272 10.203 1.00 0.00 C ATOM 1246 O HIS A 80 12.324 -3.408 10.653 1.00 0.00 O ATOM 1247 CB HIS A 80 9.774 -2.056 9.452 1.00 0.00 C ATOM 1248 CG HIS A 80 8.418 -1.487 9.782 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.095 -0.154 9.866 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.294 -2.198 10.086 1.00 0.00 C ATOM 1251 CE1 HIS A 80 6.833 -0.068 10.288 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.293 -1.286 10.431 1.00 0.00 N ATOM 0 H HIS A 80 10.731 0.244 9.318 1.00 0.00 H new ATOM 0 HA HIS A 80 10.538 -1.744 11.429 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.039 -1.794 8.428 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.734 -3.144 9.502 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.710 0.629 9.645 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.195 -3.273 10.064 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.316 0.859 10.488 1.00 0.00 H new ATOM 1260 N GLY A 81 13.176 -1.631 9.581 1.00 0.00 N ATOM 1261 CA GLY A 81 14.498 -2.194 9.342 1.00 0.00 C ATOM 1262 C GLY A 81 14.690 -2.655 7.901 1.00 0.00 C ATOM 1263 O GLY A 81 15.550 -3.499 7.649 1.00 0.00 O ATOM 0 H GLY A 81 13.075 -0.682 9.222 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.255 -1.448 9.584 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.656 -3.038 10.013 1.00 0.00 H new ATOM 1267 N ALA A 82 13.893 -2.152 6.952 1.00 0.00 N ATOM 1268 CA ALA A 82 14.152 -2.400 5.543 1.00 0.00 C ATOM 1269 C ALA A 82 15.463 -1.728 5.144 1.00 0.00 C ATOM 1270 O ALA A 82 15.813 -0.673 5.676 1.00 0.00 O ATOM 1271 CB ALA A 82 12.997 -1.866 4.706 1.00 0.00 C ATOM 0 H ALA A 82 13.072 -1.576 7.139 1.00 0.00 H new ATOM 0 HA ALA A 82 14.238 -3.472 5.367 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.195 -2.054 3.651 1.00 0.00 H new ATOM 0 HB2 ALA A 82 12.074 -2.368 4.997 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.894 -0.793 4.870 1.00 0.00 H new ATOM 1277 N ASP A 83 16.172 -2.342 4.197 1.00 0.00 N ATOM 1278 CA ASP A 83 17.472 -1.851 3.756 1.00 0.00 C ATOM 1279 C ASP A 83 17.286 -0.564 2.958 1.00 0.00 C ATOM 1280 O ASP A 83 16.231 -0.332 2.373 1.00 0.00 O ATOM 1281 CB ASP A 83 18.242 -2.874 2.908 1.00 0.00 C ATOM 1282 CG ASP A 83 18.052 -4.332 3.328 1.00 0.00 C ATOM 1283 OD1 ASP A 83 17.086 -4.963 2.842 1.00 0.00 O ATOM 1284 OD2 ASP A 83 18.839 -4.881 4.130 1.00 0.00 O ATOM 0 H ASP A 83 15.862 -3.188 3.718 1.00 0.00 H new ATOM 0 HA ASP A 83 18.066 -1.666 4.651 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.934 -2.768 1.868 1.00 0.00 H new ATOM 0 HB3 ASP A 83 19.304 -2.634 2.952 1.00 0.00 H new ATOM 1289 N GLU A 84 18.331 0.249 2.867 1.00 0.00 N ATOM 1290 CA GLU A 84 18.341 1.531 2.192 1.00 0.00 C ATOM 1291 C GLU A 84 18.034 1.415 0.699 1.00 0.00 C ATOM 1292 O GLU A 84 17.173 2.134 0.189 1.00 0.00 O ATOM 1293 CB GLU A 84 19.724 2.133 2.426 1.00 0.00 C ATOM 1294 CG GLU A 84 19.654 3.648 2.397 1.00 0.00 C ATOM 1295 CD GLU A 84 21.023 4.252 2.676 1.00 0.00 C ATOM 1296 OE1 GLU A 84 21.351 4.404 3.880 1.00 0.00 O ATOM 1297 OE2 GLU A 84 21.732 4.604 1.709 1.00 0.00 O ATOM 0 H GLU A 84 19.233 0.018 3.282 1.00 0.00 H new ATOM 0 HA GLU A 84 17.554 2.169 2.595 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.115 1.799 3.387 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.415 1.780 1.661 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.294 3.982 1.424 1.00 0.00 H new ATOM 0 HG3 GLU A 84 18.937 3.999 3.140 1.00 0.00 H new ATOM 1304 N THR A 85 18.712 0.503 -0.005 1.00 0.00 N ATOM 1305 CA THR A 85 18.442 0.247 -1.417 1.00 0.00 C ATOM 1306 C THR A 85 16.982 -0.175 -1.586 1.00 0.00 C ATOM 1307 O THR A 85 16.299 0.307 -2.487 1.00 0.00 O ATOM 1308 CB THR A 85 19.390 -0.841 -1.944 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.737 -0.441 -1.797 1.00 0.00 O ATOM 1310 CG2 THR A 85 19.152 -1.125 -3.426 1.00 0.00 C ATOM 0 H THR A 85 19.457 -0.073 0.387 1.00 0.00 H new ATOM 0 HA THR A 85 18.614 1.156 -1.994 1.00 0.00 H new ATOM 0 HB THR A 85 19.189 -1.739 -1.361 1.00 0.00 H new ATOM 0 HG1 THR A 85 21.327 -1.147 -2.136 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.841 -1.900 -3.763 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.126 -1.463 -3.571 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.319 -0.215 -4.002 1.00 0.00 H new ATOM 1318 N MET A 86 16.507 -1.055 -0.701 1.00 0.00 N ATOM 1319 CA MET A 86 15.142 -1.536 -0.706 1.00 0.00 C ATOM 1320 C MET A 86 14.190 -0.354 -0.546 1.00 0.00 C ATOM 1321 O MET A 86 13.339 -0.147 -1.395 1.00 0.00 O ATOM 1322 CB MET A 86 14.991 -2.635 0.359 1.00 0.00 C ATOM 1323 CG MET A 86 13.581 -2.762 0.931 1.00 0.00 C ATOM 1324 SD MET A 86 13.303 -4.325 1.816 1.00 0.00 S ATOM 1325 CE MET A 86 11.506 -4.304 2.001 1.00 0.00 C ATOM 0 H MET A 86 17.076 -1.453 0.046 1.00 0.00 H new ATOM 0 HA MET A 86 14.880 -2.001 -1.656 1.00 0.00 H new ATOM 0 HB2 MET A 86 15.282 -3.591 -0.077 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.685 -2.433 1.175 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.395 -1.930 1.610 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.858 -2.678 0.119 1.00 0.00 H new ATOM 0 HE1 MET A 86 11.184 -5.202 2.527 1.00 0.00 H new ATOM 0 HE2 MET A 86 11.209 -3.423 2.571 1.00 0.00 H new ATOM 0 HE3 MET A 86 11.039 -4.273 1.016 1.00 0.00 H new ATOM 1335 N ALA A 87 14.312 0.438 0.513 1.00 0.00 N ATOM 1336 CA ALA A 87 13.430 1.561 0.785 1.00 0.00 C ATOM 1337 C ALA A 87 13.380 2.561 -0.362 1.00 0.00 C ATOM 1338 O ALA A 87 12.303 3.091 -0.637 1.00 0.00 O ATOM 1339 CB ALA A 87 13.803 2.142 2.131 1.00 0.00 C ATOM 0 H ALA A 87 15.040 0.314 1.217 1.00 0.00 H new ATOM 0 HA ALA A 87 12.396 1.223 0.849 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.153 2.987 2.355 