USER MOD reduce.3.24.130724 H: found=0, std=0, add=944, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 946 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 93 LYS NZ :NH3+ -122:sc= -0.214 (180deg=-2.87!) USER MOD Set 1.2: A 96 SER OG : rot -170:sc=-0.00639 USER MOD Set 2.1: A 32 SER OG : rot -163:sc= 1.2 USER MOD Set 2.2: A 33 SER OG : rot 82:sc= -0.0152 USER MOD Set 2.3: A 92 TYR OH : rot 163:sc= 1.07 USER MOD Set 3.1: A 26 SER OG : rot -57:sc= 0.609 USER MOD Set 3.2: A 73 ASN :FLIP amide:sc= 0.194 F(o=-1.8,f=0.8) USER MOD Set 4.1: A 18 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 22 HIS : no HE2:sc= -2.74 K(o=-2.7,f=-8.5!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 THR OG1 : rot -160:sc= -2.77! USER MOD Single : A 11 TYR OH : rot 59:sc= -1.78! USER MOD Single : A 12 ASN : amide:sc= -0.793 K(o=-0.79,f=-1.5) USER MOD Single : A 13 GLN :FLIP amide:sc= -4.01 F(o=-5.1!,f=-4) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN :FLIP amide:sc= 0.2 F(o=-0.62,f=0.2) USER MOD Single : A 20 SER OG : rot -46:sc= 1.25 USER MOD Single : A 21 HIS :FLIP no HD1:sc= -0.126 F(o=-0.83,f=-0.13) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 130:sc= -0.456 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -2.69 K(o=-2.7,f=-3.6) USER MOD Single : A 39 THR OG1 : rot 180:sc=-0.00262 USER MOD Single : A 40 ASN : amide:sc= -0.777 K(o=-0.78,f=-7.4!) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 23:sc= 1.08 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HD1:sc= -0.961 K(o=-0.96,f=-4.4!) USER MOD Single : A 69 SER OG : rot -85:sc= 0.425 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 HIS : no HE2:sc= -3.94 X(o=-3.9,f=-4.4!) USER MOD Single : A 79 TYR OH : rot -30:sc= -0.112 USER MOD Single : A 85 THR OG1 : rot -150:sc= 0 USER MOD Single : A 90 HIS : no HE2:sc= -2.59 K(o=-2.5,f=-4) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 LYS NZ :NH3+ 153:sc= -0.313 (180deg=-1.42!) USER MOD Single : A 102 ASN :FLIP amide:sc= -1.55 F(o=-2.2,f=-1.6) USER MOD Single : A 110 TYR OH : rot 180:sc= -0.824 USER MOD Single : A 111 THR OG1 : rot 180:sc= -0.153 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 ASN : amide:sc=-0.00649 K(o=-0.0065,f=-1.3) USER MOD Single : A 115 LYS NZ :NH3+ 151:sc= -0.0107 (180deg=-0.49) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 135 SER OG : rot 31:sc= 0.319 USER MOD Single : A 136 HIS : no HD1:sc= -1.16 K(o=-1.2,f=-8.8!) USER MOD ----------------------------------------------------------------- ATOM 13 N VAL A 2 1.023 -0.305 -3.367 1.00 0.00 N ATOM 14 CA VAL A 2 0.354 -1.051 -4.425 1.00 0.00 C ATOM 15 C VAL A 2 1.392 -1.380 -5.495 1.00 0.00 C ATOM 16 O VAL A 2 2.254 -0.563 -5.826 1.00 0.00 O ATOM 17 CB VAL A 2 -0.859 -0.249 -4.921 1.00 0.00 C ATOM 18 CG1 VAL A 2 -0.459 0.983 -5.738 1.00 0.00 C ATOM 19 CG2 VAL A 2 -1.836 -1.172 -5.648 1.00 0.00 C ATOM 0 HA VAL A 2 -0.052 -2.002 -4.079 1.00 0.00 H new ATOM 0 HB VAL A 2 -1.379 0.157 -4.053 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -1.356 1.511 -6.062 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.150 1.645 -5.123 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.114 0.670 -6.611 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -2.692 -0.594 -5.996 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -1.337 -1.630 -6.502 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -2.177 -1.951 -4.966 1.00 0.00 H new ATOM 29 N THR A 3 1.365 -2.605 -5.978 1.00 0.00 N ATOM 30 CA THR A 3 2.265 -3.017 -7.045 1.00 0.00 C ATOM 31 C THR A 3 1.641 -2.649 -8.373 1.00 0.00 C ATOM 32 O THR A 3 0.505 -3.007 -8.627 1.00 0.00 O ATOM 33 CB THR A 3 2.524 -4.497 -6.883 1.00 0.00 C ATOM 34 OG1 THR A 3 3.633 -4.620 -6.020 1.00 0.00 O ATOM 35 CG2 THR A 3 2.873 -5.195 -8.158 1.00 0.00 C ATOM 0 H THR A 3 0.732 -3.335 -5.652 1.00 0.00 H new ATOM 0 HA THR A 3 3.229 -2.509 -7.003 1.00 0.00 H new ATOM 0 HB THR A 3 1.609 -4.956 -6.507 1.00 0.00 H new ATOM 0 HG1 THR A 3 3.838 -5.569 -5.884 1.00 0.00 H new ATOM 0 HG21 THR A 3 3.044 -6.253 -7.959 1.00 0.00 H new ATOM 0 HG22 THR A 3 2.053 -5.088 -8.868 1.00 0.00 H new ATOM 0 HG23 THR A 3 3.777 -4.754 -8.578 1.00 0.00 H new ATOM 43 N TRP A 4 2.348 -1.876 -9.186 1.00 0.00 N ATOM 44 CA TRP A 4 1.893 -1.501 -10.508 1.00 0.00 C ATOM 45 C TRP A 4 2.282 -2.566 -11.513 1.00 0.00 C ATOM 46 O TRP A 4 3.369 -3.114 -11.428 1.00 0.00 O ATOM 47 CB TRP A 4 2.526 -0.172 -10.856 1.00 0.00 C ATOM 48 CG TRP A 4 2.096 0.952 -9.977 1.00 0.00 C ATOM 49 CD1 TRP A 4 2.354 1.067 -8.661 1.00 0.00 C ATOM 50 CD2 TRP A 4 1.328 2.129 -10.339 1.00 0.00 C ATOM 51 NE1 TRP A 4 1.772 2.222 -8.180 1.00 0.00 N ATOM 52 CE2 TRP A 4 1.138 2.925 -9.177 1.00 0.00 C ATOM 53 CE3 TRP A 4 0.784 2.612 -11.538 1.00 0.00 C ATOM 54 CZ2 TRP A 4 0.422 4.132 -9.200 1.00 0.00 C ATOM 55 CZ3 TRP A 4 0.110 3.840 -11.589 1.00 0.00 C ATOM 56 CH2 TRP A 4 -0.065 4.614 -10.426 1.00 0.00 C ATOM 0 H TRP A 4 3.260 -1.491 -8.940 1.00 0.00 H new ATOM 0 HA TRP A 4 0.807 -1.410 -10.530 1.00 0.00 H new ATOM 0 HB2 TRP A 4 3.610 -0.271 -10.798 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.283 0.075 -11.890 1.00 0.00 H new ATOM 0 HD1 TRP A 4 2.927 0.365 -8.073 1.00 0.00 H new ATOM 0 HE1 TRP A 4 1.808 2.518 -7.205 1.00 0.00 H new ATOM 0 HE3 TRP A 4 0.886 2.026 -12.440 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 0.248 4.683 -8.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 -0.279 4.196 -12.531 1.00 0.00 H new ATOM 0 HH2 TRP A 4 -0.568 5.568 -10.476 1.00 0.00 H new ATOM 67 N THR A 5 1.418 -2.831 -12.479 1.00 0.00 N ATOM 68 CA THR A 5 1.641 -3.880 -13.467 1.00 0.00 C ATOM 69 C THR A 5 1.485 -3.279 -14.842 1.00 0.00 C ATOM 70 O THR A 5 0.486 -2.634 -15.155 1.00 0.00 O ATOM 71 CB THR A 5 0.714 -5.076 -13.218 1.00 0.00 C ATOM 72 OG1 THR A 5 1.515 -6.032 -12.596 1.00 0.00 O ATOM 73 CG2 THR A 5 0.176 -5.792 -14.454 1.00 0.00 C ATOM 0 H THR A 5 0.541 -2.326 -12.603 1.00 0.00 H new ATOM 0 HA THR A 5 2.653 -4.277 -13.383 1.00 0.00 H new ATOM 0 HB THR A 5 -0.145 -4.686 -12.672 1.00 0.00 H new ATOM 0 HG1 THR A 5 1.102 -6.916 -12.689 1.00 0.00 H new ATOM 0 HG21 THR A 5 -0.466 -6.618 -14.146 1.00 0.00 H new ATOM 0 HG22 THR A 5 -0.400 -5.091 -15.059 1.00 0.00 H new ATOM 0 HG23 THR A 5 1.009 -6.179 -15.041 1.00 0.00 H new ATOM 81 N CYS A 6 2.505 -3.458 -15.668 1.00 0.00 N ATOM 82 CA CYS A 6 2.479 -2.958 -17.041 1.00 0.00 C ATOM 83 C CYS A 6 2.647 -4.116 -18.011 1.00 0.00 C ATOM 84 O CYS A 6 3.547 -4.111 -18.847 1.00 0.00 O ATOM 85 CB CYS A 6 3.543 -1.895 -17.218 1.00 0.00 C ATOM 86 SG CYS A 6 3.619 -0.735 -15.850 1.00 0.00 S ATOM 0 H CYS A 6 3.364 -3.946 -15.414 1.00 0.00 H new ATOM 0 HA CYS A 6 1.517 -2.492 -17.255 1.00 0.00 H new ATOM 0 HB2 CYS A 6 4.514 -2.377 -17.331 1.00 0.00 H new ATOM 0 HB3 CYS A 6 3.350 -1.347 -18.140 1.00 0.00 H new ATOM 91 N GLY A 7 1.797 -5.128 -17.865 1.00 0.00 N ATOM 92 CA GLY A 7 1.822 -6.325 -18.696 1.00 0.00 C ATOM 93 C GLY A 7 1.739 -7.580 -17.849 1.00 0.00 C ATOM 94 O GLY A 7 0.654 -7.980 -17.451 1.00 0.00 O ATOM 0 H GLY A 7 1.063 -5.139 -17.157 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.989 -6.301 -19.399 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.737 -6.342 -19.287 1.00 0.00 H new ATOM 98 N GLY A 8 2.896 -8.163 -17.548 1.00 0.00 N ATOM 99 CA GLY A 8 3.015 -9.360 -16.704 1.00 0.00 C ATOM 100 C GLY A 8 4.084 -9.241 -15.621 1.00 0.00 C ATOM 101 O GLY A 8 4.423 -10.230 -14.982 1.00 0.00 O ATOM 0 H GLY A 8 3.794 -7.816 -17.886 1.00 0.00 H new ATOM 0 HA2 GLY A 8 2.053 -9.559 -16.232 1.00 0.00 H new ATOM 0 HA3 GLY A 8 3.244 -10.218 -17.336 1.00 0.00 H new ATOM 105 N LEU A 9 4.639 -8.041 -15.449 1.00 0.00 N ATOM 106 CA LEU A 9 5.719 -7.750 -14.518 1.00 0.00 C ATOM 107 C LEU A 9 5.208 -6.789 -13.458 1.00 0.00 C ATOM 108 O LEU A 9 4.466 -5.859 -13.773 1.00 0.00 O ATOM 109 CB LEU A 9 6.948 -7.139 -15.213 1.00 0.00 C ATOM 110 CG LEU A 9 7.067 -7.414 -16.731 1.00 0.00 C ATOM 111 CD1 LEU A 9 6.355 -6.309 -17.548 1.00 0.00 C ATOM 112 CD2 LEU A 9 8.528 -7.585 -17.155 1.00 0.00 C ATOM 0 H LEU A 9 4.336 -7.220 -15.974 1.00 0.00 H new ATOM 0 HA LEU A 9 6.036 -8.692 -14.071 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.931 -6.060 -15.058 1.00 0.00 H new ATOM 0 HB3 LEU A 9 7.845 -7.517 -14.723 1.00 0.00 H new ATOM 0 HG LEU A 9 6.563 -8.357 -16.944 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.452 -6.524 -18.612 1.00 0.00 H new ATOM 0 HD12 LEU A 9 5.299 -6.280 -17.278 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.812 -5.344 -17.330 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.576 -7.777 -18.227 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.083 -6.676 -16.924 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.967 -8.425 -16.616 1.00 0.00 H new ATOM 124 N LEU A 10 5.632 -7.028 -12.222 1.00 0.00 N ATOM 125 CA LEU A 10 5.113 -6.361 -11.040 1.00 0.00 C ATOM 126 C LEU A 10 6.149 -5.347 -10.576 1.00 0.00 C ATOM 127 O LEU A 10 7.261 -5.699 -10.200 1.00 0.00 O ATOM 128 CB LEU A 10 4.809 -7.385 -9.928 1.00 0.00 C ATOM 129 CG LEU A 10 3.595 -8.333 -10.144 1.00 0.00 C ATOM 130 CD1 LEU A 10 2.241 -7.618 -10.145 1.00 0.00 C ATOM 131 CD2 LEU A 10 3.712 -9.122 -11.446 1.00 0.00 C ATOM 0 H LEU A 10 6.363 -7.707 -12.012 1.00 0.00 H new ATOM 0 HA LEU A 10 4.178 -5.853 -11.276 1.00 0.00 H new ATOM 0 HB2 LEU A 10 5.697 -8.001 -9.785 1.00 0.00 H new ATOM 0 HB3 LEU A 10 4.648 -6.837 -9.000 1.00 0.00 H new ATOM 0 HG LEU A 10 3.628 -9.005 -9.286 1.00 0.00 H new ATOM 0 HD11 LEU A 10 1.445 -8.346 -10.301 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.093 -7.118 -9.188 1.00 0.00 H new ATOM 0 HD13 LEU A 10 2.220 -6.880 -10.947 1.00 0.00 H new ATOM 0 HD21 LEU A 10 2.844 -9.771 -11.557 1.00 0.00 H new ATOM 0 HD22 LEU A 10 3.758 -8.431 -12.287 1.00 0.00 H new ATOM 0 HD23 LEU A 10 4.618 -9.728 -11.424 1.00 0.00 H new ATOM 143 N TYR A 11 5.780 -4.080 -10.613 1.00 0.00 N ATOM 144 CA TYR A 11 6.656 -2.945 -10.373 1.00 0.00 C ATOM 145 C TYR A 11 6.265 -2.362 -9.030 1.00 0.00 C ATOM 146 O TYR A 11 5.252 -1.663 -8.894 1.00 0.00 O ATOM 147 CB TYR A 11 6.524 -1.926 -11.500 1.00 0.00 C ATOM 148 CG TYR A 11 6.908 -2.494 -12.845 1.00 0.00 C ATOM 149 CD1 TYR A 11 8.253 -2.805 -13.111 1.00 0.00 C ATOM 150 CD2 TYR A 11 5.914 -2.736 -13.815 1.00 0.00 C ATOM 151 CE1 TYR A 11 8.622 -3.314 -14.365 1.00 0.00 C ATOM 152 CE2 TYR A 11 6.273 -3.279 -15.067 1.00 0.00 C ATOM 153 CZ TYR A 11 7.642 -3.518 -15.355 1.00 0.00 C ATOM 154 OH TYR A 11 8.043 -3.788 -16.615 1.00 0.00 O ATOM 0 H TYR A 11 4.821 -3.800 -10.820 1.00 0.00 H new ATOM 0 HA TYR A 11 7.703 -3.246 -10.353 1.00 0.00 H new ATOM 0 HB2 TYR A 11 5.496 -1.567 -11.542 1.00 0.00 H new ATOM 0 HB3 TYR A 11 7.154 -1.064 -11.281 1.00 0.00 H new ATOM 0 HD1 TYR A 11 9.003 -2.652 -12.349 1.00 0.00 H new ATOM 0 HD2 TYR A 11 4.881 -2.506 -13.600 1.00 0.00 H new ATOM 0 HE1 TYR A 11 9.656 -3.549 -14.571 1.00 0.00 H new ATOM 0 HE2 TYR A 11 5.513 -3.510 -15.799 1.00 0.00 H new ATOM 0 HH TYR A 11 8.590 -4.601 -16.617 1.00 0.00 H new ATOM 164 N ASN A 12 7.019 -2.729 -7.996 1.00 0.00 N ATOM 165 CA ASN A 12 6.756 -2.182 -6.680 1.00 0.00 C ATOM 166 C ASN A 12 6.784 -0.661 -6.764 1.00 0.00 C ATOM 167 O ASN A 12 7.819 -0.086 -7.089 1.00 0.00 O ATOM 168 CB ASN A 12 7.795 -2.697 -5.681 1.00 0.00 C ATOM 169 CG ASN A 12 7.486 -2.224 -4.283 1.00 0.00 C ATOM 170 OD1 ASN A 12 8.339 -1.721 -3.580 1.00 0.00 O ATOM 171 ND2 ASN A 12 6.258 -2.382 -3.852 1.00 0.00 N ATOM 0 H ASN A 12 7.797 -3.387 -8.046 1.00 0.00 H new ATOM 0 HA ASN A 12 5.773 -2.500 -6.333 1.00 0.00 H new ATOM 0 HB2 ASN A 12 7.816 -3.787 -5.703 1.00 0.00 H new ATOM 0 HB3 ASN A 12 8.787 -2.353 -5.974 1.00 0.00 H new ATOM 0 HD21 ASN A 12 6.005 -2.080 -2.911 1.00 0.00 H new ATOM 0 HD22 ASN A 12 5.556 -2.807 -4.458 1.00 0.00 H new ATOM 178 N GLN A 13 5.656 -0.012 -6.463 1.00 0.00 N ATOM 179 CA GLN A 13 5.621 1.441 -6.518 1.00 0.00 C ATOM 180 C GLN A 13 6.750 2.084 -5.750 1.00 0.00 C ATOM 181 O GLN A 13 7.419 2.949 -6.277 1.00 0.00 O ATOM 182 CB GLN A 13 4.314 1.992 -5.940 1.00 0.00 C ATOM 183 CG GLN A 13 4.239 3.541 -5.942 1.00 0.00 C ATOM 184 CD GLN A 13 4.810 4.135 -7.217 1.00 0.00 C ATOM 185 OE1 GLN A 13 4.469 3.557 -8.345 1.00 0.00 O flip ATOM 186 NE2 GLN A 13 5.590 5.065 -7.238 1.00 0.00 N flip ATOM 0 H GLN A 13 4.782 -0.459 -6.187 1.00 0.00 H new ATOM 0 HA GLN A 13 5.714 1.685 -7.576 1.00 0.00 H new ATOM 0 HB2 GLN A 13 3.477 1.595 -6.514 1.00 0.00 H new ATOM 0 HB3 GLN A 13 4.198 1.632 -4.918 1.00 0.00 H new ATOM 0 HG2 GLN A 13 3.201 3.854 -5.829 1.00 0.00 H new ATOM 0 HG3 GLN A 13 4.785 3.932 -5.083 1.00 0.00 H new ATOM 0 HE21 GLN A 13 5.862 5.522 -6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 13 5.973 5.389 -8.126 1.00 0.00 H new ATOM 195 N ASN A 14 7.007 1.582 -4.550 1.00 0.00 N ATOM 196 CA ASN A 14 8.137 2.073 -3.782 1.00 0.00 C ATOM 197 C ASN A 14 9.416 2.127 -4.609 1.00 0.00 C ATOM 198 O ASN A 14 10.111 3.104 -4.541 1.00 0.00 O ATOM 199 CB ASN A 14 8.402 1.133 -2.619 1.00 0.00 C ATOM 200 CG ASN A 14 8.843 1.843 -1.370 1.00 0.00 C ATOM 201 OD1 ASN A 14 9.425 2.906 -1.356 1.00 0.00 O ATOM 202 ND2 ASN A 14 8.627 1.186 -0.266 1.00 0.00 N ATOM 0 H ASN A 14 6.460 0.850 -4.097 1.00 0.00 H new ATOM 0 HA ASN A 14 7.880 3.078 -3.448 1.00 0.00 H new ATOM 0 HB2 ASN A 14 7.496 0.566 -2.406 1.00 0.00 H new ATOM 0 HB3 ASN A 14 9.168 0.414 -2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.949 1.565 0.624 1.00 0.00 H new ATOM 0 HD22 ASN A 14 8.136 0.292 -0.292 1.00 0.00 H new ATOM 209 N LYS A 15 9.728 1.117 -5.426 1.00 0.00 N ATOM 210 CA LYS A 15 10.799 1.189 -6.428 1.00 0.00 C ATOM 211 C LYS A 15 10.484 2.126 -7.585 1.00 0.00 C ATOM 212 O LYS A 15 11.351 2.894 -7.943 1.00 0.00 O ATOM 213 CB LYS A 15 11.109 -0.216 -6.954 1.00 0.00 C ATOM 214 CG LYS A 15 12.254 -0.844 -6.145 1.00 0.00 C ATOM 215 CD LYS A 15 11.897 -2.261 -5.673 1.00 0.00 C ATOM 216 CE LYS A 15 12.725 -2.634 -4.441 1.00 0.00 C ATOM 217 NZ LYS A 15 11.900 -3.396 -3.474 1.00 0.00 N ATOM 0 H LYS A 15 9.242 0.220 -5.412 1.00 0.00 H new ATOM 0 HA LYS A 15 11.672 1.606 -5.927 1.00 0.00 H new ATOM 0 HB2 LYS A 15 10.220 -0.842 -6.886 1.00 0.00 H new ATOM 0 HB3 LYS A 15 11.383 -0.166 -8.008 1.00 0.00 H new ATOM 0 HG2 LYS A 15 13.156 -0.879 -6.756 1.00 0.00 H new ATOM 0 HG3 LYS A 15 12.478 -0.217 -5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.835 -2.316 -5.436 1.00 0.00 H new ATOM 0 HD3 LYS A 15 12.082 -2.976 -6.474 1.00 0.00 H new ATOM 0 HE2 LYS A 15 13.587 -3.229 -4.741 1.00 0.00 H new ATOM 0 HE3 LYS A 15 13.111 -1.731 -3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 12.476 -3.642 -2.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 11.091 -2.815 -3.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 11.553 -4.267 -3.924 1.00 0.00 H new ATOM 231 N ALA A 16 9.283 2.178 -8.127 1.00 0.00 N ATOM 232 CA ALA A 16 8.963 3.182 -9.135 1.00 0.00 C ATOM 233 C ALA A 16 9.291 4.624 -8.703 1.00 0.00 C ATOM 234 O ALA A 16 9.814 5.390 -9.496 1.00 0.00 O ATOM 235 CB ALA A 16 7.488 3.094 -9.434 1.00 0.00 C ATOM 0 H ALA A 16 8.517 1.546 -7.893 1.00 0.00 H new ATOM 0 HA ALA A 16 9.580 2.968 -10.008 1.00 0.00 H new ATOM 0 HB1 ALA A 16 7.224 3.837 -10.187 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.251 2.098 -9.809 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.920 3.283 -8.523 1.00 0.00 H new ATOM 241 N GLU A 17 9.032 4.998 -7.452 1.00 0.00 N ATOM 242 CA GLU A 17 9.421 6.295 -6.903 1.00 0.00 C ATOM 243 C GLU A 17 10.848 6.247 -6.375 1.00 0.00 C ATOM 244 O GLU A 17 11.604 7.150 -6.683 1.00 0.00 O ATOM 245 CB GLU A 17 8.438 6.798 -5.835 1.00 0.00 C ATOM 246 CG GLU A 17 8.124 5.724 -4.798 1.00 0.00 C ATOM 247 CD GLU A 17 7.458 6.253 -3.548 1.00 0.00 C ATOM 248 OE1 GLU A 17 8.105 7.107 -2.900 1.00 0.00 O ATOM 249 OE2 GLU A 17 6.357 5.733 -3.234 1.00 0.00 O ATOM 0 H GLU A 17 8.541 4.403 -6.784 1.00 0.00 H new ATOM 0 HA GLU A 17 9.383 7.018 -7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 17 8.859 7.671 -5.337 1.00 0.00 H new ATOM 0 HB3 GLU A 17 7.514 7.120 -6.315 1.00 0.00 H new ATOM 0 HG2 GLU A 17 7.477 4.973 -5.252 1.00 0.00 H new ATOM 0 HG3 GLU A 17 9.050 5.221 -4.519 1.00 0.00 H new ATOM 256 N SER A 18 11.250 5.201 -5.652 1.00 0.00 N ATOM 257 CA SER A 18 12.555 5.026 -5.006 1.00 0.00 C ATOM 258 C SER A 18 13.635 4.779 -6.034 1.00 0.00 C ATOM 259 O SER A 18 14.515 5.613 -6.142 1.00 0.00 O ATOM 260 CB SER A 18 12.653 3.863 -4.023 1.00 0.00 C ATOM 261 OG SER A 18 13.960 3.860 -3.474 1.00 0.00 O ATOM 0 H SER A 18 10.636 4.403 -5.491 1.00 0.00 H new ATOM 0 HA SER A 18 12.683 5.958 -4.455 1.00 0.00 H new ATOM 0 HB2 SER A 18 11.909 3.968 -3.234 1.00 0.00 H new ATOM 0 HB3 SER A 18 12.450 2.919 -4.529 1.00 0.00 H new ATOM 0 HG SER A 18 14.046 3.120 -2.837 1.00 0.00 H new ATOM 267 N ASN A 19 13.590 3.691 -6.811 1.00 0.00 N ATOM 268 CA ASN A 19 14.454 3.490 -7.981 1.00 0.00 C ATOM 269 C ASN A 19 14.643 4.792 -8.778 1.00 0.00 C ATOM 270 O ASN A 19 15.749 5.087 -9.209 1.00 0.00 O ATOM 271 CB ASN A 19 13.913 2.383 -8.898 1.00 0.00 C ATOM 272 CG ASN A 19 14.987 1.802 -9.783 1.00 0.00 C ATOM 273 OD1 ASN A 19 15.498 2.568 -10.714 1.00 0.00 O flip ATOM 274 ND2 ASN A 19 15.384 0.677 -9.585 1.00 0.00 N flip ATOM 0 H ASN A 19 12.947 2.917 -6.644 1.00 0.00 H new ATOM 0 HA ASN A 19 15.427 3.178 -7.602 1.00 0.00 H new ATOM 0 HB2 ASN A 19 13.477 1.590 -8.290 1.00 0.00 H new ATOM 0 HB3 ASN A 19 13.112 2.786 -9.518 1.00 0.00 H new ATOM 0 HD21 ASN A 19 14.962 0.109 -8.850 1.00 0.00 H new ATOM 0 HD22 ASN A 19 16.141 0.296 -10.152 1.00 0.00 H new ATOM 281 N SER A 20 13.591 5.606 -8.900 1.00 0.00 N ATOM 282 CA SER A 20 13.656 6.922 -9.547 1.00 0.00 C ATOM 283 C SER A 20 14.139 8.079 -8.684 1.00 0.00 C ATOM 284 O SER A 20 14.655 9.060 -9.188 1.00 0.00 O ATOM 285 CB SER A 20 12.294 7.305 -10.095 1.00 0.00 C ATOM 286 OG SER A 20 11.558 8.164 -9.237 1.00 0.00 O ATOM 0 H SER A 20 12.662 5.370 -8.550 1.00 0.00 H new ATOM 0 HA SER A 20 14.407 6.782 -10.324 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.424 7.794 -11.060 1.00 0.00 H new ATOM 0 HB3 SER A 20 11.715 6.399 -10.272 1.00 0.00 H new ATOM 0 HG SER A 20 11.598 7.822 -8.319 1.00 0.00 H new ATOM 292 N HIS A 21 13.954 7.996 -7.369 1.00 0.00 N ATOM 293 CA HIS A 21 14.373 9.002 -6.394 1.00 0.00 C ATOM 294 C HIS A 21 15.857 9.279 -6.572 1.00 0.00 C ATOM 295 O HIS A 21 16.290 10.393 -6.300 1.00 0.00 O ATOM 296 CB HIS A 21 14.075 8.548 -4.940 1.00 0.00 C ATOM 297 CG HIS A 21 12.771 9.025 -4.349 1.00 0.00 C ATOM 298 ND1 HIS A 21 11.660 9.457 -5.021 1.00 0.00 N flip ATOM 299 CD2 HIS A 21 12.479 9.036 -2.998 1.00 0.00 C flip ATOM 300 CE1 HIS A 21 10.696 9.738 -4.074 1.00 0.00 C flip ATOM 301 NE2 HIS A 21 11.216 9.483 -2.852 1.00 0.00 N flip ATOM 0 H HIS A 21 13.491 7.197 -6.936 1.00 0.00 H new ATOM 0 HA HIS A 21 13.804 9.915 -6.569 1.00 0.00 H new ATOM 0 HB2 HIS A 21 14.086 7.458 -4.912 1.00 0.00 H new ATOM 0 HB3 HIS A 21 14.888 8.892 -4.300 1.00 0.00 H new ATOM 0 HD2 HIS A 21 13.145 8.739 -2.201 1.00 0.00 H new ATOM 0 HE1 HIS A 21 9.698 10.099 -4.274 1.00 0.00 H new ATOM 0 HE2 HIS A 21 10.731 9.609 -1.964 1.00 0.00 H new ATOM 310 N HIS A 22 16.616 8.249 -6.964 1.00 0.00 N ATOM 311 CA HIS A 22 18.028 8.320 -7.245 1.00 0.00 C ATOM 312 C HIS A 22 18.289 8.989 -8.584 1.00 0.00 C ATOM 313 O HIS A 22 19.195 9.807 -8.652 1.00 0.00 O ATOM 314 CB HIS A 22 18.664 6.920 -7.221 1.00 0.00 C ATOM 315 CG HIS A 22 17.959 5.827 -6.453 1.00 0.00 C ATOM 316 ND1 HIS A 22 17.973 4.520 -6.849 1.00 0.00 N ATOM 317 CD2 HIS A 22 17.194 5.895 -5.321 1.00 0.00 C ATOM 318 CE1 HIS A 22 17.241 3.790 -6.001 1.00 0.00 C ATOM 319 NE2 HIS A 22 16.745 4.610 -5.046 1.00 0.00 N ATOM 0 H HIS A 22 16.234 7.312 -7.095 1.00 0.00 H new ATOM 0 HA HIS A 22 18.487 8.925 -6.463 1.00 0.00 H new ATOM 0 HB2 HIS A 22 18.771 6.586 -8.253 1.00 0.00 H new ATOM 0 HB3 HIS A 22 19.670 7.018 -6.812 1.00 0.00 H new ATOM 0 HD1 HIS A 22 18.466 4.157 -7.665 1.00 0.00 H new ATOM 0 HD2 HIS A 22 16.979 6.784 -4.747 1.00 0.00 H new ATOM 0 HE1 HIS A 22 17.074 2.725 -6.067 1.00 0.00 H new ATOM 328 N ALA A 23 17.473 8.657 -9.596 1.00 0.00 N ATOM 329 CA ALA A 23 17.480 9.263 -10.915 1.00 0.00 C ATOM 330 C ALA A 23 17.719 10.781 -10.837 1.00 0.00 C ATOM 331 O ALA A 23 16.979 11.487 -10.139 1.00 0.00 O ATOM 332 CB ALA A 23 16.175 8.990 -11.661 1.00 0.00 C ATOM 0 H ALA A 23 16.765 7.928 -9.503 1.00 0.00 H new ATOM 0 HA ALA A 23 18.303 8.807 -11.466 1.00 0.00 H new ATOM 0 HB1 ALA A 23 16.214 9.458 -12.645 1.00 0.00 H new ATOM 0 HB2 ALA A 23 16.040 7.915 -11.776 1.00 0.00 H new ATOM 0 HB3 ALA A 23 15.339 9.403 -11.096 1.00 0.00 H new ATOM 338 N PRO A 24 18.727 11.293 -11.551 1.00 0.00 N ATOM 339 CA PRO A 24 19.076 12.689 -11.514 1.00 0.00 C ATOM 340 C PRO A 24 17.995 13.493 -12.230 1.00 0.00 C ATOM 341 O PRO A 24 17.682 13.236 -13.391 1.00 0.00 O ATOM 342 CB PRO A 24 20.436 12.805 -12.176 1.00 0.00 C ATOM 343 CG PRO A 24 20.594 11.523 -12.986 1.00 0.00 C ATOM 344 CD PRO A 24 19.541 10.559 -12.495 1.00 0.00 C ATOM 0 HA PRO A 24 19.135 13.087 -10.501 1.00 0.00 H new ATOM 0 HB2 PRO A 24 20.489 13.685 -12.817 1.00 0.00 H new ATOM 0 HB3 PRO A 24 21.229 12.903 -11.434 1.00 0.00 H new ATOM 0 HG2 PRO A 24 20.469 11.721 -14.050 1.00 0.00 H new ATOM 0 HG3 PRO A 24 21.592 11.104 -12.855 1.00 0.00 H new ATOM 0 HD2 PRO A 24 18.937 10.188 -13.323 1.00 0.00 H new ATOM 0 HD3 PRO A 24 19.999 9.691 -12.021 1.00 0.00 H new ATOM 352 N LEU A 25 17.412 14.456 -11.517 1.00 0.00 N ATOM 353 CA LEU A 25 16.399 15.356 -12.037 1.00 0.00 C ATOM 354 C LEU A 25 16.938 16.169 -13.205 1.00 0.00 C ATOM 355 O LEU A 25 17.614 17.163 -12.988 1.00 0.00 O ATOM 356 CB LEU A 25 15.876 16.256 -10.898 1.00 0.00 C ATOM 357 CG LEU A 25 14.354 16.336 -10.810 1.00 0.00 C ATOM 358 CD1 LEU A 25 13.718 14.967 -10.924 1.00 0.00 C ATOM 359 CD2 LEU A 25 13.941 17.009 -9.506 1.00 0.00 C ATOM 0 H LEU A 25 17.641 14.631 -10.539 1.00 0.00 H new ATOM 0 HA LEU A 25 15.563 14.773 -12.423 1.00 0.00 H new ATOM 0 HB2 LEU A 25 16.264 15.885 -9.950 1.00 0.00 H new ATOM 0 HB3 LEU A 25 16.274 17.262 -11.033 1.00 0.00 H new ATOM 0 HG LEU A 25 13.999 16.934 -11.649 1.00 0.00 H new ATOM 0 HD11 LEU A 25 12.634 15.063 -10.857 1.00 0.00 H new ATOM 0 HD12 LEU A 25 13.985 14.521 -11.882 1.00 0.00 H new ATOM 0 HD13 LEU A 25 14.077 14.331 -10.115 1.00 0.00 H new ATOM 0 HD21 LEU A 25 12.854 17.062 -9.452 1.00 0.00 H new ATOM 0 HD22 LEU A 25 14.319 16.431 -8.663 1.00 0.00 H new ATOM 0 HD23 LEU A 25 14.355 18.017 -9.469 1.00 0.00 H new ATOM 371 N SER A 26 16.657 15.716 -14.421 1.00 0.00 N ATOM 372 CA SER A 26 17.157 16.325 -15.647 1.00 0.00 C ATOM 373 C SER A 26 16.565 15.647 -16.870 1.00 0.00 C ATOM 374 O SER A 26 16.331 14.444 -16.854 1.00 0.00 O ATOM 375 CB SER A 26 18.667 16.141 -15.792 1.00 0.00 C ATOM 376 OG SER A 26 19.386 17.261 -15.333 1.00 0.00 O ATOM 0 H SER A 26 16.065 14.902 -14.585 1.00 0.00 H new ATOM 0 HA SER A 26 16.884 17.378 -15.584 1.00 0.00 H new ATOM 0 HB2 SER A 26 18.979 15.258 -15.234 1.00 0.00 H new ATOM 0 HB3 SER A 26 18.910 15.959 -16.839 1.00 0.00 H new ATOM 0 HG SER A 26 19.095 18.059 -15.821 1.00 0.00 H new ATOM 382 N ASP A 27 16.387 16.394 -17.956 1.00 0.00 N ATOM 383 CA ASP A 27 15.799 15.887 -19.196 1.00 0.00 C ATOM 384 C ASP A 27 16.899 15.169 -19.984 1.00 0.00 C ATOM 385 O ASP A 27 17.552 15.745 -20.848 1.00 0.00 O ATOM 386 CB ASP A 27 15.197 17.044 -19.993 1.00 0.00 C ATOM 387 CG ASP A 27 15.012 16.715 -21.476 1.00 0.00 C ATOM 388 OD1 ASP A 27 14.742 15.539 -21.783 1.00 0.00 O ATOM 389 OD2 ASP A 27 15.092 17.663 -22.293 1.00 0.00 O ATOM 0 H ASP A 27 16.649 17.379 -18.002 1.00 0.00 H new ATOM 0 HA ASP A 27 14.994 15.183 -18.987 1.00 0.00 H new ATOM 0 HB2 ASP A 27 14.232 17.311 -19.563 1.00 0.00 H new ATOM 0 HB3 ASP A 27 15.842 17.918 -19.898 1.00 0.00 H new ATOM 394 N GLY A 28 17.152 13.911 -19.638 1.00 0.00 N ATOM 395 CA GLY A 28 18.106 13.108 -20.390 1.00 0.00 C ATOM 396 C GLY A 28 19.518 13.630 -20.200 1.00 0.00 C ATOM 397 O GLY A 28 20.064 14.325 -21.051 1.00 0.00 O ATOM 0 H GLY A 28 16.715 13.431 -18.851 1.00 0.00 H new ATOM 0 HA2 GLY A 28 18.051 12.069 -20.064 1.00 0.00 H new ATOM 0 HA3 GLY A 28 17.847 13.124 -21.449 1.00 0.00 H new ATOM 401 N LYS A 29 20.144 13.254 -19.085 1.00 0.00 N ATOM 402 CA LYS A 29 21.518 13.679 -18.752 1.00 0.00 C ATOM 403 C LYS A 29 22.269 12.648 -17.935 1.00 0.00 C ATOM 404 O LYS A 29 22.912 12.937 -16.931 1.00 0.00 O ATOM 405 CB LYS A 29 21.479 15.061 -18.081 1.00 0.00 C ATOM 406 CG LYS A 29 21.676 16.192 -19.105 1.00 0.00 C ATOM 407 CD LYS A 29 22.916 17.033 -18.791 1.00 0.00 C ATOM 408 CE LYS A 29 23.634 17.404 -20.088 1.00 0.00 C ATOM 409 NZ LYS A 29 24.311 18.707 -19.940 1.00 0.00 N ATOM 0 H LYS A 29 19.720 12.647 -18.383 1.00 0.00 H new ATOM 0 HA LYS A 29 22.086 13.764 -19.678 1.00 0.00 H new ATOM 0 HB2 LYS A 29 20.524 15.192 -17.572 1.00 0.00 H new ATOM 0 HB3 LYS A 29 22.257 15.119 -17.320 1.00 0.00 H new ATOM 0 HG2 LYS A 29 21.769 15.766 -20.104 1.00 0.00 H new ATOM 0 HG3 LYS A 29 20.794 16.833 -19.113 1.00 0.00 H new ATOM 0 HD2 LYS A 29 22.627 17.936 -18.254 1.00 0.00 H new ATOM 0 HD3 LYS A 29 23.589 16.476 -18.139 1.00 0.00 H new ATOM 0 HE2 LYS A 29 24.362 16.634 -20.342 1.00 0.00 H new ATOM 0 HE3 LYS A 29 22.918 17.449 -20.909 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 24.796 18.949 -20.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 23.608 19.440 -19.718 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 25.007 18.651 -19.170 1.00 0.00 H new ATOM 423 N THR A 30 22.189 11.417 -18.389 1.00 0.00 N ATOM 424 CA THR A 30 22.760 10.278 -17.677 1.00 0.00 C ATOM 425 C THR A 30 23.510 9.426 -18.671 1.00 0.00 C ATOM 426 O THR A 30 23.164 9.417 -19.852 1.00 0.00 O ATOM 427 CB THR A 30 21.628 9.466 -17.038 1.00 0.00 C ATOM 428 OG1 THR A 30 20.738 9.067 -18.041 1.00 0.00 O ATOM 429 CG2 THR A 30 20.879 10.301 -16.021 1.00 0.00 C ATOM 0 H THR A 30 21.727 11.169 -19.264 1.00 0.00 H new ATOM 0 HA THR A 30 23.439 10.615 -16.894 1.00 0.00 H new ATOM 0 HB THR A 30 22.055 8.599 -16.535 1.00 0.00 H new ATOM 0 HG1 THR A 30 20.569 8.105 -17.965 1.00 0.00 H new ATOM 0 HG21 THR A 30 20.080 9.706 -15.579 1.00 0.00 H new ATOM 0 HG22 THR A 30 21.566 10.624 -15.239 1.00 0.00 H new ATOM 0 HG23 THR A 30 20.451 11.175 -16.512 1.00 0.00 H new ATOM 437 N GLY A 31 24.491 8.675 -18.182 1.00 0.00 N ATOM 438 CA GLY A 31 25.346 7.814 -18.992 1.00 0.00 C ATOM 439 C GLY A 31 24.576 7.062 -20.059 1.00 0.00 C ATOM 440 O GLY A 31 24.837 7.217 -21.249 1.00 0.00 O ATOM 0 H GLY A 31 24.719 8.647 -17.188 1.00 0.00 H new ATOM 0 HA2 GLY A 31 26.119 8.419 -19.466 1.00 0.00 H new ATOM 0 HA3 GLY A 31 25.853 7.099 -18.344 1.00 0.00 H new ATOM 444 N SER A 32 23.634 6.228 -19.628 1.00 0.00 N ATOM 445 CA SER A 32 22.743 5.566 -20.570 1.00 0.00 C ATOM 446 C SER A 32 21.843 6.555 -21.304 1.00 0.00 C ATOM 447 O SER A 32 21.976 6.666 -22.518 1.00 0.00 O ATOM 448 CB SER A 32 21.903 4.497 -19.897 1.00 0.00 C ATOM 449 OG SER A 32 21.208 3.828 -20.941 1.00 0.00 O ATOM 0 H SER A 32 23.470 5.998 -18.648 1.00 0.00 H new ATOM 0 HA SER A 32 23.386 5.084 -21.307 1.00 0.00 H new ATOM 0 HB2 SER A 32 22.530 3.802 -19.339 1.00 0.00 H new ATOM 0 HB3 SER A 32 21.206 4.939 -19.185 1.00 0.00 H new ATOM 0 HG SER A 32 20.457 3.324 -20.564 1.00 0.00 H new ATOM 455 N SER A 33 20.850 7.125 -20.620 1.00 0.00 N ATOM 456 CA SER A 33 19.901 8.093 -21.199 1.00 0.00 C ATOM 457 C SER A 33 18.874 8.569 -20.186 1.00 0.00 C ATOM 458 O SER A 33 18.692 9.765 -20.013 1.00 0.00 O ATOM 459 CB SER A 33 19.135 7.507 -22.403 1.00 0.00 C ATOM 460 OG SER A 33 18.459 6.314 -22.048 1.00 0.00 O ATOM 0 H SER A 33 20.675 6.928 -19.635 1.00 0.00 H new ATOM 0 HA SER A 33 20.515 8.933 -21.523 1.00 0.00 H new ATOM 0 HB2 SER A 33 18.417 8.239 -22.772 1.00 0.00 H new ATOM 0 HB3 SER A 33 19.831 7.305 -23.217 1.00 0.00 H new ATOM 0 HG SER A 33 17.610 6.536 -21.612 1.00 0.00 H new ATOM 466 N TYR A 34 18.184 7.604 -19.592 1.00 0.00 N ATOM 467 CA TYR A 34 17.144 7.817 -18.623 1.00 0.00 C ATOM 468 C TYR A 34 17.701 8.309 -17.278 1.00 0.00 C ATOM 469 O TYR A 34 18.668 7.732 -16.784 1.00 0.00 O ATOM 470 CB TYR A 34 16.410 6.516 -18.366 1.00 0.00 C ATOM 471 CG TYR A 34 15.803 5.887 -19.596 1.00 0.00 C ATOM 472 CD1 TYR A 34 14.491 6.213 -19.988 1.00 0.00 C ATOM 473 CD2 TYR A 34 16.547 4.959 -20.347 1.00 0.00 C ATOM 474 CE1 TYR A 34 13.930 5.585 -21.113 1.00 0.00 C ATOM 475 CE2 TYR A 34 16.001 4.359 -21.497 1.00 0.00 C ATOM 476 CZ TYR A 34 14.670 4.658 -21.870 1.00 0.00 C ATOM 477 OH TYR A 34 14.044 4.050 -22.904 1.00 0.00 O ATOM 0 H TYR A 34 18.348 6.616 -19.787 1.00 0.00 H new ATOM 0 HA TYR A 34 16.478 8.576 -19.033 1.00 0.00 H new ATOM 0 HB2 TYR A 34 17.103 5.806 -17.914 1.00 0.00 H new ATOM 0 HB3 TYR A 34 15.619 6.697 -17.638 1.00 0.00 H new ATOM 0 HD1 TYR A 34 13.920 6.940 -19.429 1.00 0.00 H new ATOM 0 HD2 TYR A 34 17.550 4.704 -20.037 1.00 0.00 H new ATOM 0 HE1 TYR A 34 12.915 5.817 -21.401 1.00 0.00 H new ATOM 0 HE2 TYR A 34 16.593 3.677 -22.089 1.00 0.00 H new ATOM 0 HH TYR A 34 14.665 3.434 -23.346 1.00 0.00 H new ATOM 487 N PRO A 35 16.991 9.215 -16.590 1.00 0.00 N ATOM 488 CA PRO A 35 15.673 9.630 -17.001 1.00 0.00 C ATOM 489 C PRO A 35 15.756 10.637 -18.130 1.00 0.00 C ATOM 490 O PRO A 35 16.768 11.297 -18.304 1.00 0.00 O ATOM 491 CB PRO A 35 15.043 10.208 -15.768 1.00 0.00 C ATOM 492 CG PRO A 35 16.160 10.582 -14.810 1.00 0.00 C ATOM 493 CD PRO A 35 17.384 9.839 -15.335 1.00 0.00 C ATOM 0 HA PRO A 35 15.078 8.805 -17.393 1.00 0.00 H new ATOM 0 HB2 PRO A 35 14.445 11.084 -16.019 1.00 0.00 H new ATOM 0 HB3 PRO A 35 14.370 9.485 -15.307 1.00 0.00 H new ATOM 0 HG2 PRO A 35 16.326 11.659 -14.796 1.00 0.00 H new ATOM 0 HG3 PRO A 35 15.923 10.283 -13.789 1.00 0.00 H new ATOM 0 HD2 PRO A 35 18.216 10.526 -15.489 1.00 0.00 H new ATOM 0 HD3 PRO A 35 17.718 9.089 -14.618 1.00 0.00 H new ATOM 501 N HIS A 36 14.671 10.773 -18.883 1.00 0.00 N ATOM 502 CA HIS A 36 14.606 11.737 -19.982 1.00 0.00 C ATOM 503 C HIS A 36 13.254 12.406 -20.067 1.00 0.00 C ATOM 504 O HIS A 36 12.298 11.859 -19.542 1.00 0.00 O ATOM 505 CB HIS A 36 15.072 11.058 -21.281 1.00 0.00 C ATOM 506 CG HIS A 36 14.250 9.883 -21.752 1.00 0.00 C ATOM 507 ND1 HIS A 36 14.389 9.262 -22.975 1.00 0.00 N ATOM 508 CD2 HIS A 36 13.216 9.278 -21.101 1.00 0.00 C ATOM 509 CE1 HIS A 36 13.436 8.308 -23.071 1.00 0.00 C ATOM 510 NE2 HIS A 36 12.694 8.329 -21.943 1.00 0.00 N ATOM 0 H HIS A 36 13.819 10.227 -18.754 1.00 0.00 H new ATOM 0 HA HIS A 36 15.293 12.562 -19.794 1.00 0.00 H new ATOM 0 HB2 HIS A 36 15.085 11.807 -22.073 1.00 0.00 H new ATOM 0 HB3 HIS A 36 16.100 10.723 -21.143 1.00 0.00 H new ATOM 0 HD1 HIS A 36 15.089 9.484 -23.683 1.00 0.00 H new ATOM 0 HD2 HIS A 36 12.870 9.505 -20.103 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.292 7.641 -23.909 1.00 0.00 H new ATOM 519 N TRP A 37 13.139 13.578 -20.674 1.00 0.00 N ATOM 520 CA TRP A 37 11.805 14.130 -20.881 1.00 0.00 C ATOM 521 C TRP A 37 10.939 13.171 -21.703 1.00 0.00 C ATOM 522 O TRP A 37 11.397 12.448 -22.593 1.00 0.00 O ATOM 523 CB TRP A 37 11.903 15.459 -21.609 1.00 0.00 C ATOM 524 CG TRP A 37 10.660 16.072 -22.116 1.00 0.00 C ATOM 525 CD1 TRP A 37 9.532 16.291 -21.425 1.00 0.00 C ATOM 526 CD2 TRP A 37 10.428 16.575 -23.449 1.00 0.00 C ATOM 527 NE1 TRP A 37 8.592 16.863 -22.236 1.00 0.00 N ATOM 528 CE2 TRP A 37 9.102 17.084 -23.489 1.00 0.00 C ATOM 529 CE3 TRP A 37 11.195 16.622 -24.631 1.00 0.00 C ATOM 530 CZ2 TRP A 37 8.541 17.586 -24.658 1.00 0.00 C ATOM 531 CZ3 TRP A 37 10.654 17.159 -25.809 1.00 0.00 C ATOM 532 CH2 TRP A 37 9.331 17.624 -25.813 1.00 0.00 C ATOM 0 H TRP A 37 13.913 14.145 -21.019 1.00 0.00 H new ATOM 0 HA TRP A 37 11.343 14.275 -19.904 1.00 0.00 H new ATOM 0 HB2 TRP A 37 12.375 16.173 -20.935 1.00 0.00 H new ATOM 0 HB3 TRP A 37 12.577 15.326 -22.455 1.00 0.00 H new ATOM 0 HD1 TRP A 37 9.387 16.051 -20.382 1.00 0.00 H new ATOM 0 HE1 TRP A 37 7.641 17.094 -21.948 1.00 0.00 H new ATOM 0 HE3 TRP A 37 12.206 16.242 -24.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 7.520 17.938 -24.675 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 11.252 17.214 -26.706 1.00 0.00 H new ATOM 0 HH2 TRP A 37 8.913 18.020 -26.727 1.00 0.00 H new ATOM 543 N PHE A 38 9.654 13.257 -21.405 1.00 0.00 N ATOM 544 CA PHE A 38 8.585 12.443 -21.906 1.00 0.00 C ATOM 545 C PHE A 38 7.589 13.404 -22.521 1.00 0.00 C ATOM 546 O PHE A 38 6.616 13.837 -21.900 1.00 0.00 O ATOM 547 CB PHE A 38 7.895 11.666 -20.777 1.00 0.00 C ATOM 548 CG PHE A 38 6.833 10.730 -21.294 1.00 0.00 C ATOM 549 CD1 PHE A 38 6.971 10.067 -22.536 1.00 0.00 C ATOM 550 CD2 PHE A 38 5.677 10.556 -20.522 1.00 0.00 C ATOM 551 CE1 PHE A 38 5.960 9.212 -23.000 1.00 0.00 C ATOM 552 CE2 PHE A 38 4.647 9.731 -20.998 1.00 0.00 C ATOM 553 CZ PHE A 38 4.788 9.067 -22.234 1.00 0.00 C ATOM 0 H PHE A 38 9.314 13.961 -20.750 1.00 0.00 H new ATOM 0 HA PHE A 38 8.965 11.712 -22.620 1.00 0.00 H new ATOM 0 HB2 PHE A 38 8.641 11.096 -20.223 1.00 0.00 H new ATOM 0 HB3 PHE A 38 7.446 12.370 -20.076 1.00 0.00 H new ATOM 0 HD1 PHE A 38 7.860 10.220 -23.130 1.00 0.00 H new ATOM 0 HD2 PHE A 38 5.580 11.053 -19.568 1.00 0.00 H new ATOM 0 HE1 PHE A 38 6.079 8.674 -23.929 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.745 9.604 -20.417 1.00 0.00 H new ATOM 0 HZ PHE A 38 3.987 8.440 -22.597 1.00 0.00 H new ATOM 563 N THR A 39 7.868 13.761 -23.769 1.00 0.00 N ATOM 564 CA THR A 39 6.967 14.535 -24.623 1.00 0.00 C ATOM 565 C THR A 39 5.523 14.145 -24.376 1.00 0.00 C ATOM 566 O THR A 39 4.693 15.025 -24.288 1.00 0.00 O ATOM 567 CB THR A 39 7.313 14.346 -26.110 1.00 0.00 C ATOM 568 OG1 THR A 39 7.189 12.985 -26.402 1.00 0.00 O ATOM 569 CG2 THR A 39 8.766 14.681 -26.428 1.00 0.00 C ATOM 0 H THR A 39 8.745 13.516 -24.228 1.00 0.00 H new ATOM 0 HA THR A 39 7.096 15.587 -24.369 1.00 0.00 H new ATOM 0 HB THR A 39 6.651 14.999 -26.678 1.00 0.00 H new ATOM 0 HG1 THR A 39 7.402 12.832 -27.346 1.00 0.00 H new ATOM 0 HG21 THR A 39 8.950 14.529 -27.491 1.00 0.00 H new ATOM 0 HG22 THR A 39 8.964 15.722 -26.171 1.00 0.00 H new ATOM 0 HG23 THR A 39 9.424 14.033 -25.849 1.00 0.00 H new ATOM 577 N ASN A 40 5.226 12.849 -24.228 1.00 0.00 N ATOM 578 CA ASN A 40 3.866 12.349 -23.986 1.00 0.00 C ATOM 579 C ASN A 40 2.899 12.801 -25.110 1.00 0.00 C ATOM 580 O ASN A 40 1.691 12.910 -24.933 1.00 0.00 O ATOM 581 CB ASN A 40 3.440 12.770 -22.560 1.00 0.00 C ATOM 582 CG ASN A 40 2.105 12.222 -22.113 1.00 0.00 C ATOM 583 OD1 ASN A 40 1.631 11.195 -22.550 1.00 0.00 O ATOM 584 ND2 ASN A 40 1.459 12.894 -21.195 1.00 0.00 N ATOM 0 H ASN A 40 5.928 12.111 -24.273 1.00 0.00 H new ATOM 0 HA ASN A 40 3.834 11.260 -24.025 1.00 0.00 H new ATOM 0 HB2 ASN A 40 4.205 12.444 -21.856 1.00 0.00 H new ATOM 0 HB3 ASN A 40 3.405 13.858 -22.512 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.561 12.553 -20.850 1.00 0.00 H new ATOM 0 HD22 ASN A 40 1.853 13.759 -20.824 1.00 0.00 H new ATOM 591 N GLY A 41 3.461 13.169 -26.264 1.00 0.00 N ATOM 592 CA GLY A 41 2.723 13.778 -27.359 1.00 0.00 C ATOM 593 C GLY A 41 3.002 15.266 -27.528 1.00 0.00 C ATOM 594 O GLY A 41 2.887 15.741 -28.648 1.00 0.00 O ATOM 0 H GLY A 41 4.455 13.048 -26.461 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.973 13.262 -28.286 1.00 0.00 H new ATOM 0 HA3 GLY A 41 1.656 13.633 -27.192 1.00 0.00 H new ATOM 598 N TYR A 42 3.262 16.008 -26.438 1.00 0.00 N ATOM 599 CA TYR A 42 3.595 17.439 -26.444 1.00 0.00 C ATOM 600 C TYR A 42 4.752 17.735 -27.390 1.00 0.00 C ATOM 601 O TYR A 42 5.585 16.875 -27.654 1.00 0.00 O ATOM 602 CB TYR A 42 3.928 17.936 -25.029 1.00 0.00 C ATOM 603 CG TYR A 42 2.727 18.010 -24.106 1.00 0.00 C ATOM 604 CD1 TYR A 42 1.964 19.182 -24.117 1.00 0.00 C ATOM 605 CD2 TYR A 42 2.373 16.962 -23.229 1.00 0.00 C ATOM 606 CE1 TYR A 42 0.837 19.314 -23.275 1.00 0.00 C ATOM 607 CE2 TYR A 42 1.255 17.087 -22.377 1.00 0.00 C ATOM 608 CZ TYR A 42 0.475 18.266 -22.402 1.00 0.00 C ATOM 609 OH TYR A 42 -0.560 18.408 -21.549 1.00 0.00 O ATOM 0 H TYR A 42 3.245 15.613 -25.498 1.00 0.00 H new ATOM 0 HA TYR A 42 2.715 17.974 -26.801 1.00 0.00 H new ATOM 0 HB2 TYR A 42 4.673 17.274 -24.588 1.00 0.00 H new ATOM 0 HB3 TYR A 42 4.382 18.925 -25.099 1.00 0.00 H new ATOM 0 HD1 TYR A 42 2.239 19.993 -24.775 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.963 16.057 -23.210 1.00 0.00 H new ATOM 0 HE1 TYR A 42 0.250 20.220 -23.300 1.00 0.00 H new ATOM 0 HE2 TYR A 42 0.995 16.282 -21.706 1.00 0.00 H new ATOM 0 HH TYR A 42 -0.667 17.587 -21.025 1.00 0.00 H new ATOM 619 N ASP A 43 4.836 18.985 -27.840 1.00 0.00 N ATOM 620 CA ASP A 43 5.958 19.384 -28.704 1.00 0.00 C ATOM 621 C ASP A 43 7.236 19.637 -27.905 1.00 0.00 C ATOM 622 O ASP A 43 8.348 19.435 -28.387 1.00 0.00 O ATOM 623 CB ASP A 43 5.589 20.660 -29.467 1.00 0.00 C ATOM 624 CG ASP A 43 5.372 20.473 -30.976 1.00 0.00 C ATOM 625 OD1 ASP A 43 5.594 19.357 -31.501 1.00 0.00 O ATOM 626 OD2 ASP A 43 4.907 21.460 -31.575 1.00 0.00 O ATOM 0 H ASP A 43 4.165 19.724 -27.632 1.00 0.00 H new ATOM 0 HA ASP A 43 6.147 18.563 -29.395 1.00 0.00 H new ATOM 0 HB2 ASP A 43 4.679 21.075 -29.033 1.00 0.00 H new ATOM 0 HB3 ASP A 43 6.378 21.396 -29.317 1.00 0.00 H new ATOM 631 N GLY A 44 7.054 20.098 -26.668 1.00 0.00 N ATOM 632 CA GLY A 44 8.141 20.509 -25.789 1.00 0.00 C ATOM 633 C GLY A 44 8.152 21.976 -25.441 1.00 0.00 C ATOM 634 O GLY A 44 9.237 22.491 -25.222 1.00 0.00 O ATOM 0 H GLY A 44 6.131 