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.686 1.380 2.901 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.840 2.478 2.108 1.00 0.00 H new ATOM 1345 N GLN A 88 14.497 2.794 -1.048 1.00 0.00 N ATOM 1346 CA GLN A 88 14.465 3.635 -2.227 1.00 0.00 C ATOM 1347 C GLN A 88 13.706 2.944 -3.361 1.00 0.00 C ATOM 1348 O GLN A 88 12.911 3.614 -4.007 1.00 0.00 O ATOM 1349 CB GLN A 88 15.885 4.053 -2.595 1.00 0.00 C ATOM 1350 CG GLN A 88 15.954 5.058 -3.747 1.00 0.00 C ATOM 1351 CD GLN A 88 15.107 6.319 -3.564 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.121 6.956 -2.511 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.401 6.746 -4.598 1.00 0.00 N ATOM 0 H GLN A 88 15.415 2.418 -0.809 1.00 0.00 H new ATOM 0 HA GLN A 88 13.912 4.552 -2.023 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.365 4.487 -1.718 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.457 3.165 -2.865 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.993 5.355 -3.887 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.639 4.558 -4.663 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.395 6.212 -5.467 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.863 7.609 -4.526 1.00 0.00 H new ATOM 1362 N GLN A 89 13.871 1.633 -3.573 1.00 0.00 N ATOM 1363 CA GLN A 89 13.065 0.855 -4.509 1.00 0.00 C ATOM 1364 C GLN A 89 11.566 0.996 -4.238 1.00 0.00 C ATOM 1365 O GLN A 89 10.823 1.245 -5.189 1.00 0.00 O ATOM 1366 CB GLN A 89 13.478 -0.629 -4.485 1.00 0.00 C ATOM 1367 CG GLN A 89 14.350 -0.974 -5.686 1.00 0.00 C ATOM 1368 CD GLN A 89 14.758 -2.431 -5.761 1.00 0.00 C ATOM 1369 OE1 GLN A 89 14.831 -3.166 -4.780 1.00 0.00 O ATOM 1370 NE2 GLN A 89 15.078 -2.866 -6.959 1.00 0.00 N ATOM 0 H GLN A 89 14.579 1.079 -3.091 1.00 0.00 H new ATOM 0 HA GLN A 89 13.255 1.258 -5.504 1.00 0.00 H new ATOM 0 HB2 GLN A 89 14.020 -0.844 -3.564 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.588 -1.258 -4.485 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.813 -0.712 -6.598 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.249 -0.358 -5.657 1.00 0.00 H new ATOM 0 HE21 GLN A 89 15.011 -2.242 -7.763 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.393 -3.828 -7.085 1.00 0.00 H new ATOM 1379 N LEU A 90 11.099 0.841 -2.987 1.00 0.00 N ATOM 1380 CA LEU A 90 9.709 1.073 -2.644 1.00 0.00 C ATOM 1381 C LEU A 90 9.263 2.437 -3.133 1.00 0.00 C ATOM 1382 O LEU A 90 8.270 2.500 -3.855 1.00 0.00 O ATOM 1383 CB LEU A 90 9.498 0.950 -1.128 1.00 0.00 C ATOM 1384 CG LEU A 90 9.474 -0.461 -0.544 1.00 0.00 C ATOM 1385 CD1 LEU A 90 8.477 -1.386 -1.219 1.00 0.00 C ATOM 1386 CD2 LEU A 90 10.816 -1.099 -0.391 1.00 0.00 C ATOM 0 H LEU A 90 11.680 0.553 -2.199 1.00 0.00 H new ATOM 0 HA LEU A 90 9.102 0.313 -3.137 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.289 1.510 -0.629 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.556 1.437 -0.876 1.00 0.00 H new ATOM 0 HG LEU A 90 9.113 -0.303 0.472 1.00 0.00 H new ATOM 0 HD11 LEU A 90 8.518 -2.369 -0.750 1.00 0.00 H new ATOM 0 HD12 LEU A 90 7.472 -0.976 -1.116 1.00 0.00 H new ATOM 0 HD13 LEU A 90 8.724 -1.478 -2.277 1.00 0.00 H new ATOM 0 HD21 LEU A 90 10.698 -2.097 0.030 1.00 0.00 H new ATOM 0 HD22 LEU A 90 11.298 -1.171 -1.366 1.00 0.00 H new ATOM 0 HD23 LEU A 90 11.432 -0.495 0.274 1.00 0.00 H new ATOM 1398 N ILE A 91 9.965 3.509 -2.756 1.00 0.00 N ATOM 1399 CA ILE A 91 9.531 4.835 -3.157 1.00 0.00 C ATOM 1400 C ILE A 91 9.608 4.970 -4.668 1.00 0.00 C ATOM 1401 O ILE A 91 8.690 5.551 -5.221 1.00 0.00 O ATOM 1402 CB ILE A 91 10.254 5.965 -2.388 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.509 6.210 -1.058 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.268 7.292 -3.178 1.00 0.00 C ATOM 1405 CD1 ILE A 91 9.803 5.159 0.016 1.00 0.00 C ATOM 0 H ILE A 91 10.813 3.481 -2.189 1.00 0.00 H new ATOM 0 HA ILE A 91 8.485 4.955 -2.874 1.00 0.00 H new ATOM 0 HB ILE A 91 11.285 5.650 -2.226 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.781 7.194 -0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.436 6.229 -1.251 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.786 8.055 -2.598 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.784 7.145 -4.127 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.244 7.613 -3.368 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.244 5.398 0.921 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.504 4.175 -0.346 1.00 0.00 H new ATOM 0 HD13 ILE A 91 10.870 5.155 0.239 1.00 0.00 H new ATOM 1417 N ASP A 92 10.633 4.459 -5.341 1.00 0.00 N ATOM 1418 CA ASP A 92 10.798 4.644 -6.778 1.00 0.00 C ATOM 1419 C ASP A 92 9.606 4.064 -7.535 1.00 0.00 C ATOM 1420 O ASP A 92 9.080 4.725 -8.436 1.00 0.00 O ATOM 1421 CB ASP A 92 12.118 4.034 -7.278 1.00 0.00 C ATOM 1422 CG ASP A 92 13.196 5.102 -7.461 1.00 0.00 C ATOM 1423 OD1 ASP A 92 12.995 6.034 -8.273 1.00 0.00 O ATOM 1424 OD2 ASP A 92 14.284 5.012 -6.853 1.00 0.00 O ATOM 0 H ASP A 92 11.372 3.906 -4.907 1.00 0.00 H new ATOM 0 HA ASP A 92 10.840 5.716 -6.973 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.465 3.284 -6.568 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.947 3.522 -8.225 1.00 0.00 H new ATOM 1429 N ILE A 93 9.140 2.868 -7.156 1.00 0.00 N ATOM 1430 CA ILE A 93 8.024 2.209 -7.815 1.00 0.00 C ATOM 1431 C ILE A 93 6.723 2.940 -7.461 1.00 0.00 C ATOM 1432 O ILE A 93 5.874 3.151 -8.326 1.00 0.00 O ATOM 1433 CB ILE A 93 8.026 0.723 -7.395 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.291 0.022 -7.946 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.786 -0.003 -7.946 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.703 -1.260 -7.215 1.00 0.00 C ATOM 0 H ILE A 93 9.533 2.335 -6.380 1.00 0.00 H new ATOM 0 HA ILE A 93 8.114 2.246 -8.901 1.00 0.00 H new ATOM 0 HB ILE A 93 8.015 0.681 -6.306 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.125 -0.216 -8.997 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.122 0.726 -7.906 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.809 -1.048 -7.637 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.884 0.470 -7.557 1.00 0.00 H new ATOM 0 HG23 ILE A 93 6.785 0.054 -9.035 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.599 -1.671 -7.679 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.908 -1.033 -6.169 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.895 -1.989 -7.276 1.00 0.00 H new ATOM 1448 N VAL A 94 6.557 3.322 -6.194 1.00 0.00 N ATOM 1449 CA VAL A 94 5.378 4.015 -5.694 1.00 0.00 C ATOM 1450 C VAL A 94 5.242 5.377 -6.388 1.00 0.00 C ATOM 1451 O VAL A 94 4.217 5.671 -7.010 1.00 0.00 O ATOM 1452 CB VAL A 94 5.496 4.082 -4.156 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.541 5.088 -3.537 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.192 2.699 -3.567 1.00 0.00 C ATOM 0 H VAL A 94 7.258 3.152 -5.473 1.00 0.00 H new ATOM 0 HA VAL A 94 4.453 3.487 -5.927 1.00 0.00 H new ATOM 0 HB VAL A 94 6.513 4.400 -3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.668 5.092 -2.454 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.754 6.082 -3.931 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.515 4.813 -3.781 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.274 2.740 -2.481 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.181 2.400 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.905 1.973 -3.957 1.00 0.00 H new ATOM 1464 N HIS A 95 6.302 6.183 -6.334 1.00 0.00 N ATOM 1465 CA HIS A 95 6.453 7.461 -7.008 1.00 0.00 C ATOM 1466 C HIS A 95 6.167 7.275 -8.512 1.00 0.00 C ATOM 1467 O HIS A 95 5.534 8.117 -9.157 1.00 0.00 O ATOM 1468 CB HIS A 95 7.886 7.978 -6.784 1.00 0.00 C ATOM 1469 CG HIS A 95 8.210 9.295 -7.439 1.00 0.00 C ATOM 1470 ND1 HIS A 95 9.439 9.678 -7.920 1.00 0.00 N ATOM 1471 CD2 HIS A 95 7.333 10.304 -7.707 1.00 0.00 C ATOM 1472 CE1 HIS A 95 9.300 10.890 -8.481 1.00 0.00 C ATOM 1473 NE2 HIS A 95 8.031 11.337 -8.346 1.00 0.00 N ATOM 0 H HIS A 95 7.126 5.941 -5.783 1.00 0.00 H new ATOM 0 HA HIS A 95 5.749 8.190 -6.607 1.00 0.00 H new ATOM 0 HB2 HIS A 95 8.055 8.074 -5.712 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.586 7.227 -7.151 1.00 0.00 H new ATOM 0 HD1 HIS A 95 10.302 9.138 -7.861 1.00 0.00 H new ATOM 0 HD2 HIS A 95 6.280 10.306 -7.468 1.00 0.00 H new ATOM 0 HE1 HIS A 95 10.093 11.433 -8.973 1.00 0.00 H new ATOM 1481 N GLY A 96 6.602 6.135 -9.058 1.00 0.00 N ATOM 1482 CA GLY A 96 6.439 5.693 -10.432 1.00 0.00 C ATOM 1483 C GLY A 96 5.024 5.232 -10.791 1.00 0.00 C ATOM 1484 O GLY A 96 4.816 4.788 -11.923 1.00 0.00 O ATOM 0 H GLY A 96 7.115 5.451 -8.502 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.721 6.509 -11.098 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.133 4.874 -10.621 1.00 0.00 H new ATOM 1488 N CYS A 97 4.043 5.349 -9.895 1.00 0.00 N ATOM 1489 CA CYS A 97 2.639 5.063 -10.159 1.00 0.00 C ATOM 1490 C CYS A 97 1.731 6.189 -9.654 1.00 0.00 C ATOM 1491 O CYS A 97 0.756 6.474 -10.340 1.00 0.00 O ATOM 1492 CB CYS A 97 2.259 3.713 -9.551 1.00 0.00 C ATOM 1493 SG CYS A 97 2.701 2.262 -10.552 1.00 0.00 S ATOM 0 H CYS A 97 4.213 5.655 -8.937 1.00 0.00 H new ATOM 0 HA CYS A 97 2.494 5.006 -11.238 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.740 3.623 -8.577 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.183 3.701 -9.377 1.00 0.00 H new ATOM 1498 N GLU A 98 2.032 6.902 -8.558 1.00 0.00 N ATOM 1499 CA GLU A 98 1.136 7.921 -7.970 1.00 0.00 C ATOM 1500 C GLU A 98 0.713 9.027 -8.967 1.00 0.00 C ATOM 1501 O GLU A 98 -0.324 9.675 -8.792 1.00 0.00 O ATOM 1502 CB GLU A 98 1.805 8.575 -6.744 1.00 0.00 C ATOM 1503 CG GLU A 98 1.841 7.748 -5.449 1.00 0.00 C ATOM 1504 CD GLU A 98 0.487 7.539 -4.758 1.00 0.00 C ATOM 1505 OE1 GLU A 98 -0.313 6.709 -5.226 1.00 0.00 O ATOM 1506 OE2 GLU A 98 0.244 8.116 -3.674 1.00 0.00 O ATOM 0 H GLU A 98 2.908 6.790 -8.048 1.00 0.00 H new ATOM 0 HA GLU A 98 0.230 7.390 -7.678 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.830 8.830 -7.012 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.288 9.511 -6.534 1.00 0.00 H new ATOM 0 HG2 GLU A 98 2.268 6.771 -5.675 1.00 0.00 H new ATOM 0 HG3 GLU A 98 2.516 8.236 -4.746 1.00 0.00 H new ATOM 1513 N LYS A 99 1.454 9.218 -10.061 1.00 0.00 N ATOM 1514 CA LYS A 99 1.063 10.094 -11.170 1.00 0.00 C ATOM 1515 C LYS A 99 0.815 9.261 -12.418 1.00 0.00 C ATOM 1516 O LYS A 99 -0.207 9.428 -13.076 1.00 0.00 O ATOM 1517 CB LYS A 99 2.111 11.177 -11.472 1.00 0.00 C ATOM 1518 CG LYS A 99 2.393 12.205 -10.366 1.00 0.00 C ATOM 1519 CD LYS A 99 3.434 11.730 -9.345 1.00 0.00 C ATOM 1520 CE LYS A 99 3.890 12.906 -8.479 1.00 0.00 C ATOM 1521 NZ LYS A 99 5.050 12.547 -7.644 1.00 0.00 N ATOM 0 H LYS A 99 2.355 8.762 -10.204 1.00 0.00 H new ATOM 0 HA LYS A 99 0.150 10.606 -10.867 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.049 10.680 -11.719 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.792 11.718 -12.363 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.739 13.133 -10.822 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.463 12.433 -9.846 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.009 10.948 -8.716 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.289 11.294 -9.861 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.148 13.750 -9.118 1.00 0.00 H new ATOM 0 HE3 LYS A 99 3.068 13.229 -7.841 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 5.216 13.295 -6.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 4.861 11.648 -7.