20.197 -26.245 1.00 0.00 H new ATOM 0 HA2 GLY A 44 8.082 19.932 -24.866 1.00 0.00 H new ATOM 0 HA3 GLY A 44 9.089 20.255 -26.263 1.00 0.00 H new ATOM 638 N ASP A 45 6.970 22.592 -25.308 1.00 0.00 N ATOM 639 CA ASP A 45 6.806 24.016 -24.996 1.00 0.00 C ATOM 640 C ASP A 45 5.551 24.285 -24.160 1.00 0.00 C ATOM 641 O ASP A 45 5.624 24.742 -23.025 1.00 0.00 O ATOM 642 CB ASP A 45 6.705 24.824 -26.307 1.00 0.00 C ATOM 643 CG ASP A 45 7.736 25.949 -26.353 1.00 0.00 C ATOM 644 OD1 ASP A 45 7.411 27.003 -25.767 1.00 0.00 O ATOM 645 OD2 ASP A 45 8.812 25.740 -26.956 1.00 0.00 O ATOM 0 H ASP A 45 6.082 22.102 -25.417 1.00 0.00 H new ATOM 0 HA ASP A 45 7.676 24.322 -24.415 1.00 0.00 H new ATOM 0 HB2 ASP A 45 6.853 24.159 -27.158 1.00 0.00 H new ATOM 0 HB3 ASP A 45 5.703 25.243 -26.401 1.00 0.00 H new ATOM 650 N GLY A 46 4.383 24.025 -24.749 1.00 0.00 N ATOM 651 CA GLY A 46 3.094 24.230 -24.108 1.00 0.00 C ATOM 652 C GLY A 46 2.192 23.050 -24.353 1.00 0.00 C ATOM 653 O GLY A 46 2.298 22.041 -23.677 1.00 0.00 O ATOM 0 H GLY A 46 4.310 23.661 -25.699 1.00 0.00 H new ATOM 0 HA2 GLY A 46 3.232 24.374 -23.036 1.00 0.00 H new ATOM 0 HA3 GLY A 46 2.629 25.137 -24.494 1.00 0.00 H new ATOM 657 N LYS A 47 1.270 23.186 -25.302 1.00 0.00 N ATOM 658 CA LYS A 47 0.352 22.105 -25.670 1.00 0.00 C ATOM 659 C LYS A 47 1.019 21.185 -26.688 1.00 0.00 C ATOM 660 O LYS A 47 2.212 21.293 -26.962 1.00 0.00 O ATOM 661 CB LYS A 47 -0.978 22.675 -26.157 1.00 0.00 C ATOM 662 CG LYS A 47 -1.537 23.761 -25.202 1.00 0.00 C ATOM 663 CD LYS A 47 -1.862 25.060 -25.957 1.00 0.00 C ATOM 664 CE LYS A 47 -0.820 26.149 -25.663 1.00 0.00 C ATOM 665 NZ LYS A 47 -0.778 27.162 -26.747 1.00 0.00 N ATOM 0 H LYS A 47 1.136 24.044 -25.837 1.00 0.00 H new ATOM 0 HA LYS A 47 0.122 21.499 -24.794 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -0.846 23.102 -27.151 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -1.704 21.868 -26.251 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.437 23.388 -24.712 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -0.809 23.967 -24.417 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.893 24.863 -27.029 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -2.852 25.413 -25.669 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -1.056 26.636 -24.717 1.00 0.00 H new ATOM 0 HE3 LYS A 47 0.164 25.693 -25.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -0.065 27.884 -26.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -0.529 26.700 -27.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -1.711 27.613 -26.837 1.00 0.00 H new ATOM 679 N LEU A 48 0.251 20.237 -27.185 1.00 0.00 N ATOM 680 CA LEU A 48 0.755 19.275 -28.139 1.00 0.00 C ATOM 681 C LEU A 48 0.315 19.647 -29.561 1.00 0.00 C ATOM 682 O LEU A 48 -0.577 20.490 -29.713 1.00 0.00 O ATOM 683 CB LEU A 48 0.285 17.880 -27.735 1.00 0.00 C ATOM 684 CG LEU A 48 -0.125 17.604 -26.276 1.00 0.00 C ATOM 685 CD1 LEU A 48 -1.545 18.111 -25.984 1.00 0.00 C ATOM 686 CD2 LEU A 48 0.036 16.145 -25.850 1.00 0.00 C ATOM 0 H LEU A 48 -0.732 20.113 -26.941 1.00 0.00 H new ATOM 0 HA LEU A 48 1.845 19.282 -28.136 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.568 17.629 -28.366 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.084 17.182 -27.986 1.00 0.00 H new ATOM 0 HG LEU A 48 0.579 18.171 -25.667 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -1.801 17.899 -24.946 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.590 19.186 -26.157 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -2.254 17.608 -26.642 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -0.273 16.033 -24.811 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -0.584 15.510 -26.483 1.00 0.00 H new ATOM 0 HD23 LEU A 48 1.080 15.849 -25.952 1.00 0.00 H new ATOM 698 N PRO A 49 0.880 18.995 -30.588 1.00 0.00 N ATOM 699 CA PRO A 49 0.537 19.251 -31.965 1.00 0.00 C ATOM 700 C PRO A 49 -0.868 18.731 -32.320 1.00 0.00 C ATOM 701 O PRO A 49 -1.619 18.164 -31.517 1.00 0.00 O ATOM 702 CB PRO A 49 1.664 18.623 -32.787 1.00 0.00 C ATOM 703 CG PRO A 49 2.353 17.599 -31.879 1.00 0.00 C ATOM 704 CD PRO A 49 1.861 17.921 -30.484 1.00 0.00 C ATOM 0 HA PRO A 49 0.466 20.317 -32.180 1.00 0.00 H new ATOM 0 HB2 PRO A 49 1.269 18.143 -33.682 1.00 0.00 H new ATOM 0 HB3 PRO A 49 2.371 19.383 -33.119 1.00 0.00 H new ATOM 0 HG2 PRO A 49 2.092 16.580 -32.164 1.00 0.00 H new ATOM 0 HG3 PRO A 49 3.438 17.681 -31.944 1.00 0.00 H new ATOM 0 HD2 PRO A 49 1.413 17.039 -30.025 1.00 0.00 H new ATOM 0 HD3 PRO A 49 2.692 18.225 -29.848 1.00 0.00 H new ATOM 712 N LYS A 50 -1.255 18.911 -33.576 1.00 0.00 N ATOM 713 CA LYS A 50 -2.504 18.364 -34.083 1.00 0.00 C ATOM 714 C LYS A 50 -2.321 16.891 -34.445 1.00 0.00 C ATOM 715 O LYS A 50 -1.759 16.578 -35.485 1.00 0.00 O ATOM 716 CB LYS A 50 -2.987 19.237 -35.227 1.00 0.00 C ATOM 717 CG LYS A 50 -4.174 18.609 -35.983 1.00 0.00 C ATOM 718 CD LYS A 50 -3.736 18.114 -37.374 1.00 0.00 C ATOM 719 CE LYS A 50 -4.951 17.892 -38.265 1.00 0.00 C ATOM 720 NZ LYS A 50 -4.954 18.865 -39.381 1.00 0.00 N ATOM 0 H LYS A 50 -0.717 19.436 -34.266 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.285 18.379 -33.323 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -3.282 20.211 -34.838 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -2.165 19.407 -35.923 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -4.579 17.777 -35.407 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.973 19.343 -36.088 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.069 18.843 -37.833 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -3.174 17.185 -37.276 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -4.941 16.876 -38.659 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -5.864 17.997 -37.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -5.788 18.703 -39.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.986 19.832 -38.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.091 18.745 -39.948 1.00 0.00 H new ATOM 734 N GLY A 51 -2.829 16.003 -33.595 1.00 0.00 N ATOM 735 CA GLY A 51 -2.780 14.553 -33.825 1.00 0.00 C ATOM 736 C GLY A 51 -1.913 13.859 -32.795 1.00 0.00 C ATOM 737 O GLY A 51 -0.807 13.431 -33.087 1.00 0.00 O ATOM 0 H GLY A 51 -3.289 16.265 -32.723 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -3.789 14.143 -33.789 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.391 14.354 -34.824 1.00 0.00 H new ATOM 741 N ARG A 52 -2.405 13.792 -31.563 1.00 0.00 N ATOM 742 CA ARG A 52 -1.723 13.138 -30.442 1.00 0.00 C ATOM 743 C ARG A 52 -2.720 12.849 -29.338 1.00 0.00 C ATOM 744 O ARG A 52 -3.824 13.395 -29.353 1.00 0.00 O ATOM 745 CB ARG A 52 -0.575 14.034 -29.940 1.00 0.00 C ATOM 746 CG ARG A 52 -0.985 14.975 -28.810 1.00 0.00 C ATOM 747 CD ARG A 52 -2.129 15.938 -29.221 1.00 0.00 C ATOM 748 NE ARG A 52 -2.924 16.403 -28.072 1.00 0.00 N ATOM 749 CZ ARG A 52 -3.963 17.216 -28.120 1.00 0.00 C ATOM 750 NH1 ARG A 52 -4.399 17.682 -29.248 1.00 0.00 N ATOM 751 NH2 ARG A 52 -4.530 17.635 -27.028 1.00 0.00 N ATOM 0 H ARG A 52 -3.305 14.197 -31.306 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.295 12.191 -30.770 1.00 0.00 H new ATOM 0 HB2 ARG A 52 0.244 13.402 -29.597 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -0.195 14.624 -30.774 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.302 14.386 -27.949 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -0.119 15.558 -28.496 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -1.705 16.800 -29.736 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -2.785 15.434 -29.931 1.00 0.00 H new ATOM 0 HE ARG A 52 -2.645 16.065 -27.151 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.938 17.422 -30.120 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -5.203 18.309 -29.264 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -4.173 17.336 -26.121 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -5.332 18.263 -27.078 1.00 0.00 H new ATOM 765 N THR A 53 -2.314 12.070 -28.351 1.00 0.00 N ATOM 766 CA THR A 53 -3.135 11.822 -27.163 1.00 0.00 C ATOM 767 C THR A 53 -2.225 11.439 -25.989 1.00 0.00 C ATOM 768 O THR A 53 -1.615 10.372 -26.025 1.00 0.00 O ATOM 769 CB THR A 53 -4.188 10.766 -27.501 1.00 0.00 C ATOM 770 OG1 THR A 53 -5.254 11.392 -28.177 1.00 0.00 O ATOM 771 CG2 THR A 53 -4.828 10.118 -26.291 1.00 0.00 C ATOM 0 H THR A 53 -1.413 11.591 -28.343 1.00 0.00 H new ATOM 0 HA THR A 53 -3.675 12.717 -26.854 1.00 0.00 H new ATOM 0 HB THR A 53 -3.662 10.008 -28.081 1.00 0.00 H new ATOM 0 HG1 THR A 53 -4.939 12.227 -28.581 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.562 9.382 -26.618 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.061 9.625 -25.694 1.00 0.00 H new ATOM 0 HG23 THR A 53 -5.322 10.880 -25.689 1.00 0.00 H new ATOM 779 N PRO A 54 -2.049 12.332 -24.993 1.00 0.00 N ATOM 780 CA PRO A 54 -1.264 12.046 -23.815 1.00 0.00 C ATOM 781 C PRO A 54 -1.980 11.054 -22.900 1.00 0.00 C ATOM 782 O PRO A 54 -3.151 10.711 -23.076 1.00 0.00 O ATOM 783 CB PRO A 54 -1.036 13.392 -23.129 1.00 0.00 C ATOM 784 CG PRO A 54 -2.108 14.340 -23.657 1.00 0.00 C ATOM 785 CD PRO A 54 -2.681 13.638 -24.882 1.00 0.00 C ATOM 0 HA PRO A 54 -0.315 11.574 -24.070 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -1.108 13.291 -22.046 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -0.039 13.774 -23.348 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -2.879 14.521 -22.908 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -1.684 15.309 -23.919 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.762 13.531 -24.788 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.496 14.228 -25.780 1.00 0.00 H new ATOM 793 N ILE A 55 -1.273 10.620 -21.869 1.00 0.00 N ATOM 794 CA ILE A 55 -1.810 9.670 -20.912 1.00 0.00 C ATOM 795 C ILE A 55 -2.574 10.465 -19.857 1.00 0.00 C ATOM 796 O ILE A 55 -2.108 11.490 -19.375 1.00 0.00 O ATOM 797 CB ILE A 55 -0.689 8.791 -20.349 1.00 0.00 C ATOM 798 CG1 ILE A 55 0.261 8.311 -21.471 1.00 0.00 C ATOM 799 CG2 ILE A 55 -1.307 7.583 -19.639 1.00 0.00 C ATOM 800 CD1 ILE A 55 1.279 7.282 -21.015 1.00 0.00 C ATOM 0 H ILE A 55 -0.316 10.915 -21.674 1.00 0.00 H new ATOM 0 HA ILE A 55 -2.507 8.972 -21.375 1.00 0.00 H new ATOM 0 HB ILE A 55 -0.104 9.380 -19.643 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -0.333 7.886 -22.280 1.00 0.00 H new ATOM 0 HG13 ILE A 55 0.788 9.173 -21.881 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -0.514 6.953 -19.236 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -1.946 7.927 -18.826 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.901 7.008 -20.349 1.00 0.00 H new ATOM 0 HD11 ILE A 55 1.908 6.995 -21.857 1.00 0.00 H new ATOM 0 HD12 ILE A 55 1.900 7.709 -20.227 1.00 0.00 H new ATOM 0 HD13 ILE A 55 0.761 6.402 -20.633 1.00 0.00 H new ATOM 812 N LYS A 56 -3.787 10.031 -19.527 1.00 0.00 N ATOM 813 CA LYS A 56 -4.557 10.668 -18.459 1.00 0.00 C ATOM 814 C LYS A 56 -4.156 10.081 -17.110 1.00 0.00 C ATOM 815 O LYS A 56 -3.894 8.890 -16.995 1.00 0.00 O ATOM 816 CB LYS A 56 -6.043 10.500 -18.768 1.00 0.00 C ATOM 817 CG LYS A 56 -6.937 11.059 -17.648 1.00 0.00 C ATOM 818 CD LYS A 56 -7.288 9.973 -16.608 1.00 0.00 C ATOM 819 CE LYS A 56 -8.780 9.666 -16.661 1.00 0.00 C ATOM 820 NZ LYS A 56 -9.110 8.488 -15.827 1.00 0.00 N ATOM 0 H LYS A 56 -4.257 9.247 -19.979 1.00 0.00 H new ATOM 0 HA LYS A 56 -4.346 11.736 -18.404 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -6.277 11.007 -19.704 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -6.265 9.443 -18.914 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.428 11.886 -17.154 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -7.854 11.461 -18.079 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -6.714 9.068 -16.807 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -7.013 10.311 -15.609 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -9.345 10.531 -16.314 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -9.080 9.481 -17.692 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -10.131 8.300 -15.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -8.587 7.659 -16.