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 5.892 12.444 -8.246 1.00 0.00 H new ATOM 1535 N SER A 100 1.749 8.370 -12.739 1.00 0.00 N ATOM 1536 CA SER A 100 1.780 7.511 -13.909 1.00 0.00 C ATOM 1537 C SER A 100 0.478 6.743 -14.125 1.00 0.00 C ATOM 1538 O SER A 100 -0.123 6.828 -15.195 1.00 0.00 O ATOM 1539 CB SER A 100 2.986 6.602 -13.696 1.00 0.00 C ATOM 1540 OG SER A 100 4.187 7.342 -13.872 1.00 0.00 O ATOM 0 H SER A 100 2.562 8.222 -12.141 1.00 0.00 H new ATOM 0 HA SER A 100 1.875 8.090 -14.827 1.00 0.00 H new ATOM 0 HB2 SER A 100 2.956 6.173 -12.694 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.954 5.771 -14.400 1.00 0.00 H new ATOM 0 HG SER A 100 4.958 6.753 -13.732 1.00 0.00 H new ATOM 1546 N THR A 101 0.022 6.034 -13.103 1.00 0.00 N ATOM 1547 CA THR A 101 -1.159 5.198 -13.143 1.00 0.00 C ATOM 1548 C THR A 101 -2.396 6.042 -13.507 1.00 0.00 C ATOM 1549 O THR A 101 -2.669 7.051 -12.845 1.00 0.00 O ATOM 1550 CB THR A 101 -1.249 4.518 -11.776 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.162 3.622 -11.668 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.543 3.742 -11.575 1.00 0.00 C ATOM 0 H THR A 101 0.483 6.028 -12.193 1.00 0.00 H new ATOM 0 HA THR A 101 -1.108 4.431 -13.915 1.00 0.00 H new ATOM 0 HB THR A 101 -1.225 5.296 -11.013 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.280 3.059 -10.874 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.543 3.284 -10.586 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.391 4.421 -11.661 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.623 2.964 -12.335 1.00 0.00 H new ATOM 1560 N PRO A 102 -3.132 5.696 -14.575 1.00 0.00 N ATOM 1561 CA PRO A 102 -4.312 6.428 -15.014 1.00 0.00 C ATOM 1562 C PRO A 102 -5.483 6.171 -14.071 1.00 0.00 C ATOM 1563 O PRO A 102 -5.754 5.025 -13.704 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.595 5.929 -16.428 1.00 0.00 C ATOM 1565 CG PRO A 102 -4.031 4.509 -16.440 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.871 4.569 -15.455 1.00 0.00 C ATOM 0 HA PRO A 102 -4.157 7.507 -15.006 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.663 5.936 -16.647 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -4.112 6.557 -17.177 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.780 3.779 -16.132 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.695 4.221 -17.436 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.797 3.642 -14.886 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.924 4.698 -15.979 1.00 0.00 H new ATOM 1574 N ALA A 103 -6.189 7.237 -13.694 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.359 7.160 -12.840 1.00 0.00 C ATOM 1576 C ALA A 103 -8.359 8.262 -13.189 1.00 0.00 C ATOM 1577 O ALA A 103 -8.029 9.235 -13.876 1.00 0.00 O ATOM 1578 CB ALA A 103 -6.920 7.260 -11.376 1.00 0.00 C ATOM 0 H ALA A 103 -5.956 8.188 -13.981 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.859 6.204 -12.998 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.795 7.203 -10.729 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -6.242 6.439 -11.143 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.410 8.209 -11.213 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.574 8.103 -12.669 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.595 9.135 -12.540 1.00 0.00 C ATOM 1586 C ASN A 104 -10.444 9.828 -11.181 1.00 0.00 C ATOM 1587 O ASN A 104 -9.496 9.537 -10.450 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.992 8.581 -12.829 1.00 0.00 C ATOM 1589 CG ASN A 104 -12.536 7.887 -11.620 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -13.337 8.446 -10.882 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -12.008 6.718 -11.326 1.00 0.00 N ATOM 0 H ASN A 104 -9.887 7.202 -12.308 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.453 9.905 -13.299 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.659 9.392 -13.122 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -11.949 7.886 -13.667 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -12.263 6.247 -10.458 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -11.344 6.283 -11.966 1.00 0.00 H new ATOM 1598 N ASP A 105 -11.333 10.762 -10.842 1.00 0.00 N ATOM 1599 CA ASP A 105 -11.280 11.553 -9.616 1.00 0.00 C ATOM 1600 C ASP A 105 -11.453 10.700 -8.360 1.00 0.00 C ATOM 1601 O ASP A 105 -11.217 11.185 -7.255 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.389 12.610 -9.661 1.00 0.00 C ATOM 1603 CG ASP A 105 -11.859 14.001 -9.975 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -10.988 14.517 -9.247 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -12.368 14.603 -10.949 1.00 0.00 O ATOM 0 H ASP A 105 -12.132 10.995 -11.431 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.295 12.016 -9.563 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -13.125 12.327 -10.414 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.906 12.630 -8.702 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.877 9.439 -8.491 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.915 8.498 -7.390 1.00 0.00 C ATOM 1612 C ASP A 106 -10.479 8.267 -6.914 1.00 0.00 C ATOM 1613 O ASP A 106 -9.758 7.426 -7.463 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.557 7.175 -7.843 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.915 6.845 -7.250 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -14.176 7.181 -6.085 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -14.696 6.112 -7.894 1.00 0.00 O ATOM 0 H ASP A 106 -12.204 9.049 -9.375 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.517 8.895 -6.573 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -12.655 7.197 -8.928 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.872 6.362 -7.601 1.00 0.00 H new ATOM 1622 N LYS A 107 -10.069 8.963 -5.852 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.830 8.662 -5.128 1.00 0.00 C ATOM 1624 C LYS A 107 -8.805 7.180 -4.719 1.00 0.00 C ATOM 1625 O LYS A 107 -7.723 6.610 -4.641 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.649 9.585 -3.926 1.00 0.00 C ATOM 1627 CG LYS A 107 -8.321 11.015 -4.377 1.00 0.00 C ATOM 1628 CD LYS A 107 -6.837 11.262 -4.687 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.407 11.245 -6.160 1.00 0.00 C ATOM 1630 NZ LYS A 107 -5.083 11.892 -6.348 1.00 0.00 N ATOM 0 H LYS A 107 -10.587 9.753 -5.468 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.986 8.845 -5.793 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.558 9.589 -3.325 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.848 9.207 -3.290 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.908 11.245 -5.266 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.637 11.709 -3.598 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.563 12.230 -4.268 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.253 10.509 -4.158 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.364 10.216 -6.516 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.154 11.760 -6.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.861 11.939 -7.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -5.108 12.854 -5.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -4.352 11.336 -5.859 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.962 6.514 -4.536 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.977 5.071 -4.322 1.00 0.00 C ATOM 1646 C CYS A 108 -9.400 4.343 -5.537 1.00 0.00 C ATOM 1647 O CYS A 108 -8.538 3.488 -5.373 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.377 4.475 -4.101 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.511 5.118 -2.853 1.00 0.00 S ATOM 0 H CYS A 108 -10.882 6.954 -4.533 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.384 4.929 -3.418 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.897 4.534 -5.057 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.236 3.417 -3.880 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.941 4.607 -6.737 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.642 3.885 -7.968 1.00 0.00 C ATOM 1656 C ILE A 109 -8.184 4.125 -8.336 1.00 0.00 C ATOM 1657 O ILE A 109 -7.510 3.204 -8.802 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.606 4.359 -9.067 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -12.035 3.869 -8.745 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -10.178 3.945 -10.486 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.316 2.405 -9.083 1.00 0.00 C ATOM 0 H ILE A 109 -10.620 5.355 -6.874 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.782 2.811 -7.842 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.582 5.449 -9.069 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -12.223 4.022 -7.682 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.746 4.493 -9.287 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.906 4.315 -11.208 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -9.199 4.369 -10.709 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -10.125 2.858 -10.548 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.345 2.162 -8.819 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.167 2.243 -10.151 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.636 1.765 -8.521 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.716 5.356 -8.118 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.341 5.762 -8.170 1.00 0.00 C ATOM 1675 C TRP A 110 -5.471 4.829 -7.333 1.00 0.00 C ATOM 1676 O TRP A 110 -4.768 3.999 -7.917 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.263 7.221 -7.740 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.876 7.728 -7.678 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.985 7.639 -8.684 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -4.187 8.341 -6.555 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.802 8.222 -8.283 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.870 8.664 -6.978 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -4.543 8.655 -5.226 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.955 9.277 -6.121 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -3.616 9.248 -4.347 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -2.310 9.526 -4.792 1.00 0.00 C ATOM 0 H TRP A 110 -8.338 6.131 -7.888 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.947 5.688 -9.184 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.837 7.831 -8.437 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.729 7.332 -6.761 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.167 7.185 -9.647 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -1.978 8.315 -8.878 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -5.542 8.437 -4.878 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.977 9.558 -6.483 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -3.906 9.489 -3.335 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.581 9.932 -4.106 1.00 0.00 H new ATOM 1697 N THR A 111 -5.546 4.912 -6.006 1.00 0.00 N ATOM 1698 CA THR A 111 -4.672 4.169 -5.114 1.00 0.00 C ATOM 1699 C THR A 111 -4.805 2.651 -5.322 1.00 0.00 C ATOM 1700 O THR A 111 -3.809 1.940 -5.221 1.00 0.00 O ATOM 1701 CB THR A 111 -4.935 4.639 -3.675 1.00 0.00 C ATOM 1702 OG1 THR A 111 -4.876 6.049 -3.639 1.00 0.00 O ATOM 1703 CG2 THR A 111 -3.914 4.079 -2.691 1.00 0.00 C ATOM 0 H THR A 111 -6.222 5.502 -5.521 1.00 0.00 H new ATOM 0 HA THR A 111 -3.626 4.376 -5.342 1.00 0.00 H new ATOM 0 HB THR A 111 -5.919 4.276 -3.379 