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -8.844 8.676 -14.839 1.00 0.00 H new ATOM 834 N PHE A 57 -4.242 10.900 -16.067 1.00 0.00 N ATOM 835 CA PHE A 57 -3.898 10.533 -14.688 1.00 0.00 C ATOM 836 C PHE A 57 -4.991 10.976 -13.719 1.00 0.00 C ATOM 837 O PHE A 57 -5.467 10.193 -12.903 1.00 0.00 O ATOM 838 CB PHE A 57 -2.551 11.174 -14.334 1.00 0.00 C ATOM 839 CG PHE A 57 -1.500 11.023 -15.408 1.00 0.00 C ATOM 840 CD1 PHE A 57 -0.753 9.834 -15.502 1.00 0.00 C ATOM 841 CD2 PHE A 57 -1.297 12.066 -16.337 1.00 0.00 C ATOM 842 CE1 PHE A 57 0.247 9.712 -16.490 1.00 0.00 C ATOM 843 CE2 PHE A 57 -0.305 11.932 -17.325 1.00 0.00 C ATOM 844 CZ PHE A 57 0.463 10.758 -17.402 1.00 0.00 C ATOM 0 H PHE A 57 -4.561 11.865 -16.155 1.00 0.00 H new ATOM 0 HA PHE A 57 -3.817 9.449 -14.605 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.705 12.235 -14.137 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -2.180 10.729 -13.411 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.944 9.018 -14.821 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.899 12.961 -16.290 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.846 8.815 -16.545 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -0.133 12.734 -18.027 1.00 0.00 H new ATOM 0 HZ PHE A 57 1.221 10.660 -18.165 1.00 0.00 H new ATOM 854 N GLY A 58 -5.396 12.241 -13.835 1.00 0.00 N ATOM 855 CA GLY A 58 -6.347 12.903 -12.942 1.00 0.00 C ATOM 856 C GLY A 58 -5.709 13.991 -12.082 1.00 0.00 C ATOM 857 O GLY A 58 -6.399 14.617 -11.292 1.00 0.00 O ATOM 0 H GLY A 58 -5.060 12.853 -14.578 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -7.148 13.342 -13.536 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.805 12.157 -12.292 1.00 0.00 H new ATOM 861 N LYS A 59 -4.391 14.178 -12.172 1.00 0.00 N ATOM 862 CA LYS A 59 -3.685 15.246 -11.459 1.00 0.00 C ATOM 863 C LYS A 59 -3.556 16.447 -12.346 1.00 0.00 C ATOM 864 O LYS A 59 -3.041 16.291 -13.442 1.00 0.00 O ATOM 865 CB LYS A 59 -2.293 14.754 -11.036 1.00 0.00 C ATOM 866 CG LYS A 59 -2.451 13.976 -9.724 1.00 0.00 C ATOM 867 CD LYS A 59 -2.514 12.454 -9.935 1.00 0.00 C ATOM 868 CE LYS A 59 -3.795 11.857 -9.350 1.00 0.00 C ATOM 869 NZ LYS A 59 -3.700 11.737 -7.876 1.00 0.00 N ATOM 0 H LYS A 59 -3.781 13.592 -12.742 1.00 0.00 H new ATOM 0 HA LYS A 59 -4.251 15.521 -10.569 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -1.862 14.117 -11.808 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -1.614 15.596 -10.902 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -1.616 14.212 -9.065 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.359 14.306 -9.219 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -2.462 12.231 -11.001 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -1.647 11.985 -9.469 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -4.646 12.485 -9.613 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.976 10.875 -9.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -4.581 11.330 -7.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -2.901 11.119 -7.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -3.551 12.678 -7.460 1.00 0.00 H new ATOM 883 N SER A 60 -3.955 17.614 -11.833 1.00 0.00 N ATOM 884 CA SER A 60 -3.829 18.890 -12.550 1.00 0.00 C ATOM 885 C SER A 60 -2.367 19.255 -12.861 1.00 0.00 C ATOM 886 O SER A 60 -2.096 20.189 -13.600 1.00 0.00 O ATOM 887 CB SER A 60 -4.493 20.031 -11.772 1.00 0.00 C ATOM 888 OG SER A 60 -3.688 20.532 -10.716 1.00 0.00 O ATOM 0 H SER A 60 -4.375 17.703 -10.908 1.00 0.00 H new ATOM 0 HA SER A 60 -4.345 18.754 -13.500 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.725 20.844 -12.460 1.00 0.00 H new ATOM 0 HB3 SER A 60 -5.440 19.680 -11.363 1.00 0.00 H new ATOM 0 HG SER A 60 -4.163 21.257 -10.259 1.00 0.00 H new ATOM 894 N ASP A 61 -1.408 18.529 -12.280 1.00 0.00 N ATOM 895 CA ASP A 61 0.028 18.704 -12.454 1.00 0.00 C ATOM 896 C ASP A 61 0.521 17.899 -13.639 1.00 0.00 C ATOM 897 O ASP A 61 1.116 18.469 -14.546 1.00 0.00 O ATOM 898 CB ASP A 61 0.810 18.255 -11.215 1.00 0.00 C ATOM 899 CG ASP A 61 0.052 18.494 -9.915 1.00 0.00 C ATOM 900 OD1 ASP A 61 -0.789 17.629 -9.581 1.00 0.00 O ATOM 901 OD2 ASP A 61 0.275 19.579 -9.330 1.00 0.00 O ATOM 0 H ASP A 61 -1.629 17.764 -11.643 1.00 0.00 H new ATOM 0 HA ASP A 61 0.197 19.768 -12.618 1.00 0.00 H new ATOM 0 HB2 ASP A 61 1.043 17.194 -11.304 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.760 18.788 -11.179 1.00 0.00 H new ATOM 906 N CYS A 62 0.226 16.597 -13.635 1.00 0.00 N ATOM 907 CA CYS A 62 0.525 15.694 -14.739 1.00 0.00 C ATOM 908 C CYS A 62 -0.396 15.900 -15.953 1.00 0.00 C ATOM 909 O CYS A 62 -0.104 15.417 -17.039 1.00 0.00 O ATOM 910 CB CYS A 62 0.447 14.256 -14.219 1.00 0.00 C ATOM 911 SG CYS A 62 1.505 13.163 -15.164 1.00 0.00 S ATOM 0 H CYS A 62 -0.235 16.137 -12.850 1.00 0.00 H new ATOM 0 HA CYS A 62 1.530 15.912 -15.101 1.00 0.00 H new ATOM 0 HB2 CYS A 62 0.739 14.230 -13.169 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -0.583 13.904 -14.272 1.00 0.00 H new ATOM 916 N ASP A 63 -1.505 16.610 -15.753 1.00 0.00 N ATOM 917 CA ASP A 63 -2.443 17.035 -16.800 1.00 0.00 C ATOM 918 C ASP A 63 -1.965 18.333 -17.442 1.00 0.00 C ATOM 919 O ASP A 63 -2.016 18.492 -18.662 1.00 0.00 O ATOM 920 CB ASP A 63 -3.835 17.237 -16.183 1.00 0.00 C ATOM 921 CG ASP A 63 -4.909 17.844 -17.092 1.00 0.00 C ATOM 922 OD1 ASP A 63 -4.855 17.638 -18.326 1.00 0.00 O ATOM 923 OD2 ASP A 63 -5.817 18.456 -16.504 1.00 0.00 O ATOM 0 H ASP A 63 -1.789 16.919 -14.823 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.494 16.265 -17.570 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -4.194 16.270 -15.830 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -3.729 17.877 -15.307 1.00 0.00 H new ATOM 928 N ARG A 64 -1.451 19.266 -16.627 1.00 0.00 N ATOM 929 CA ARG A 64 -0.996 20.546 -17.147 1.00 0.00 C ATOM 930 C ARG A 64 -0.005 20.364 -18.310 1.00 0.00 C ATOM 931 O ARG A 64 0.776 19.413 -18.375 1.00 0.00 O ATOM 932 CB ARG A 64 -0.401 21.397 -16.024 1.00 0.00 C ATOM 933 CG ARG A 64 1.104 21.666 -16.161 1.00 0.00 C ATOM 934 CD ARG A 64 1.671 22.538 -15.077 1.00 0.00 C ATOM 935 NE ARG A 64 1.187 22.169 -13.754 1.00 0.00 N ATOM 936 CZ ARG A 64 1.053 22.967 -12.727 1.00 0.00 C ATOM 937 NH1 ARG A 64 1.434 24.208 -12.810 1.00 0.00 N ATOM 938 NH2 ARG A 64 0.534 22.536 -11.625 1.00 0.00 N ATOM 0 H ARG A 64 -1.344 19.153 -15.619 1.00 0.00 H new ATOM 0 HA ARG A 64 -1.859 21.076 -17.550 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -0.927 22.351 -15.990 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -0.583 20.899 -15.072 1.00 0.00 H new ATOM 0 HG2 ARG A 64 1.634 20.714 -16.161 1.00 0.00 H new ATOM 0 HG3 ARG A 64 1.292 22.136 -17.126 1.00 0.00 H new ATOM 0 HD2 ARG A 64 2.759 22.472 -15.094 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.412 23.577 -15.278 1.00 0.00 H new ATOM 0 HE ARG A 64 0.927 21.193 -13.615 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.838 24.560 -13.678 1.00 0.00 H new ATOM 0 HH12 ARG A 64 1.328 24.829 -12.007 1.00 0.00 H new ATOM 0 HH21 ARG A 64 0.225 21.567 -11.552 1.00 0.00 H new ATOM 0 HH22 ARG A 64 0.433 23.165 -10.829 1.00 0.00 H new ATOM 952 N PRO A 65 0.095 21.371 -19.180 1.00 0.00 N ATOM 953 CA PRO A 65 1.073 21.326 -20.235 1.00 0.00 C ATOM 954 C PRO A 65 2.521 21.451 -19.703 1.00 0.00 C ATOM 955 O PRO A 65 2.785 22.299 -18.845 1.00 0.00 O ATOM 956 CB PRO A 65 0.667 22.450 -21.160 1.00 0.00 C ATOM 957 CG PRO A 65 -0.243 23.392 -20.363 1.00 0.00 C ATOM 958 CD PRO A 65 -0.628 22.626 -19.115 1.00 0.00 C ATOM 0 HA PRO A 65 1.087 20.368 -20.755 1.00 0.00 H new ATOM 0 HB2 PRO A 65 1.545 22.983 -21.526 1.00 0.00 H new ATOM 0 HB3 PRO A 65 0.145 22.059 -22.033 1.00 0.00 H new ATOM 0 HG2 PRO A 65 0.275 24.317 -20.111 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -1.125 23.668 -20.941 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -0.362 23.184 -18.217 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -1.704 22.455 -19.078 1.00 0.00 H new ATOM 966 N PRO A 66 3.485 20.668 -20.217 1.00 0.00 N ATOM 967 CA PRO A 66 4.884 20.786 -19.888 1.00 0.00 C ATOM 968 C PRO A 66 5.446 22.108 -20.392 1.00 0.00 C ATOM 969 O PRO A 66 4.782 22.856 -21.100 1.00 0.00 O ATOM 970 CB PRO A 66 5.554 19.580 -20.540 1.00 0.00 C ATOM 971 CG PRO A 66 4.614 19.093 -21.642 1.00 0.00 C ATOM 972 CD PRO A 66 3.309 19.796 -21.346 1.00 0.00 C ATOM 0 HA PRO A 66 5.061 20.790 -18.812 1.00 0.00 H new ATOM 0 HB2 PRO A 66 6.525 19.854 -20.953 1.00 0.00 H new ATOM 0 HB3 PRO A 66 5.730 18.793 -19.807 1.00 0.00 H new ATOM 0 HG2 PRO A 66 4.991 19.351 -22.631 1.00 0.00 H new ATOM 0 HG3 PRO A 66 4.498 18.009 -21.618 1.00 0.00 H new ATOM 0 HD2 PRO A 66 2.986 20.368 -22.215 1.00 0.00 H new ATOM 0 HD3 PRO A 66 2.528 19.065 -21.137 1.00 0.00 H new ATOM 980 N LYS A 67 6.688 22.396 -20.005 1.00 0.00 N ATOM 981 CA LYS A 67 7.406 23.599 -20.441 1.00 0.00 C ATOM 982 C LYS A 67 8.852 23.257 -20.698 1.00 0.00 C ATOM 983 O LYS A 67 9.691 23.738 -19.975 1.00 0.00 O ATOM 984 CB LYS A 67 7.219 24.714 -19.390 1.00 0.00 C ATOM 985 CG LYS A 67 6.004 25.586 -19.750 1.00 0.00 C ATOM 986 CD LYS A 67 6.439 27.021 -20.038 1.00 0.00 C ATOM 987 CE LYS A 67 5.199 27.906 -20.190 1.00 0.00 C ATOM 988 NZ LYS A 67 5.402 29.218 -19.528 1.00 0.00 N ATOM 0 H LYS A 67 7.229 21.801 -19.378 1.00 0.00 H new ATOM 0 HA LYS A 67 7.001 23.976 -21.380 1.00 0.00 H new ATOM 0 HB2 LYS A 67 7.080 24.273 -18.403 1.00 0.00 H new ATOM 0 HB3 LYS A 67 8.116 25.331 -19.340 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.498 25.172 -20.622 1.00 0.00 H new ATOM 0 HG3 LYS A 67 5.286 25.575 -18.930 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.067 27.392 -19.228 1.00 0.00 H new ATOM 0 HD3 LYS A 67 7.038 27.056 -20.948 1.00 0.00 H new ATOM 0 HE2 LYS A 67 4.982 28.057 -21.248 1.00 0.00 H new ATOM 0 HE3 LYS A 67 4.334 27.405 -19.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 4.549 29.801 -19.644 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 5.586 29.071 -18.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.214 29.703 -19.960 1.00 0.00 H new ATOM 1002 N HIS A 68 9.129 22.386 -21.663 1.00 0.00 N ATOM 1003 CA HIS A 68 10.521 22.047 -21.992 1.00 0.00 C ATOM 1004 C HIS A 68 11.189 23.206 -22.761 1.00 0.00 C ATOM 1005 O HIS A 68 10.516 24.089 -23.280 1.00 0.00 O ATOM 1006 CB HIS A 68 10.503 20.699 -22.737 1.00 0.00 C ATOM 1007 CG HIS A 68 11.801 20.288 -23.340 1.00 0.00 C ATOM 1008 ND1 HIS A 68 12.196 20.564 -24.636 1.00 0.00 N ATOM 1009 CD2 HIS A 68 12.802 19.617 -22.708 1.00 0.00 C ATOM 1010 CE1 HIS A 68 13.434 20.048 -24.788 1.00 0.00 C ATOM 1011 NE2 HIS A 68 13.805 19.479 -23.622 1.00 0.00 N ATOM 0 H HIS A 68 8.427 21.906 -22.226 1.00 0.00 H new ATOM 0 HA HIS A 68 11.138 21.922 -21.102 1.00 0.00 H new ATOM 0 HB2 HIS A 68 10.182 19.923 -22.042 1.00 0.00 H new ATOM 0 HB3 HIS A 68 9.754 20.749 -23.527 1.00 0.00 H new ATOM 0 HD2 HIS A 68 12.802 19.264 -21.687 1.00 0.00 H new ATOM 0 HE1 HIS A 68 14.027 20.084 -25.690 1.00 0.00 H new ATOM 0 HE2 HIS A 68 14.698 19.017 -23.451 1.00 0.00 H new ATOM 1020 N SER A 69 12.515 23.202 -22.843 1.00 0.00 N ATOM 1021 CA SER A 69 13.301 24.177 -23.599 1.00 0.00 C ATOM 1022 C SER A 69 14.581 23.545 -24.141 1.00 0.00 C ATOM 1023 O SER A 69 14.793 22.337 -24.075 1.00 0.00 O ATOM 1024 CB SER A 69 13.632 25.401 -22.734 1.00 0.00 C ATOM 1025 OG SER A 69 14.726 25.115 -21.891 1.00 0.00 O ATOM 0 H SER A 69 13.091 22.503 -22.374 1.00 0.00 H new ATOM 0 HA SER A 69 12.698 24.507 -24.445 1.00 0.00 H new ATOM 0 HB2 SER A 69 13.867 26.254 -23.371 1.00 0.00 H new ATOM 0 HB3 SER A 69 12.764 25.679 -22.136 1.00 0.00 H new ATOM 0 HG SER A 69 14.405 24.675 -21.076 1.00 0.00 H new ATOM 1031 N LYS A 70 15.451 24.355 -24.731 1.00 0.00 N ATOM 1032 CA LYS A 70 16.747 23.886 -25.221 1.00 0.00 C ATOM 1033 C LYS A 70 17.790 23.853 -24.112 1.00 0.00 C ATOM 1034 O LYS A 70 18.696 24.677 -24.093 1.00 0.00 O ATOM 1035 CB LYS A 70 17.137 24.756 -26.415 1.00 0.00 C ATOM 1036 CG LYS A 70 17.064 23.936 -27.706 1.00 0.00 C ATOM 1037 CD LYS A 70 16.533 24.768 -28.874 1.00 0.00 C ATOM 1038 CE LYS A 70 17.673 25.231 -29.781 1.00 0.00 C ATOM 1039 NZ LYS A 70 17.962 26.672 -29.593 1.00 0.00 N ATOM 0 H LYS A 70 15.283 25.349 -24.884 1.00 0.00 H new ATOM 0 HA LYS A 70 16.682 22.851 -25.557 1.00 0.00 H new ATOM 0 HB2 LYS A 70 16.470 25.616 -26.482 1.00 0.00 H new ATOM 0 HB3 LYS A 70 18.146 25.145 -26.278 1.00 0.00 H new ATOM 0 HG2 LYS A 70 18.055 23.555 -27.952 1.00 0.00 H new ATOM 0 HG3 LYS A 70 16.419 23.071 -27.552 1.00 0.00 H new ATOM 0 HD2 LYS A 70 15.821 24.178 -29.451 1.00 0.00 H new ATOM 0 HD3 LYS A 70 15.993 25.634 -28.492 1.00 0.00 H new ATOM 0 HE2 LYS A 70 18.569 24.648 -29.568 1.00 0.00 H new ATOM 0 HE3 LYS A 70 17.411 25.044 -30.