1.00 0.00 H new ATOM 0 HG1 THR A 111 -4.595 6.387 -4.515 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.141 4.439 -1.687 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.955 2.990 -2.704 1.00 0.00 H new ATOM 0 HG23 THR A 111 -2.915 4.408 -2.977 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.976 2.150 -5.743 1.00 0.00 N ATOM 1712 CA LEU A 112 -6.163 0.769 -6.198 1.00 0.00 C ATOM 1713 C LEU A 112 -5.093 0.396 -7.224 1.00 0.00 C ATOM 1714 O LEU A 112 -4.334 -0.551 -7.034 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.569 0.598 -6.797 1.00 0.00 C ATOM 1716 CG LEU A 112 -8.294 -0.729 -6.549 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -9.560 -0.726 -7.415 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -7.517 -1.986 -6.920 1.00 0.00 C ATOM 0 H LEU A 112 -6.832 2.704 -5.776 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.064 0.100 -5.343 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.198 1.400 -6.411 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.494 0.742 -7.875 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.469 -0.777 -5.474 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -10.105 -1.658 -7.266 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -10.193 0.115 -7.131 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.282 -0.632 -8.465 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -8.123 -2.866 -6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.276 -1.964 -7.983 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.595 -2.029 -6.339 1.00 0.00 H new ATOM 1730 N GLY A 113 -5.007 1.155 -8.316 1.00 0.00 N ATOM 1731 CA GLY A 113 -4.069 0.885 -9.392 1.00 0.00 C ATOM 1732 C GLY A 113 -2.625 1.157 -8.979 1.00 0.00 C ATOM 1733 O GLY A 113 -1.735 0.457 -9.458 1.00 0.00 O ATOM 0 H GLY A 113 -5.591 1.976 -8.475 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.166 -0.155 -9.704 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.321 1.502 -10.255 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.369 2.148 -8.114 1.00 0.00 N ATOM 1738 CA VAL A 114 -1.015 2.440 -7.635 1.00 0.00 C ATOM 1739 C VAL A 114 -0.527 1.286 -6.745 1.00 0.00 C ATOM 1740 O VAL A 114 0.652 0.931 -6.779 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.944 3.803 -6.904 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.505 4.117 -6.478 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -1.481 4.971 -7.759 1.00 0.00 C ATOM 0 H VAL A 114 -3.087 2.763 -7.731 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.350 2.523 -8.495 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.583 3.710 -6.026 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.533 5.079 -5.966 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.864 3.337 -5.806 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.143 4.157 -7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.406 5.900 -7.194 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.893 5.053 -8.673 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.524 4.785 -8.015 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.411 0.642 -5.980 1.00 0.00 N ATOM 1754 CA ALA A 115 -1.053 -0.560 -5.253 1.00 0.00 C ATOM 1755 C ALA A 115 -0.923 -1.740 -6.210 1.00 0.00 C ATOM 1756 O ALA A 115 -0.015 -2.548 -6.046 1.00 0.00 O ATOM 1757 CB ALA A 115 -2.113 -0.833 -4.184 1.00 0.00 C ATOM 0 H ALA A 115 -2.378 0.939 -5.853 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.087 -0.421 -4.767 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.850 -1.736 -3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.161 0.011 -3.496 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.084 -0.969 -4.661 1.00 0.00 H new ATOM 1763 N THR A 116 -1.798 -1.865 -7.206 1.00 0.00 N ATOM 1764 CA THR A 116 -1.834 -3.027 -8.080 1.00 0.00 C ATOM 1765 C THR A 116 -0.584 -3.102 -8.977 1.00 0.00 C ATOM 1766 O THR A 116 0.000 -4.182 -9.084 1.00 0.00 O ATOM 1767 CB THR A 116 -3.167 -3.035 -8.842 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.245 -3.014 -7.929 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.362 -4.306 -9.655 1.00 0.00 C ATOM 0 H THR A 116 -2.501 -1.160 -7.427 1.00 0.00 H new ATOM 0 HA THR A 116 -1.795 -3.944 -7.492 1.00 0.00 H new ATOM 0 HB THR A 116 -3.142 -2.161 -9.493 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.469 -2.086 -7.709 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.319 -4.262 -10.175 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.557 -4.399 -10.384 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.350 -5.169 -8.989 1.00 0.00 H new ATOM 1777 N CYS A 117 -0.120 -1.984 -9.563 1.00 0.00 N ATOM 1778 CA CYS A 117 1.127 -1.961 -10.335 1.00 0.00 C ATOM 1779 C CYS A 117 2.283 -2.431 -9.446 1.00 0.00 C ATOM 1780 O CYS A 117 2.990 -3.384 -9.762 1.00 0.00 O ATOM 1781 CB CYS A 117 1.414 -0.562 -10.920 1.00 0.00 C ATOM 1782 SG CYS A 117 1.560 0.797 -9.720 1.00 0.00 S ATOM 0 H CYS A 117 -0.595 -1.083 -9.514 1.00 0.00 H new ATOM 0 HA CYS A 117 1.022 -2.640 -11.181 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.340 -0.614 -11.493 1.00 0.00 H new ATOM 0 HB3 CYS A 117 0.618 -0.315 -11.622 1.00 0.00 H new ATOM 1787 N PHE A 118 2.431 -1.779 -8.295 1.00 0.00 N ATOM 1788 CA PHE A 118 3.442 -2.025 -7.287 1.00 0.00 C ATOM 1789 C PHE A 118 3.422 -3.476 -6.831 1.00 0.00 C ATOM 1790 O PHE A 118 4.477 -4.089 -6.726 1.00 0.00 O ATOM 1791 CB PHE A 118 3.142 -1.042 -6.160 1.00 0.00 C ATOM 1792 CG PHE A 118 3.887 -1.199 -4.855 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.212 -0.735 -4.742 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.203 -1.672 -3.715 1.00 0.00 C ATOM 1795 CE1 PHE A 118 5.832 -0.670 -3.485 1.00 0.00 C ATOM 1796 CE2 PHE A 118 3.818 -1.589 -2.461 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.120 -1.083 -2.341 1.00 0.00 C ATOM 0 H PHE A 118 1.805 -1.018 -8.031 1.00 0.00 H new ATOM 0 HA PHE A 118 4.451 -1.870 -7.668 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.336 -0.037 -6.535 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.075 -1.101 -5.943 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.752 -0.428 -5.625 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.214 -2.094 -3.810 1.00 0.00 H new ATOM 0 HE1 PHE A 118 6.845 -0.307 -3.395 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.286 -1.917 -1.580 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.580 -1.009 -1.367 1.00 0.00 H new ATOM 1807 N LYS A 119 2.239 -4.051 -6.615 1.00 0.00 N ATOM 1808 CA LYS A 119 2.073 -5.446 -6.239 1.00 0.00 C ATOM 1809 C LYS A 119 2.762 -6.346 -7.245 1.00 0.00 C ATOM 1810 O LYS A 119 3.584 -7.157 -6.831 1.00 0.00 O ATOM 1811 CB LYS A 119 0.574 -5.743 -6.002 1.00 0.00 C ATOM 1812 CG LYS A 119 0.104 -7.200 -6.049 1.00 0.00 C ATOM 1813 CD LYS A 119 -0.263 -7.664 -7.466 1.00 0.00 C ATOM 1814 CE LYS A 119 -1.280 -8.799 -7.412 1.00 0.00 C ATOM 1815 NZ LYS A 119 -0.717 -10.025 -6.820 1.00 0.00 N ATOM 0 H LYS A 119 1.356 -3.547 -6.699 1.00 0.00 H new ATOM 0 HA LYS A 119 2.567 -5.660 -5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.306 -5.339 -5.026 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.004 -5.186 -6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 119 0.890 -7.843 -5.654 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -0.762 -7.318 -5.398 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.672 -6.828 -8.034 1.00 0.00 H new ATOM 0 HD3 LYS A 119 0.634 -7.996 -7.989 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -2.145 -8.481 -6.830 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.635 -9.014 -8.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -0.767 -10.799 -7.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 0.275 -9.859 -6.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.262 -10.283 -5.972 1.00 0.00 H new ATOM 1829 N ALA A 120 2.489 -6.192 -8.541 1.00 0.00 N ATOM 1830 CA ALA A 120 3.170 -6.976 -9.560 1.00 0.00 C ATOM 1831 C ALA A 120 4.696 -6.883 -9.404 1.00 0.00 C ATOM 1832 O ALA A 120 5.379 -7.902 -9.480 1.00 0.00 O ATOM 1833 CB ALA A 120 2.684 -6.530 -10.940 1.00 0.00 C ATOM 0 H ALA A 120 1.802 -5.532 -8.905 1.00 0.00 H new ATOM 0 HA ALA A 120 2.925 -8.031 -9.441 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.190 -7.113 -11.710 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.608 -6.686 -11.015 1.00 0.00 H new ATOM 0 HB3 ALA A 120 2.908 -5.472 -11.080 1.00 0.00 H new ATOM 1839 N GLU A 121 5.242 -5.700 -9.120 1.00 0.00 N ATOM 1840 CA GLU A 121 6.673 -5.503 -8.892 1.00 0.00 C ATOM 1841 C GLU A 121 7.182 -6.287 -7.684 1.00 0.00 C ATOM 1842 O GLU A 121 8.235 -6.907 -7.783 1.00 0.00 O ATOM 1843 CB GLU A 121 7.020 -4.020 -8.721 1.00 0.00 C ATOM 1844 CG GLU A 121 6.519 -3.172 -9.888 1.00 0.00 C ATOM 1845 CD GLU A 121 7.214 -3.544 -11.205 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.461 -3.606 -11.260 1.00 0.00 O ATOM 1847 OE2 GLU A 121 6.494 -3.866 -12.181 1.00 0.00 O ATOM 0 H GLU A 121 4.696 -4.842 -9.041 1.00 0.00 H new ATOM 0 HA GLU A 121 7.173 -5.884 -9.783 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.584 -3.651 -7.793 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.101 -3.909 -8.631 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.442 -3.303 -9.996 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.692 -2.118 -9.671 1.00 0.00 H new ATOM 1854 N ILE A 122 6.460 -6.301 -6.560 1.00 0.00 N ATOM 1855 CA ILE A 122 6.884 -7.058 -5.366 1.00 0.00 C ATOM 1856 C ILE A 122 7.025 -8.547 -5.707 1.00 0.00 C ATOM 1857 O ILE A 122 7.995 -9.187 -5.284 1.00 0.00 O ATOM 1858 CB ILE A 122 5.947 -6.871 -4.145 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.499 -5.416 -3.900 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.628 -7.366 -2.856 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.589 -4.339 -3.984 1.00 0.00 C ATOM 0 H ILE A 122 5.579 -5.799 -6.446 1.00 0.00 H new ATOM 0 HA ILE A 122 7.851 -6.650 -5.071 1.00 0.00 H new ATOM 0 HB ILE A 122 5.062 -7.458 -4.389 1.00 0.00 H new ATOM 0 HG12 ILE A 122 4.722 -5.172 -4.625 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.042 -5.362 -2.912 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.954 -7.226 -2.011 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.870 -8.424 -2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.544 -6.799 -2.687 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.149 -3.360 -3.793 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.359 -4.542 -3.240 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.034 -4.349 -4.979 1.00 0.00 H new ATOM 1873 N HIS A 123 6.088 -9.090 -6.497 1.00 0.00 N ATOM 1874 CA HIS A 123 6.170 -10.467 -6.974 1.00 0.00 C ATOM 1875 C HIS A 123 7.466 -10.652 -7.777 1.00 0.00 C ATOM 1876 O HIS A 123 8.205 -11.614 -7.555 1.00 0.00 O ATOM 1877 CB HIS A 123 4.934 -10.861 -7.808 1.00 0.00 C ATOM 1878 CG HIS A 123 3.671 -11.105 -7.016 1.00 0.00 C ATOM 1879 ND1 HIS A 123 2.938 -12.270 -7.021 1.00 0.00 N ATOM 1880 CD2 HIS A 123 3.027 -10.223 -6.192 1.00 0.00 C ATOM 1881 CE1 HIS A 123 1.896 -12.100 -6.189 1.00 0.00 C ATOM 1882 NE2 HIS A 123 1.885 -10.852 -5.689 1.00 0.00 N ATOM 0 H HIS A 123 5.261 -8.587 -6.818 1.00 0.00 H new ATOM 0 HA HIS A 123 6.186 -11.132 -6.111 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.740 -10.072 -8.535 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.170 -11.764 -8.372 1.00 0.00 H new ATOM 0 HD1 HIS A 123 3.148 -13.111 -7.559 