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 18.740 26.955 -30.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 17.113 27.229 -29.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 18.236 26.845 -28.605 1.00 0.00 H new ATOM 1053 N ASP A 71 17.668 22.871 -23.233 1.00 0.00 N ATOM 1054 CA ASP A 71 18.561 22.674 -22.083 1.00 0.00 C ATOM 1055 C ASP A 71 18.163 21.406 -21.335 1.00 0.00 C ATOM 1056 O ASP A 71 19.015 20.571 -21.041 1.00 0.00 O ATOM 1057 CB ASP A 71 18.529 23.911 -21.168 1.00 0.00 C ATOM 1058 CG ASP A 71 18.980 23.593 -19.745 1.00 0.00 C ATOM 1059 OD1 ASP A 71 18.124 23.048 -19.005 1.00 0.00 O ATOM 1060 OD2 ASP A 71 20.152 23.867 -19.438 1.00 0.00 O ATOM 0 H ASP A 71 16.931 22.168 -23.293 1.00 0.00 H new ATOM 0 HA ASP A 71 19.586 22.551 -22.432 1.00 0.00 H new ATOM 0 HB2 ASP A 71 19.172 24.685 -21.586 1.00 0.00 H new ATOM 0 HB3 ASP A 71 17.517 24.316 -21.144 1.00 0.00 H new ATOM 1065 N GLY A 72 16.860 21.268 -21.098 1.00 0.00 N ATOM 1066 CA GLY A 72 16.301 20.197 -20.313 1.00 0.00 C ATOM 1067 C GLY A 72 15.528 20.698 -19.105 1.00 0.00 C ATOM 1068 O GLY A 72 14.306 20.716 -19.134 1.00 0.00 O ATOM 0 H GLY A 72 16.159 21.916 -21.458 1.00 0.00 H new ATOM 0 HA2 GLY A 72 15.640 19.599 -20.940 1.00 0.00 H new ATOM 0 HA3 GLY A 72 17.104 19.540 -19.979 1.00 0.00 H new ATOM 1072 N ASN A 73 16.243 21.087 -18.054 1.00 0.00 N ATOM 1073 CA ASN A 73 15.777 21.572 -16.756 1.00 0.00 C ATOM 1074 C ASN A 73 16.308 22.991 -16.534 1.00 0.00 C ATOM 1075 O ASN A 73 17.047 23.244 -15.592 1.00 0.00 O ATOM 1076 CB ASN A 73 16.214 20.609 -15.623 1.00 0.00 C ATOM 1077 CG ASN A 73 17.660 20.142 -15.741 1.00 0.00 C ATOM 1078 OD1 ASN A 73 17.883 19.288 -16.699 1.00 0.00 O flip ATOM 1079 ND2 ASN A 73 18.580 20.510 -15.037 1.00 0.00 N flip ATOM 0 H ASN A 73 17.262 21.069 -18.092 1.00 0.00 H new ATOM 0 HA ASN A 73 14.688 21.602 -16.742 1.00 0.00 H new ATOM 0 HB2 ASN A 73 16.079 21.107 -14.663 1.00 0.00 H new ATOM 0 HB3 ASN A 73 15.559 19.738 -15.625 1.00 0.00 H new ATOM 0 HD21 ASN A 73 18.411 21.179 -14.285 1.00 0.00 H new ATOM 0 HD22 ASN A 73 19.521 20.150 -15.198 1.00 0.00 H new ATOM 1086 N GLY A 74 15.912 23.919 -17.410 1.00 0.00 N ATOM 1087 CA GLY A 74 16.430 25.282 -17.365 1.00 0.00 C ATOM 1088 C GLY A 74 15.900 26.042 -16.153 1.00 0.00 C ATOM 1089 O GLY A 74 16.279 25.825 -15.011 1.00 0.00 O ATOM 0 H GLY A 74 15.237 23.748 -18.155 1.00 0.00 H new ATOM 0 HA2 GLY A 74 17.519 25.257 -17.333 1.00 0.00 H new ATOM 0 HA3 GLY A 74 16.150 25.809 -18.277 1.00 0.00 H new ATOM 1093 N LYS A 75 14.976 26.968 -16.386 1.00 0.00 N ATOM 1094 CA LYS A 75 14.311 27.671 -15.276 1.00 0.00 C ATOM 1095 C LYS A 75 13.523 26.736 -14.349 1.00 0.00 C ATOM 1096 O LYS A 75 13.992 26.259 -13.325 1.00 0.00 O ATOM 1097 CB LYS A 75 13.446 28.793 -15.860 1.00 0.00 C ATOM 1098 CG LYS A 75 14.287 30.029 -16.199 1.00 0.00 C ATOM 1099 CD LYS A 75 13.611 31.277 -15.631 1.00 0.00 C ATOM 1100 CE LYS A 75 14.499 32.500 -15.846 1.00 0.00 C ATOM 1101 NZ LYS A 75 13.933 33.691 -15.165 1.00 0.00 N ATOM 0 H LYS A 75 14.668 27.252 -17.316 1.00 0.00 H new ATOM 0 HA LYS A 75 15.075 28.103 -14.629 1.00 0.00 H new ATOM 0 HB2 LYS A 75 12.942 28.436 -16.758 1.00 0.00 H new ATOM 0 HB3 LYS A 75 12.669 29.065 -15.146 1.00 0.00 H new ATOM 0 HG2 LYS A 75 15.290 29.925 -15.784 1.00 0.00 H new ATOM 0 HG3 LYS A 75 14.397 30.122 -17.279 1.00 0.00 H new ATOM 0 HD2 LYS A 75 12.646 31.429 -16.115 1.00 0.00 H new ATOM 0 HD3 LYS A 75 13.416 31.142 -14.567 1.00 0.00 H new ATOM 0 HE2 LYS A 75 15.500 32.299 -15.464 1.00 0.00 H new ATOM 0 HE3 LYS A 75 14.599 32.699 -16.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 14.554 34.510 -15.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 12.987 33.893 -15.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 13.861 33.506 -14.144 1.00 0.00 H new ATOM 1115 N THR A 76 12.256 26.540 -14.684 1.00 0.00 N ATOM 1116 CA THR A 76 11.395 25.632 -13.929 1.00 0.00 C ATOM 1117 C THR A 76 10.698 24.642 -14.835 1.00 0.00 C ATOM 1118 O THR A 76 9.723 24.037 -14.398 1.00 0.00 O ATOM 1119 CB THR A 76 10.447 26.425 -13.015 1.00 0.00 C ATOM 1120 OG1 THR A 76 10.397 25.767 -11.780 1.00 0.00 O ATOM 1121 CG2 THR A 76 8.989 26.597 -13.487 1.00 0.00 C ATOM 0 H THR A 76 11.798 26.996 -15.473 1.00 0.00 H new ATOM 0 HA THR A 76 12.013 25.022 -13.270 1.00 0.00 H new ATOM 0 HB THR A 76 10.866 27.431 -12.994 1.00 0.00 H new ATOM 0 HG1 THR A 76 9.799 26.253 -11.174 1.00 0.00 H new ATOM 0 HG21 THR A 76 8.433 27.175 -12.749 1.00 0.00 H new ATOM 0 HG22 THR A 76 8.975 27.121 -14.443 1.00 0.00 H new ATOM 0 HG23 THR A 76 8.526 25.617 -13.604 1.00 0.00 H new ATOM 1129 N ASP A 77 11.170 24.507 -16.076 1.00 0.00 N ATOM 1130 CA ASP A 77 10.597 23.682 -17.125 1.00 0.00 C ATOM 1131 C ASP A 77 9.868 22.467 -16.572 1.00 0.00 C ATOM 1132 O ASP A 77 10.473 21.489 -16.184 1.00 0.00 O ATOM 1133 CB ASP A 77 11.720 23.199 -18.046 1.00 0.00 C ATOM 1134 CG ASP A 77 12.282 24.292 -18.939 1.00 0.00 C ATOM 1135 OD1 ASP A 77 12.082 25.485 -18.634 1.00 0.00 O ATOM 1136 OD2 ASP A 77 12.903 23.877 -19.946 1.00 0.00 O ATOM 0 H ASP A 77 12.008 25.000 -16.386 1.00 0.00 H new ATOM 0 HA ASP A 77 9.873 24.292 -17.665 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.526 22.787 -17.438 1.00 0.00 H new ATOM 0 HB3 ASP A 77 11.344 22.388 -18.670 1.00 0.00 H new ATOM 1141 N HIS A 78 8.549 22.530 -16.426 1.00 0.00 N ATOM 1142 CA HIS A 78 7.832 21.480 -15.681 1.00 0.00 C ATOM 1143 C HIS A 78 7.470 20.384 -16.669 1.00 0.00 C ATOM 1144 O HIS A 78 6.298 20.145 -16.948 1.00 0.00 O ATOM 1145 CB HIS A 78 6.643 22.057 -14.912 1.00 0.00 C ATOM 1146 CG HIS A 78 5.841 23.047 -15.694 1.00 0.00 C ATOM 1147 ND1 HIS A 78 4.682 22.753 -16.374 1.00 0.00 N ATOM 1148 CD2 HIS A 78 6.127 24.370 -15.868 1.00 0.00 C ATOM 1149 CE1 HIS A 78 4.220 23.905 -16.891 1.00 0.00 C ATOM 1150 NE2 HIS A 78 5.089 24.899 -16.600 1.00 0.00 N ATOM 0 H HIS A 78 7.959 23.273 -16.800 1.00 0.00 H new ATOM 0 HA HIS A 78 8.461 21.042 -14.906 1.00 0.00 H new ATOM 0 HB2 HIS A 78 5.992 21.240 -14.602 1.00 0.00 H new ATOM 0 HB3 HIS A 78 7.008 22.536 -14.003 1.00 0.00 H new ATOM 0 HD1 HIS A 78 4.253 21.832 -16.468 1.00 0.00 H new ATOM 0 HD2 HIS A 78 6.996 24.897 -15.503 1.00 0.00 H new ATOM 0 HE1 HIS A 78 3.302 24.018 -17.449 1.00 0.00 H new ATOM 1159 N TYR A 79 8.493 19.841 -17.310 1.00 0.00 N ATOM 1160 CA TYR A 79 8.388 18.829 -18.331 1.00 0.00 C ATOM 1161 C TYR A 79 8.209 17.465 -17.660 1.00 0.00 C ATOM 1162 O TYR A 79 8.848 17.155 -16.657 1.00 0.00 O ATOM 1163 CB TYR A 79 9.602 18.919 -19.248 1.00 0.00 C ATOM 1164 CG TYR A 79 10.900 18.543 -18.572 1.00 0.00 C ATOM 1165 CD1 TYR A 79 11.365 17.221 -18.496 1.00 0.00 C ATOM 1166 CD2 TYR A 79 11.623 19.551 -17.935 1.00 0.00 C ATOM 1167 CE1 TYR A 79 12.547 16.947 -17.782 1.00 0.00 C ATOM 1168 CE2 TYR A 79 12.757 19.280 -17.163 1.00 0.00 C ATOM 1169 CZ TYR A 79 13.240 17.971 -17.099 1.00 0.00 C ATOM 1170 OH TYR A 79 14.340 17.721 -16.366 1.00 0.00 O ATOM 0 H TYR A 79 9.458 20.110 -17.119 1.00 0.00 H new ATOM 0 HA TYR A 79 7.514 18.980 -18.964 1.00 0.00 H new ATOM 0 HB2 TYR A 79 9.447 18.266 -20.107 1.00 0.00 H new ATOM 0 HB3 TYR A 79 9.683 19.936 -19.631 1.00 0.00 H new ATOM 0 HD1 TYR A 79 10.822 16.423 -18.980 1.00 0.00 H new ATOM 0 HD2 TYR A 79 11.296 20.575 -18.041 1.00 0.00 H new ATOM 0 HE1 TYR A 79 12.930 15.938 -17.756 1.00 0.00 H new ATOM 0 HE2 TYR A 79 13.253 20.073 -16.623 1.00 0.00 H new ATOM 0 HH TYR A 79 14.289 16.814 -15.998 1.00 0.00 H new ATOM 1180 N LEU A 80 7.256 16.680 -18.148 1.00 0.00 N ATOM 1181 CA LEU A 80 7.058 15.333 -17.617 1.00 0.00 C ATOM 1182 C LEU A 80 8.218 14.479 -18.069 1.00 0.00 C ATOM 1183 O LEU A 80 8.490 14.420 -19.257 1.00 0.00 O ATOM 1184 CB LEU A 80 5.759 14.751 -18.186 1.00 0.00 C ATOM 1185 CG LEU A 80 4.569 15.352 -17.438 1.00 0.00 C ATOM 1186 CD1 LEU A 80 3.339 15.552 -18.321 1.00 0.00 C ATOM 1187 CD2 LEU A 80 4.228 14.418 -16.300 1.00 0.00 C ATOM 0 H LEU A 80 6.617 16.945 -18.898 1.00 0.00 H new ATOM 0 HA LEU A 80 6.999 15.358 -16.529 1.00 0.00 H new ATOM 0 HB2 LEU A 80 5.683 14.971 -19.251 1.00 0.00 H new ATOM 0 HB3 LEU A 80 5.757 13.666 -18.084 1.00 0.00 H new ATOM 0 HG LEU A 80 4.853 16.343 -17.084 1.00 0.00 H new ATOM 0 HD11 LEU A 80 2.531 15.982 -17.728 1.00 0.00 H new ATOM 0 HD12 LEU A 80 3.586 16.226 -19.141 1.00 0.00 H new ATOM 0 HD13 LEU A 80 3.021 14.591 -18.725 1.00 0.00 H new ATOM 0 HD21 LEU A 80 3.380 14.817 -15.743 1.00 0.00 H new ATOM 0 HD22 LEU A 80 3.970 13.437 -16.699 1.00 0.00 H new ATOM 0 HD23 LEU A 80 5.087 14.325 -15.636 1.00 0.00 H new ATOM 1199 N LEU A 81 8.906 13.817 -17.156 1.00 0.00 N ATOM 1200 CA LEU A 81 10.011 12.934 -17.478 1.00 0.00 C ATOM 1201 C LEU A 81 9.692 11.539 -16.984 1.00 0.00 C ATOM 1202 O LEU A 81 9.130 11.355 -15.906 1.00 0.00 O ATOM 1203 CB LEU A 81 11.281 13.548 -16.893 1.00 0.00 C ATOM 1204 CG LEU A 81 12.430 12.545 -16.652 1.00 0.00 C ATOM 1205 CD1 LEU A 81 13.753 13.293 -16.782 1.00 0.00 C ATOM 1206 CD2 LEU A 81 12.282 11.840 -15.316 1.00 0.00 C ATOM 0 H LEU A 81 8.710 13.879 -16.157 1.00 0.00 H new ATOM 0 HA LEU A 81 10.173 12.831 -18.551 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.634 14.329 -17.566 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.033 14.030 -15.947 1.00 0.00 H new ATOM 0 HG LEU A 81 12.400 11.753 -17.401 1.00 0.00 H new ATOM 0 HD11 LEU A 81 14.579 12.602 -16.615 1.00 0.00 H new ATOM 0 HD12 LEU A 81 13.833 13.720 -17.782 1.00 0.00 H new ATOM 0 HD13 LEU A 81 13.793 14.092 -16.042 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.108 11.142 -15.180 1.00 0.00 H new ATOM 0 HD22 LEU A 81 12.293 12.577 -14.513 1.00 0.00 H new ATOM 0 HD23 LEU A 81 11.338 11.295 -15.295 1.00 0.00 H new ATOM 1218 N GLU A 82 10.084 10.550 -17.778 1.00 0.00 N ATOM 1219 CA GLU A 82 9.927 9.158 -17.392 1.00 0.00 C ATOM 1220 C GLU A 82 11.227 8.492 -16.938 1.00 0.00 C ATOM 1221 O GLU A 82 12.332 8.949 -17.254 1.00 0.00 O ATOM 1222 CB GLU A 82 9.324 8.372 -18.546 1.00 0.00 C ATOM 1223 CG GLU A 82 10.266 8.145 -19.697 1.00 0.00 C ATOM 1224 CD GLU A 82 9.969 9.036 -20.855 1.00 0.00 C ATOM 1225 OE1 GLU A 82 10.520 10.159 -20.834 1.00 0.00 O ATOM 1226 OE2 GLU A 82 9.427 8.474 -21.820 1.00 0.00 O ATOM 0 H GLU A 82 10.513 10.689 -18.693 1.00 0.00 H new ATOM 0 HA GLU A 82 9.261 9.151 -16.529 1.00 0.00 H new ATOM 0 HB2 GLU A 82 8.983 7.406 -18.174 1.00 0.00 H new ATOM 0 HB3 GLU A 82 8.444 8.901 -18.911 1.00 0.00 H new ATOM 0 HG2 GLU A 82 11.290 8.314 -19.364 1.00 0.00 H new ATOM 0 HG3 GLU A 82 10.202 7.105 -20.016 1.00 0.00 H new ATOM 1233 N PHE A 83 11.096 7.324 -16.309 1.00 0.00 N ATOM 1234 CA PHE A 83 12.272 6.599 -15.843 1.00 0.00 C ATOM 1235 C PHE A 83 12.074 5.076 -15.756 1.00 0.00 C ATOM 1236 O PHE A 83 11.098 4.636 -15.154 1.00 0.00 O ATOM 1237 CB PHE A 83 12.625 7.114 -14.455 1.00 0.00 C ATOM 1238 CG PHE A 83 14.017 6.786 -14.039 1.00 0.00 C ATOM 1239 CD1 PHE A 83 15.073 7.076 -14.905 1.00 0.00 C ATOM 1240 CD2 PHE A 83 14.254 6.129 -12.823 1.00 0.00 C ATOM 1241 CE1 PHE A 83 16.388 6.799 -14.534 1.00 0.00 C ATOM 1242 CE2 PHE A 83 15.584 5.875 -12.445 1.00 0.00 C ATOM 1243 CZ PHE A 83 16.627 6.278 -13.276 1.00 0.00 C ATOM 0 H PHE A 83 10.204 6.869 -16.114 1.00 0.00 H new ATOM 0 HA PHE A 83 13.063 6.773 -16.573 1.00 0.00 H new ATOM 0 HB2 PHE A 83 12.492 8.196 -14.432 1.00 0.00 H new ATOM 0 HB3 PHE A 83 11.928 6.692 -13.731 1.00 0.00 H new ATOM 0 HD1 PHE A 83 14.870 7.518 -15.869 1.00 0.00 H new ATOM 0 HD2 PHE A 83 13.433 5.825 -12.191 1.00 0.00 H new ATOM 0 HE1 PHE A 83 17.204 6.988 -15.216 1.00 0.00 H new ATOM 0 HE2 PHE A 83 15.796 5.370 -11.514 1.00 0.00 H new ATOM 0 HZ PHE A 83 17.645 6.181 -12.930 1.00 0.00 H new ATOM 1253 N PRO A 84 12.936 4.250 -16.365 1.00 0.00 N ATOM 1254 CA PRO A 84 12.811 2.812 -16.403 1.00 0.00 C ATOM 1255 C PRO A 84 13.105 2.222 -15.038 1.00 0.00 C ATOM 1256 O PRO A 84 14.191 2.395 -14.494 1.00 0.00 O ATOM 1257 CB PRO A 84 13.754 2.311 -17.472 1.00 0.00 C ATOM 1258 CG PRO A 84 14.735 3.444 -17.704 1.00 0.00 C ATOM 1259 CD PRO A 84 14.144 4.659 -17.021 1.00 0.00 C ATOM 0 HA PRO A 84 11.795 2.503 -16.649 1.00 0.00 H new ATOM 0 HB2 PRO A 84 14.268 1.405 -17.150 1.00 0.00 H new ATOM 0 HB3 PRO A 84 13.216 2.064 -18.387 1.00 0.00 H new ATOM 0 HG2 PRO A 84 15.714 3.202 -17.290 1.00 0.00 H new ATOM 0 HG3 PRO A 84 14.875 3.626 -18.770 1.00 0.00 H new ATOM 0 HD2 PRO A 84 14.849 5.072 -16.300 1.00 0.00 H new ATOM 0 HD3 PRO