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.346 -9.216 -5.969 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.167 -12.862 -5.954 1.00 0.00 H new ATOM 1890 N LYS A 124 7.788 -9.728 -8.690 1.00 0.00 N ATOM 1891 CA LYS A 124 9.017 -9.792 -9.491 1.00 0.00 C ATOM 1892 C LYS A 124 10.258 -9.692 -8.605 1.00 0.00 C ATOM 1893 O LYS A 124 11.219 -10.423 -8.836 1.00 0.00 O ATOM 1894 CB LYS A 124 9.050 -8.681 -10.555 1.00 0.00 C ATOM 1895 CG LYS A 124 7.874 -8.758 -11.536 1.00 0.00 C ATOM 1896 CD LYS A 124 7.770 -7.485 -12.383 1.00 0.00 C ATOM 1897 CE LYS A 124 6.380 -7.309 -13.003 1.00 0.00 C ATOM 1898 NZ LYS A 124 6.291 -6.063 -13.789 1.00 0.00 N ATOM 0 H LYS A 124 7.205 -8.916 -8.894 1.00 0.00 H new ATOM 0 HA LYS A 124 9.021 -10.758 -9.995 1.00 0.00 H new ATOM 0 HB2 LYS A 124 9.040 -7.710 -10.060 1.00 0.00 H new ATOM 0 HB3 LYS A 124 9.985 -8.745 -11.111 1.00 0.00 H new ATOM 0 HG2 LYS A 124 7.998 -9.622 -12.189 1.00 0.00 H new ATOM 0 HG3 LYS A 124 6.946 -8.906 -10.984 1.00 0.00 H new ATOM 0 HD2 LYS A 124 8.001 -6.619 -11.763 1.00 0.00 H new ATOM 0 HD3 LYS A 124 8.517 -7.517 -13.176 1.00 0.00 H new ATOM 0 HE2 LYS A 124 6.156 -8.161 -13.644 1.00 0.00 H new ATOM 0 HE3 LYS A 124 5.628 -7.297 -12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 5.403 -6.056 -14.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 6.311 -5.245 -13.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.096 -6.008 -14.445 1.00 0.00 H new ATOM 1912 N LEU A 125 10.274 -8.790 -7.620 1.00 0.00 N ATOM 1913 CA LEU A 125 11.401 -8.559 -6.712 1.00 0.00 C ATOM 1914 C LEU A 125 11.660 -9.741 -5.788 1.00 0.00 C ATOM 1915 O LEU A 125 12.737 -9.814 -5.197 1.00 0.00 O ATOM 1916 CB LEU A 125 11.143 -7.320 -5.840 1.00 0.00 C ATOM 1917 CG LEU A 125 11.421 -6.006 -6.585 1.00 0.00 C ATOM 1918 CD1 LEU A 125 10.680 -4.857 -5.907 1.00 0.00 C ATOM 1919 CD2 LEU A 125 12.920 -5.690 -6.551 1.00 0.00 C ATOM 0 H LEU A 125 9.479 -8.182 -7.426 1.00 0.00 H new ATOM 0 HA LEU A 125 12.276 -8.413 -7.345 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.107 -7.329 -5.500 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.771 -7.369 -4.950 1.00 0.00 H new ATOM 0 HG LEU A 125 11.083 -6.118 -7.615 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.882 -3.928 -6.441 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.609 -5.057 -5.920 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.019 -4.764 -4.875 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.107 -4.757 -7.082 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.248 -5.591 -5.516 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.473 -6.497 -7.031 1.00 0.00 H new ATOM 1931 N ASN A 126 10.703 -10.664 -5.677 1.00 0.00 N ATOM 1932 CA ASN A 126 10.760 -11.824 -4.804 1.00 0.00 C ATOM 1933 C ASN A 126 10.709 -11.395 -3.332 1.00 0.00 C ATOM 1934 O ASN A 126 11.458 -11.905 -2.492 1.00 0.00 O ATOM 1935 CB ASN A 126 11.964 -12.718 -5.155 1.00 0.00 C ATOM 1936 CG ASN A 126 11.644 -14.165 -4.847 1.00 0.00 C ATOM 1937 OD1 ASN A 126 11.355 -14.945 -5.755 1.00 0.00 O ATOM 1938 ND2 ASN A 126 11.647 -14.534 -3.584 1.00 0.00 N ATOM 0 H ASN A 126 9.838 -10.617 -6.215 1.00 0.00 H new ATOM 0 HA ASN A 126 9.878 -12.443 -4.967 1.00 0.00 H new ATOM 0 HB2 ASN A 126 12.212 -12.609 -6.211 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.839 -12.402 -4.587 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.405 -15.492 -3.332 1.00 0.00 H new ATOM 0 HD22 ASN A 126 11.892 -13.862 -2.857 1.00 0.00 H new ATOM 1945 N TRP A 127 9.853 -10.415 -3.014 1.00 0.00 N ATOM 1946 CA TRP A 127 9.584 -9.970 -1.647 1.00 0.00 C ATOM 1947 C TRP A 127 8.142 -10.307 -1.240 1.00 0.00 C ATOM 1948 O TRP A 127 7.538 -9.573 -0.462 1.00 0.00 O ATOM 1949 CB TRP A 127 9.898 -8.482 -1.448 1.00 0.00 C ATOM 1950 CG TRP A 127 11.201 -7.880 -1.872 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.339 -8.507 -2.237 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.482 -6.457 -1.996 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.321 -7.572 -2.490 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.843 -6.280 -2.370 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.692 -5.301 -1.854 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.396 -5.004 -2.568 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 11.226 -4.019 -2.055 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.576 -3.869 -2.424 1.00 0.00 C ATOM 0 H TRP A 127 9.320 -9.902 -3.716 1.00 0.00 H new ATOM 0 HA TRP A 127 10.257 -10.516 -0.986 1.00 0.00 H new ATOM 0 HB2 TRP A 127 9.114 -7.925 -1.960 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.790 -8.278 -0.383 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.462 -9.577 -2.319 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.283 -7.805 -2.736 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.651 -5.403 -1.584 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.439 -4.895 -2.828 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.601 -3.147 -1.927 1.00 0.00 H new ATOM 0 HH2 TRP A 127 12.983 -2.883 -2.597 1.00 0.00 H new ATOM 1969 N ALA A 128 7.575 -11.385 -1.792 1.00 0.00 N ATOM 1970 CA ALA A 128 6.234 -11.872 -1.508 1.00 0.00 C ATOM 1971 C ALA A 128 6.264 -13.389 -1.407 1.00 0.00 C ATOM 1972 O ALA A 128 5.189 -14.025 -1.383 1.00 0.00 O ATOM 1973 CB ALA A 128 5.294 -11.411 -2.624 1.00 0.00 C ATOM 0 H ALA A 128 8.064 -11.961 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 128 5.873 -11.473 -0.560 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.285 -11.771 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.289 -10.322 -2.669 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.637 -11.812 -3.578 1.00 0.00 H new TER 1979 ALA A 128