A 84 13.936 5.443 -17.749 1.00 0.00 H new ATOM 1267 N THR A 85 12.096 1.564 -14.490 1.00 0.00 N ATOM 1268 CA THR A 85 12.135 0.969 -13.161 1.00 0.00 C ATOM 1269 C THR A 85 11.901 -0.524 -13.292 1.00 0.00 C ATOM 1270 O THR A 85 10.810 -0.966 -13.654 1.00 0.00 O ATOM 1271 CB THR A 85 11.130 1.641 -12.211 1.00 0.00 C ATOM 1272 OG1 THR A 85 10.798 0.789 -11.149 1.00 0.00 O ATOM 1273 CG2 THR A 85 9.803 2.017 -12.878 1.00 0.00 C ATOM 0 H THR A 85 11.205 1.425 -14.967 1.00 0.00 H new ATOM 0 HA THR A 85 13.115 1.132 -12.714 1.00 0.00 H new ATOM 0 HB THR A 85 11.638 2.545 -11.877 1.00 0.00 H new ATOM 0 HG1 THR A 85 9.884 0.979 -10.851 1.00 0.00 H new ATOM 0 HG21 THR A 85 9.147 2.486 -12.144 1.00 0.00 H new ATOM 0 HG22 THR A 85 9.991 2.714 -13.695 1.00 0.00 H new ATOM 0 HG23 THR A 85 9.326 1.119 -13.270 1.00 0.00 H new ATOM 1281 N PHE A 86 12.939 -1.303 -13.018 1.00 0.00 N ATOM 1282 CA PHE A 86 12.859 -2.755 -13.038 1.00 0.00 C ATOM 1283 C PHE A 86 12.219 -3.333 -11.769 1.00 0.00 C ATOM 1284 O PHE A 86 12.252 -2.698 -10.711 1.00 0.00 O ATOM 1285 CB PHE A 86 14.268 -3.309 -13.183 1.00 0.00 C ATOM 1286 CG PHE A 86 14.974 -2.765 -14.372 1.00 0.00 C ATOM 1287 CD1 PHE A 86 14.499 -3.052 -15.670 1.00 0.00 C ATOM 1288 CD2 PHE A 86 16.117 -1.980 -14.169 1.00 0.00 C ATOM 1289 CE1 PHE A 86 15.188 -2.549 -16.786 1.00 0.00 C ATOM 1290 CE2 PHE A 86 16.822 -1.553 -15.294 1.00 0.00 C ATOM 1291 CZ PHE A 86 16.346 -1.783 -16.580 1.00 0.00 C ATOM 0 H PHE A 86 13.862 -0.943 -12.775 1.00 0.00 H new ATOM 0 HA PHE A 86 12.225 -3.044 -13.876 1.00 0.00 H new ATOM 0 HB2 PHE A 86 14.841 -3.075 -12.286 1.00 0.00 H new ATOM 0 HB3 PHE A 86 14.222 -4.395 -13.257 1.00 0.00 H new ATOM 0 HD1 PHE A 86 13.612 -3.654 -15.804 1.00 0.00 H new ATOM 0 HD2 PHE A 86 16.441 -1.714 -13.174 1.00 0.00 H new ATOM 0 HE1 PHE A 86 14.833 -2.748 -17.786 1.00 0.00 H new ATOM 0 HE2 PHE A 86 17.759 -1.032 -15.163 1.00 0.00 H new ATOM 0 HZ PHE A 86 16.872 -1.369 -17.428 1.00 0.00 H new ATOM 1301 N PRO A 87 11.679 -4.562 -11.852 1.00 0.00 N ATOM 1302 CA PRO A 87 11.071 -5.226 -10.718 1.00 0.00 C ATOM 1303 C PRO A 87 12.080 -5.728 -9.705 1.00 0.00 C ATOM 1304 O PRO A 87 11.802 -5.671 -8.508 1.00 0.00 O ATOM 1305 CB PRO A 87 10.323 -6.417 -11.278 1.00 0.00 C ATOM 1306 CG PRO A 87 10.877 -6.668 -12.681 1.00 0.00 C ATOM 1307 CD PRO A 87 11.687 -5.431 -13.025 1.00 0.00 C ATOM 0 HA PRO A 87 10.432 -4.514 -10.195 1.00 0.00 H new ATOM 0 HB2 PRO A 87 10.462 -7.293 -10.645 1.00 0.00 H new ATOM 0 HB3 PRO A 87 9.252 -6.218 -11.315 1.00 0.00 H new ATOM 0 HG2 PRO A 87 11.499 -7.563 -12.703 1.00 0.00 H new ATOM 0 HG3 PRO A 87 10.072 -6.822 -13.399 1.00 0.00 H new ATOM 0 HD2 PRO A 87 12.708 -5.703 -13.294 1.00 0.00 H new ATOM 0 HD3 PRO A 87 11.257 -4.918 -13.885 1.00 0.00 H new ATOM 1315 N ASP A 88 13.238 -6.200 -10.178 1.00 0.00 N ATOM 1316 CA ASP A 88 14.365 -6.720 -9.393 1.00 0.00 C ATOM 1317 C ASP A 88 14.680 -5.769 -8.232 1.00 0.00 C ATOM 1318 O ASP A 88 15.139 -6.156 -7.163 1.00 0.00 O ATOM 1319 CB ASP A 88 15.627 -6.875 -10.258 1.00 0.00 C ATOM 1320 CG ASP A 88 15.483 -7.381 -11.698 1.00 0.00 C ATOM 1321 OD1 ASP A 88 14.355 -7.673 -12.160 1.00 0.00 O ATOM 1322 OD2 ASP A 88 16.545 -7.349 -12.347 1.00 0.00 O ATOM 0 H ASP A 88 13.426 -6.232 -11.180 1.00 0.00 H new ATOM 0 HA ASP A 88 14.075 -7.699 -9.012 1.00 0.00 H new ATOM 0 HB2 ASP A 88 16.120 -5.904 -10.298 1.00 0.00 H new ATOM 0 HB3 ASP A 88 16.302 -7.554 -9.737 1.00 0.00 H new ATOM 1327 N GLY A 89 14.400 -4.488 -8.474 1.00 0.00 N ATOM 1328 CA GLY A 89 14.576 -3.406 -7.541 1.00 0.00 C ATOM 1329 C GLY A 89 15.970 -2.809 -7.606 1.00 0.00 C ATOM 1330 O GLY A 89 16.326 -1.981 -6.767 1.00 0.00 O ATOM 0 H GLY A 89 14.028 -4.176 -9.371 1.00 0.00 H new ATOM 0 HA2 GLY A 89 13.840 -2.628 -7.747 1.00 0.00 H new ATOM 0 HA3 GLY A 89 14.384 -3.766 -6.530 1.00 0.00 H new ATOM 1334 N HIS A 90 16.756 -3.275 -8.576 1.00 0.00 N ATOM 1335 CA HIS A 90 18.089 -2.786 -8.832 1.00 0.00 C ATOM 1336 C HIS A 90 17.948 -1.448 -9.546 1.00 0.00 C ATOM 1337 O HIS A 90 17.210 -1.324 -10.524 1.00 0.00 O ATOM 1338 CB HIS A 90 18.930 -3.857 -9.570 1.00 0.00 C ATOM 1339 CG HIS A 90 18.668 -4.075 -11.048 1.00 0.00 C ATOM 1340 ND1 HIS A 90 18.230 -5.254 -11.631 1.00 0.00 N ATOM 1341 CD2 HIS A 90 18.826 -3.165 -12.062 1.00 0.00 C ATOM 1342 CE1 HIS A 90 18.077 -5.044 -12.947 1.00 0.00 C ATOM 1343 NE2 HIS A 90 18.429 -3.782 -13.236 1.00 0.00 N ATOM 0 H HIS A 90 16.468 -4.018 -9.213 1.00 0.00 H new ATOM 0 HA HIS A 90 18.653 -2.605 -7.917 1.00 0.00 H new ATOM 0 HB2 HIS A 90 19.981 -3.595 -9.453 1.00 0.00 H new ATOM 0 HB3 HIS A 90 18.780 -4.809 -9.060 1.00 0.00 H new ATOM 0 HD1 HIS A 90 18.054 -6.132 -11.142 1.00 0.00 H new ATOM 0 HD2 HIS A 90 19.192 -2.154 -11.963 1.00 0.00 H new ATOM 0 HE1 HIS A 90 17.726 -5.775 -13.661 1.00 0.00 H new ATOM 1352 N ASP A 91 18.639 -0.454 -9.014 1.00 0.00 N ATOM 1353 CA ASP A 91 18.775 0.837 -9.647 1.00 0.00 C ATOM 1354 C ASP A 91 19.371 0.603 -11.030 1.00 0.00 C ATOM 1355 O ASP A 91 20.493 0.110 -11.142 1.00 0.00 O ATOM 1356 CB ASP A 91 19.664 1.690 -8.751 1.00 0.00 C ATOM 1357 CG ASP A 91 19.928 3.024 -9.392 1.00 0.00 C ATOM 1358 OD1 ASP A 91 19.096 3.896 -9.139 1.00 0.00 O ATOM 1359 OD2 ASP A 91 20.969 3.137 -10.088 1.00 0.00 O ATOM 0 H ASP A 91 19.125 -0.527 -8.120 1.00 0.00 H new ATOM 0 HA ASP A 91 17.828 1.361 -9.775 1.00 0.00 H new ATOM 0 HB2 ASP A 91 19.185 1.833 -7.783 1.00 0.00 H new ATOM 0 HB3 ASP A 91 20.607 1.175 -8.567 1.00 0.00 H new ATOM 1364 N TYR A 92 18.531 0.752 -12.058 1.00 0.00 N ATOM 1365 CA TYR A 92 18.928 0.640 -13.447 1.00 0.00 C ATOM 1366 C TYR A 92 20.325 1.242 -13.612 1.00 0.00 C ATOM 1367 O TYR A 92 20.580 2.330 -13.134 1.00 0.00 O ATOM 1368 CB TYR A 92 17.885 1.372 -14.311 1.00 0.00 C ATOM 1369 CG TYR A 92 18.330 1.610 -15.742 1.00 0.00 C ATOM 1370 CD1 TYR A 92 19.144 0.685 -16.449 1.00 0.00 C ATOM 1371 CD2 TYR A 92 17.956 2.811 -16.360 1.00 0.00 C ATOM 1372 CE1 TYR A 92 19.535 0.930 -17.775 1.00 0.00 C ATOM 1373 CE2 TYR A 92 18.345 3.056 -17.686 1.00 0.00 C ATOM 1374 CZ TYR A 92 19.075 2.095 -18.414 1.00 0.00 C ATOM 1375 OH TYR A 92 19.284 2.289 -19.731 1.00 0.00 O ATOM 0 H TYR A 92 17.539 0.958 -11.936 1.00 0.00 H new ATOM 0 HA TYR A 92 18.970 -0.401 -13.766 1.00 0.00 H new ATOM 0 HB2 TYR A 92 16.963 0.791 -14.320 1.00 0.00 H new ATOM 0 HB3 TYR A 92 17.653 2.331 -13.849 1.00 0.00 H new ATOM 0 HD1 TYR A 92 19.467 -0.221 -15.959 1.00 0.00 H new ATOM 0 HD2 TYR A 92 17.373 3.542 -15.820 1.00 0.00 H new ATOM 0 HE1 TYR A 92 20.178 0.236 -18.295 1.00 0.00 H new ATOM 0 HE2 TYR A 92 18.082 3.993 -18.154 1.00 0.00 H new ATOM 0 HH TYR A 92 18.679 2.987 -20.059 1.00 0.00 H new ATOM 1385 N LYS A 93 21.241 0.547 -14.279 1.00 0.00 N ATOM 1386 CA LYS A 93 22.552 1.094 -14.610 1.00 0.00 C ATOM 1387 C LYS A 93 22.463 2.229 -15.649 1.00 0.00 C ATOM 1388 O LYS A 93 23.050 2.163 -16.726 1.00 0.00 O ATOM 1389 CB LYS A 93 23.459 -0.037 -15.066 1.00 0.00 C ATOM 1390 CG LYS A 93 22.788 -0.926 -16.131 1.00 0.00 C ATOM 1391 CD LYS A 93 23.797 -1.268 -17.209 1.00 0.00 C ATOM 1392 CE LYS A 93 25.017 -1.989 -16.659 1.00 0.00 C ATOM 1393 NZ LYS A 93 26.243 -1.411 -17.244 1.00 0.00 N ATOM 0 H LYS A 93 21.096 -0.409 -14.604 1.00 0.00 H new ATOM 0 HA LYS A 93 22.981 1.551 -13.718 1.00 0.00 H new ATOM 0 HB2 LYS A 93 24.381 0.380 -15.471 1.00 0.00 H new ATOM 0 HB3 LYS A 93 23.736 -0.648 -14.207 1.00 0.00 H new ATOM 0 HG2 LYS A 93 22.407 -1.838 -15.672 1.00 0.00 H new ATOM 0 HG3 LYS A 93 21.934 -0.408 -16.568 1.00 0.00 H new ATOM 0 HD2 LYS A 93 23.319 -1.893 -17.964 1.00 0.00 H new ATOM 0 HD3 LYS A 93 24.115 -0.352 -17.708 1.00 0.00 H new ATOM 0 HE2 LYS A 93 25.044 -1.901 -15.573 1.00 0.00 H new ATOM 0 HE3 LYS A 93 24.958 -3.052 -16.891 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 26.779 -2.156 -17.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 25.986 -0.666 -17.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 26.829 -1.003 -16.488 1.00 0.00 H new ATOM 1407 N PHE A 94 21.739 3.284 -15.308 1.00 0.00 N ATOM 1408 CA PHE A 94 21.578 4.520 -16.053 1.00 0.00 C ATOM 1409 C PHE A 94 22.835 5.392 -16.005 1.00 0.00 C ATOM 1410 O PHE A 94 22.913 6.390 -16.721 1.00 0.00 O ATOM 1411 CB PHE A 94 20.361 5.280 -15.517 1.00 0.00 C ATOM 1412 CG PHE A 94 20.310 5.475 -14.028 1.00 0.00 C ATOM 1413 CD1 PHE A 94 21.216 6.325 -13.360 1.00 0.00 C ATOM 1414 CD2 PHE A 94 19.352 4.764 -13.300 1.00 0.00 C ATOM 1415 CE1 PHE A 94 21.152 6.452 -11.958 1.00 0.00 C ATOM 1416 CE2 PHE A 94 19.272 4.904 -11.909 1.00 0.00 C ATOM 1417 CZ PHE A 94 20.164 5.758 -11.236 1.00 0.00 C ATOM 0 H PHE A 94 21.209 3.298 -14.437 1.00 0.00 H new ATOM 0 HA PHE A 94 21.417 4.268 -17.101 1.00 0.00 H new ATOM 0 HB2 PHE A 94 20.331 6.260 -15.993 1.00 0.00 H new ATOM 0 HB3 PHE A 94 19.461 4.748 -15.825 1.00 0.00 H new ATOM 0 HD1 PHE A 94 21.956 6.876 -13.921 1.00 0.00 H new ATOM 0 HD2 PHE A 94 18.669 4.103 -13.813 1.00 0.00 H new ATOM 0 HE1 PHE A 94 21.860 7.081 -11.439 1.00 0.00 H new ATOM 0 HE2 PHE A 94 18.525 4.356 -11.353 1.00 0.00 H new ATOM 0 HZ PHE A 94 20.091 5.881 -10.166 1.00 0.00 H new ATOM 1427 N ASP A 95 23.841 4.984 -15.233 1.00 0.00 N ATOM 1428 CA ASP A 95 25.112 5.691 -15.065 1.00 0.00 C ATOM 1429 C ASP A 95 26.158 5.147 -16.058 1.00 0.00 C ATOM 1430 O ASP A 95 26.901 5.865 -16.728 1.00 0.00 O ATOM 1431 CB ASP A 95 25.593 5.478 -13.618 1.00 0.00 C ATOM 1432 CG ASP A 95 26.230 6.754 -13.086 1.00 0.00 C ATOM 1433 OD1 ASP A 95 27.435 6.931 -13.358 1.00 0.00 O ATOM 1434 OD2 ASP A 95 25.481 7.553 -12.484 1.00 0.00 O ATOM 0 H ASP A 95 23.793 4.123 -14.688 1.00 0.00 H new ATOM 0 HA ASP A 95 24.978 6.755 -15.262 1.00 0.00 H new ATOM 0 HB2 ASP A 95 24.753 5.191 -12.986 1.00 0.00 H new ATOM 0 HB3 ASP A 95 26.313 4.660 -13.582 1.00 0.00 H new ATOM 1439 N SER A 96 26.162 3.825 -16.232 1.00 0.00 N ATOM 1440 CA SER A 96 27.085 3.166 -17.143 1.00 0.00 C ATOM 1441 C SER A 96 26.584 3.373 -18.569 1.00 0.00 C ATOM 1442 O SER A 96 25.726 2.640 -19.058 1.00 0.00 O ATOM 1443 CB SER A 96 27.203 1.669 -16.860 1.00 0.00 C ATOM 1444 OG SER A 96 27.769 1.314 -15.618 1.00 0.00 O ATOM 0 H SER A 96 25.529 3.189 -15.747 1.00 0.00 H new ATOM 0 HA SER A 96 28.074 3.603 -17.005 1.00 0.00 H new ATOM 0 HB2 SER A 96 26.208 1.229 -16.921 1.00 0.00 H new ATOM 0 HB3 SER A 96 27.801 1.217 -17.651 1.00 0.00 H new ATOM 0 HG SER A 96 27.944 0.350 -15.602 1.00 0.00 H new ATOM 1450 N LYS A 97 27.148 4.367 -19.260 1.00 0.00 N ATOM 1451 CA LYS A 97 26.806 4.643 -20.664 1.00 0.00 C ATOM 1452 C LYS A 97 27.087 3.443 -21.562 1.00 0.00 C ATOM 1453 O LYS A 97 26.308 3.097 -22.449 1.00 0.00 O ATOM 1454 CB LYS A 97 27.533 5.907 -21.152 1.00 0.00 C ATOM 1455 CG LYS A 97 28.930 5.661 -21.724 1.00 0.00 C ATOM 1456 CD LYS A 97 29.579 6.910 -22.270 1.00 0.00 C ATOM 1457 CE LYS A 97 30.874 6.520 -23.000 1.00 0.00 C ATOM 1458 NZ LYS A 97 32.064 6.991 -22.255 1.00 0.00 N ATOM 0 H LYS A 97 27.847 4.999 -18.870 1.00 0.00 H new ATOM 0 HA LYS A 97 25.733 4.827 -20.722 1.00 0.00 H new ATOM 0 HB2 LYS A 97 26.922 6.389 -21.916 1.00 0.00 H new ATOM 0 HB3 LYS A 97 27.614 6.607 -20.320 1.00 0.00 H new ATOM 0 HG2 LYS A 97 29.565 5.240 -20.945 1.00 0.00 H new ATOM 0 HG3 LYS A 97 28.864 4.917 -22.518 1.00 0.00 H new ATOM 0 HD2 LYS A 97 28.900 7.420 -22.954 1.00 0.00 H new ATOM 0 HD3 LYS A 97 29.798 7.606 -21.460 1.00 0.00 H new ATOM 0 HE2 LYS A 97 30.918 5.437 -23.117 1.00 0.00 H new ATOM 0 HE3 LYS A 97 30.874 6.949 -24.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 32.926 6.716 -22.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 32.030 8.027 -22.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 32.073 6.562 -21.308 1.00 0.00 H new ATOM 1472 N LYS A 98 28.280 2.869 -21.374 1.00 0.00 N ATOM 1473 CA LYS A 98 28.758 1.729 -22.130 1.00 0.00 C ATOM 1474 C LYS A 98 29.601 0.795 -21.242 1.00 0.00 C ATOM 1475 O LYS A 98 30.560 1.269 -20.633 1.00 0.00 O ATOM 1476 CB LYS A 98 29.490 2.146 -23.421 1.00 0.00 C ATOM 1477 CG LYS A 98 28.694 1.645 -24.646 1.00 0.00 C ATOM 1478 CD LYS A 98 29.581 1.536 -25.888 1.00 0.00 C ATOM 1479 CE LYS A 98 29.575 2.850 -26.675 1.00 0.00 C ATOM 1480 NZ LYS A 98 30.944 3.392 -26.845 1.00 0.00 N ATOM 0 H LYS A 98 28.947 3.198 -20.675 1.00 0.00 H new ATOM 0 HA LYS A 98 27.887 1.162 -22.458 1.00 0.00 H new ATOM 0 HB2 LYS A 98 29.594 3.230 -23.459 1.00 0.00 H new ATOM 0 HB3 LYS A 98 30.497 1.729 -23.432 1.00 0.00 H new ATOM 0 HG2 LYS A 98 28.257 0.671 -24.423 1.00 0.00 H new ATOM 0 HG3 LYS A 98 27.867 2.327 -24.847 1.00 0.00 H new ATOM 0 HD2 LYS A 98 30.600 1.288 -25.592 1.00 0.00 H new ATOM 0 HD3 LYS A 98 29.227 0.724 -26.523 1.00 0.00 H new ATOM 0 HE2 LYS A 98 29.124 2.686 -27.654 1.00 0.00 H new ATOM 0 HE3 LYS A 98 28.955 3.582 -26.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 30.901 4.282 -27.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 31.365 3.572 -25.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 31.528 2.704 -27.361 1.00 0.00 H new ATOM 1494 N PRO A 99 29.254 -0.506 -21.194 1.00 0.00 N ATOM 1495 CA PRO A 99 28.066 -1.037 -21.842 1.00 0.00 C ATOM 1496 C PRO A 99 26.789 -0.550 -21.144 1.00 0.00 C ATOM 1497 O PRO A 99 26.838 0.034 -20.060 1.00 0.00 O ATOM 1498 CB PRO A 99 28.196 -2.536 -21.851 1.00 0.00 C ATOM 1499 CG PRO A 99 29.197 -2.850 -20.734 1.00 0.00 C ATOM 1500 CD PRO A 99 29.881 -1.524 -20.371 1.00 0.00 C ATOM 0 HA PRO A 99 27.984 -0.677 -22.868 1.00 0.00 H new ATOM 0 HB2 PRO A 99 27.235 -3.017 -21.668 1.00 0.00 H new ATOM 0 HB3 PRO A 99 28.554 -2.896 -22.816 1.00 0.00 H new ATOM 0 HG2 PRO A 99 28.690 -3.274 -19.867 1.00 0.00 H new ATOM 0 HG3 PRO A 99 29.930 -3.586 -21.066 1.00 0.00 H new ATOM 0 HD2 PRO A 99 29.757 -1.299 -19.312 1.00 0.00 H new ATOM 0 HD3 PRO A 99 30.953 -1.574 -20.563 1.00 0.00 H new ATOM 1508 N LYS A 100 25.643 -0.834 -21.751 1.00 0.00 N ATOM 1509 CA LYS A 100 24.333 -0.504 -21.199 1.00 0.00 C ATOM 1510 C LYS A 100 23.461 -1.748 -21.210 1.00 0.00 C ATOM 1511 O LYS A 100 23.609 -2.587 -22.092 1.00 0.00 O ATOM 1512 CB LYS A 100 23.747 0.686 -21.962 1.00 0.00 C ATOM 1513 CG LYS A 100 23.285 0.330 -23.389 1.00 0.00 C ATOM 1514 CD LYS A 100 21.956 1.018 -23.731 1.00 0.00 C ATOM 1515 CE LYS A 100 22.147 2.406 -24.339 1.00 0.00 C ATOM 1516 NZ LYS A 100 23.117 2.359 -25.458 1.00 0.00 N ATOM 0 H LYS A 100 25.596 -1.307 -22.654 1.00 0.00 H new ATOM 0 HA LYS A 100 24.403 -0.189 -20.158 1.00 0.00 H new ATOM 0 HB2 LYS A 100 22.901 1.086 -21.403 1.00 0.00 H new ATOM 0 HB3 LYS A 100 24.495 1.477 -22.017 1.00 0.00 H new ATOM 0 HG2 LYS A 100 24.048 0.631 -24.107 1.00 0.00 H new ATOM 0 HG3 LYS A 100 23.172 -0.750 -23.478 1.00 0.00 H new ATOM 0 HD2 LYS A 100 21.398 0.394 -24.429 1.00 0.00 H new ATOM 0 HD3 LYS A 100 21.353 1.102 -22.827 1.00 0.00 H new ATOM 0 HE2 LYS A 100 21.190 2.787 -24.696 1.00 0.00 H new ATOM 0 HE3 LYS A 100 22.500 3.098 -23.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 22.912 3.128 -26.127 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 24.082 2.471 -25.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 23.039 1.444 -25.947 1.00 0.00 H new ATOM 1530 N GLU A 101 22.601 -1.880 -20.220 1.00 0.00 N ATOM 1531 CA GLU A 101 21.618 -2.964 -20.187 1.00 0.00 C ATOM 1532 C GLU A 101 20.296 -2.464 -20.766 1.00 0.00 C ATOM 1533 O GLU A 101 20.123 -1.258 -20.958 1.00 0.00 O ATOM 1534 CB GLU A 101 21.511 -3.503 -18.756 1.00 0.00 C ATOM 1535 CG GLU A 101 20.455 -4.587 -18.586 1.00 0.00 C ATOM 1536 CD GLU A 101 20.579 -5.246 -17.218 1.00 0.00 C ATOM 1537 OE1 GLU A 101 21.429 -6.155 -17.121 1.00 0.00 O ATOM 1538 OE2 GLU A 101 19.889 -4.774 -16.286 1.00 0.00 O ATOM 0 H GLU A 101 22.557 -1.250 -19.419 1.00 0.00 H new ATOM 0 HA GLU A 101 21.927 -3.803 -20.810 1.00 0.00 H new ATOM 0 HB2 GLU A 101 22.480 -3.902 -18.454 1.00 0.00 H new ATOM 0 HB3 GLU A 101 21.282 -2.677 -18.083 1.00 0.00 H new ATOM 0 HG2 GLU A 101 19.461 -4.155 -18.699 1.00 0.00 H new ATOM 0 HG3 GLU A 101 20.567 -5.337 -19.369 1.00 0.00 H new ATOM 1545 N ASN A 102 19.400 -3.408 -21.070 1.00 0.00 N ATOM 1546 CA ASN A 102 18.012 -3.156 -21.447 1.00 0.00 C ATOM 1547 C ASN A 102 17.437 -1.962 -20.664 1.00 0.00 C ATOM 1548 O ASN A 102 17.585 -1.923 -19.450 1.00 0.00 O ATOM 1549 CB ASN A 102 17.148 -4.420 -21.211 1.00 0.00 C ATOM 1550 CG ASN A 102 15.651 -4.123 -21.227 1.00 0.00 C ATOM 1551 OD1 ASN A 102 15.137 -3.584 -20.154 1.00 0.00 O flip ATOM 1552 ND2 ASN A 102 14.959 -4.249 -22.214 1.00 0.00 N flip ATOM 0 H ASN A 102 19.632 -4.401 -21.059 1.00 0.00 H new ATOM 0 HA ASN A 102 17.990 -2.910 -22.509 1.00 0.00 H new ATOM 0 HB2 ASN A 102 17.376 -5.159 -21.979 1.00 0.00 H new ATOM 0 HB3 ASN A 102 17.416 -4.864 -20.252 1.00 0.00 H new ATOM 0 HD21 ASN A 102 15.347 -4.668 -23.059 1.00 0.00 H new ATOM 0 HD22 ASN A 102 13.988 -3.936 -22.200 1.00 0.00 H new ATOM 1559 N PRO A 103 16.666 -1.074 -21.308 1.00 0.00 N ATOM 1560 CA PRO A 103 16.017 0.040 -20.646 1.00 0.00 C ATOM 1561 C PRO A 103 14.848 -0.357 -19.754 1.00 0.00 C ATOM 1562 O PRO A 103 14.913 -0.197 -18.554 1.00 0.00 O ATOM 1563 CB PRO A 103 15.548 0.938 -21.769 1.00 0.00 C ATOM 1564 CG PRO A 103 15.481 0.065 -23.031 1.00 0.00 C ATOM 1565 CD PRO A 103 16.279 -1.177 -22.704 1.00 0.00 C ATOM 0 HA PRO A 103 16.717 0.524 -19.964 1.00 0.00 H new ATOM 0 HB2 PRO A 103 14.571 1.365 -21.541 1.00 0.00 H new ATOM 0 HB3 PRO A 103 16.235 1.772 -21.911 1.00 0.00 H new ATOM 0 HG2 PRO A 103 14.450 -0.185 -23.281 1.00 0.00 H new ATOM 0 HG3 PRO A 103 15.900 0.586 -23.892 1.00 0.00 H new ATOM 0 HD2 PRO A 103 15.684 -2.074 -22.875 1.00 0.00 H new ATOM 0 HD3 PRO A 103 17.158 -1.251 -23.344 1.00 0.00 H new ATOM 1573 N GLY A 104 13.745 -0.830 -20.330 1.00 0.00 N ATOM 1574 CA GLY A 104 12.583 -1.258 -19.553 1.00 0.00 C ATOM 1575 C GLY A 104 11.302 -0.636 -20.104 1.00 0.00 C ATOM 1576 O GLY A 104 11.328 0.513 -20.556 1.00 0.00 O ATOM 0 H GLY A 104 13.631 -0.927 -21.339 1.00 0.00 H new ATOM 0 HA2 GLY A 104 12.504 -2.345 -19.577 1.00 0.00 H new ATOM 0 HA3 GLY A 104 12.712 -0.971 -18.509 1.00 0.00 H new ATOM 1580 N PRO A 105 10.191 -1.393 -20.113 1.00 0.00 N ATOM 1581 CA PRO A 105 8.911 -0.929 -20.613 1.00 0.00 C ATOM 1582 C PRO A 105 8.256 0.022 -19.628 1.00 0.00 C ATOM 1583 O PRO A 105 8.057 1.191 -19.951 1.00 0.00 O ATOM 1584 CB PRO A 105 8.066 -2.175 -20.848 1.00 0.00 C ATOM 1585 CG PRO A 105 8.725 -3.291 -20.030 1.00 0.00 C ATOM 1586 CD PRO A 105 10.099 -2.769 -19.644 1.00 0.00 C ATOM 0 HA PRO A 105 9.025 -0.365 -21.539 1.00 0.00 H new ATOM 0 HB2 PRO A 105 7.036 -2.014 -20.530 1.00 0.00 H new ATOM 0 HB3 PRO A 105 8.036 -2.432 -21.907 1.00 0.00 H new ATOM 0 HG2 PRO A 105 8.134 -3.527 -19.145 1.00 0.00 H new ATOM 0 HG3 PRO A 105 8.805 -4.208 -20.614 1.00 0.00 H new ATOM 0 HD2 PRO A 105 10.238 -2.816 -18.564 1.00 0.00 H new ATOM 0 HD3 PRO A 105 10.882 -3.380 -20.093 1.00 0.00 H new ATOM 1594 N ALA A 106 7.869 -0.492 -18.461 1.00 0.00 N ATOM 1595 CA ALA A 106 7.257 0.312 -17.421 1.00 0.00 C ATOM 1596 C ALA A 106 8.222 1.349 -16.886 1.00 0.00 C ATOM 1597 O ALA A 106 9.365 1.049 -16.523 1.00 0.00 O ATOM 1598 CB ALA A 106 6.863 -0.585 -16.292 1.00 0.00 C ATOM 0 H ALA A 106 7.974 -1.477 -18.217 1.00 0.00 H new ATOM 0 HA ALA A 106 6.393 0.822 -17.846 1.00 0.00 H new ATOM 0 HB1 ALA A 106 6.401 0.006 -15.502 1.00 0.00 H new ATOM 0 HB2 ALA A 106 6.153 -1.330 -16.650 1.00 0.00 H new ATOM 0 HB3 ALA A 106 7.748 -1.086 -15.900 1.00 0.00 H new ATOM 1604 N ARG A 107 7.726 2.573 -16.803 1.00 0.00 N ATOM 1605 CA ARG A 107 8.512 3.702 -16.345 1.00 0.00 C ATOM 1606 C ARG A 107 7.676 4.588 -15.459 1.00 0.00 C ATOM 1607 O ARG A 107 6.470 4.646 -15.650 1.00 0.00 O ATOM 1608 CB ARG A 107 9.055 4.480 -17.551 1.00 0.00 C ATOM 1609 CG ARG A 107 9.948 3.607 -18.446 1.00 0.00 C ATOM 1610 CD ARG A 107 11.124 4.372 -19.056 1.00 0.00 C ATOM 1611 NE ARG A 107 11.167 4.174 -20.502 1.00 0.00 N ATOM 1612 CZ ARG A 107 10.237 4.547 -21.351 1.00 0.00 C ATOM 1613 NH1 ARG A 107 9.134 5.107 -20.958 1.00 0.00 N ATOM 1614 NH2 ARG A 107 10.410 4.388 -22.619 1.00 0.00 N ATOM 0 H ARG A 107 6.766 2.810 -17.052 1.00 0.00 H new ATOM 0 HA ARG A 107 9.358 3.342 -15.760 1.00 0.00 H new ATOM 0 HB2 ARG A 107 8.222 4.867 -18.138 1.00 0.00 H new ATOM 0 HB3 ARG A 107 9.625 5.341 -17.200 1.00 0.00 H new ATOM 0 HG2 ARG A 107 10.331 2.771 -17.860 1.00 0.00 H new ATOM 0 HG3 ARG A 107 9.344 3.183 -19.248 1.00 0.00 H new ATOM 0 HD2 ARG A 107 11.030 5.434 -18.831 1.00 0.00 H new ATOM 0 HD3 ARG A 107 12.058 4.032 -18.608 1.00 0.00 H new ATOM 0 HE ARG A 107 11.989 3.707 -20.885 1.00 0.00 H new ATOM 0 HH11 ARG A 107 8.970 5.269 -19.964 1.00 0.00 H new ATOM 0 HH12 ARG A 107 8.431 5.385 -21.643 1.00 0.00 H new ATOM 0 HH21 ARG A 107 11.273 3.970 -22.968 1.00 0.00 H new ATOM 0 HH22 ARG A 107 9.684 4.680 -23.273 1.00 0.00 H new ATOM 1628 N VAL A 108 8.321 5.263 -14.522 1.00 0.00 N ATOM 1629 CA VAL A 108 7.677 6.194 -13.597 1.00 0.00 C ATOM 1630 C VAL A 108 7.627 7.592 -14.198 1.00 0.00 C ATOM 1631 O VAL A 108 8.650 8.157 -14.569 1.00 0.00 O ATOM 1632 CB VAL A 108 8.408 6.200 -12.254 1.00 0.00 C ATOM 1633 CG1 VAL A 108 9.903 6.438 -12.392 1.00 0.00 C ATOM 1634 CG2 VAL A 108 7.792 7.258 -11.345 1.00 0.00 C ATOM 0 H VAL A 108 9.327 5.181 -14.376 1.00 0.00 H new ATOM 0 HA VAL A 108 6.653 5.864 -13.424 1.00 0.00 H new ATOM 0 HB VAL A 108 8.289 5.208 -11.817 1.00 0.00 H new ATOM 0 HG11 VAL A 108 10.365 6.431 -11.405 1.00 0.00 H new ATOM 0 HG12 VAL A 108 10.342 5.650 -13.004 1.00 0.00 H new ATOM 0 HG13 VAL A 108 10.075 7.404 -12.866 1.00 0.00 H new ATOM 0 HG21 VAL A 108 8.313 7.263 -10.387 1.00 0.00 H new ATOM 0 HG22 VAL A 108 7.884 8.238 -11.813 1.00 0.00 H new ATOM 0 HG23 VAL A 108 6.738 7.030 -11.184 1.00 0.00 H new ATOM 1644 N ILE A 109 6.431 8.127 -14.385 1.00 0.00 N ATOM 1645 CA ILE A 109 6.241 9.410 -15.073 1.00 0.00 C ATOM 1646 C ILE A 109 5.873 10.396 -14.006 1.00 0.00 C ATOM 1647 O ILE A 109 4.881 10.204 -13.308 1.00 0.00 O ATOM 1648 CB ILE A 109 5.206 9.301 -16.200 1.00 0.00 C ATOM 1649 CG1 ILE A 109 5.825 8.717 -17.478 1.00 0.00 C ATOM 1650 CG2 ILE A 109 4.599 10.665 -16.565 1.00 0.00 C ATOM 1651 CD1 ILE A 109 6.665 7.472 -17.210 1.00 0.00 C ATOM 0 H ILE A 109 5.564 7.693 -14.069 1.00 0.00 H new ATOM 0 HA ILE A 109 7.146 9.739 -15.583 1.00 0.00 H new ATOM 0 HB ILE A 109 4.427 8.641 -15.818 1.00 0.00 H new ATOM 0 HG12 ILE A 109 5.030 8.469 -18.181 1.00 0.00 H new ATOM 0 HG13 ILE A 109 6.447 9.475 -17.954 1.00 0.00 H new ATOM 0 HG21 ILE A 109 3.872 10.537 -17.367 1.00 0.00 H new ATOM 0 HG22 ILE A 109 4.104 11.089 -15.691 1.00 0.00 H new ATOM 0 HG23 ILE A 109 5.390 11.338 -16.896 1.00 0.00 H new ATOM 0 HD11 ILE A 109 7.078 7.102 -18.149 1.00 0.00 H new ATOM 0 HD12 ILE A 109 7.479 7.722 -16.529 1.00 0.00 H new ATOM 0 HD13 ILE A 109 6.040 6.701 -16.760 1.00 0.00 H new ATOM 1663 N TYR A 110 6.718 11.396 -13.845 1.00 0.00 N ATOM 1664 CA TYR A 110 6.531 12.419 -12.852 1.00 0.00 C ATOM 1665 C TYR A 110 6.828 13.766 -13.495 1.00 0.00 C ATOM 1666 O TYR A 110 7.599 13.894 -14.452 1.00 0.00 O ATOM 1667 CB TYR A 110 7.414 12.073 -11.652 1.00 0.00 C ATOM 1668 CG TYR A 110 8.900 12.153 -11.951 1.00 0.00 C ATOM 1669 CD1 TYR A 110 9.508 13.401 -12.191 1.00 0.00 C ATOM 1670 CD2 TYR A 110 9.691 10.993 -11.987 1.00 0.00 C ATOM 1671 CE1 TYR A 110 10.885 13.525 -12.431 1.00 0.00 C ATOM 1672 CE2 TYR A 110 11.078 11.099 -12.192 1.00 0.00 C ATOM 1673 CZ TYR A 110 11.686 12.364 -12.341 1.00 0.00 C ATOM 1674 OH TYR A 110 13.032 12.439 -12.381 1.00 0.00 O ATOM 0 H TYR A 110 7.560 11.516 -14.409 1.00 0.00 H new ATOM 0 HA TYR A 110 5.508 12.479 -12.480 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.180 12.751 -10.831 1.00 0.00 H new ATOM 0 HB3 TYR A 110 7.173 11.066 -11.312 1.00 0.00 H new ATOM 0 HD1 TYR A 110 8.895 14.290 -12.190 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.235 10.022 -11.858 1.00 0.00 H new ATOM 0 HE1 TYR A 110 11.321 14.482 -12.678 1.00 0.00 H new ATOM 0 HE2 TYR A 110 11.683 10.205 -12.236 1.00 0.00 H new ATOM 0 HH TYR A 110 13.412 11.539 -12.304 1.00 0.00 H new ATOM 1684 N THR A 111 6.174 14.785 -12.967 1.00 0.00 N ATOM 1685 CA THR A 111 6.382 16.152 -13.428 1.00 0.00 C ATOM 1686 C THR A 111 7.599 16.732 -12.732 1.00 0.00 C ATOM 1687 O THR A 111 7.975 16.287 -11.655 1.00 0.00 O ATOM 1688 CB THR A 111 5.119 17.005 -13.197 1.00 0.00 C ATOM 1689 OG1 THR A 111 5.024 17.574 -11.913 1.00 0.00 O ATOM 1690 CG2 THR A 111 3.819 16.208 -13.423 1.00 0.00 C ATOM 0 H THR A 111 5.491 14.694 -12.215 1.00 0.00 H new ATOM 0 HA THR A 111 6.568 16.155 -14.502 1.00 0.00 H new ATOM 0 HB THR A 111 5.228 17.801 -13.933 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.199 18.099 -11.848 1.00 0.00 H new ATOM 0 HG21 THR A 111 2.960 16.856 -13.247 1.00 0.00 H new ATOM 0 HG22 THR A 111 3.792 15.839 -14.448 1.00 0.00 H new ATOM 0 HG23 THR A 111 3.785 15.365 -12.733 1.00 0.00 H new ATOM 1698 N TYR A 112 8.214 17.744 -13.326 1.00 0.00 N ATOM 1699 CA TYR A 112 9.368 18.388 -12.709 1.00 0.00 C ATOM 1700 C TYR A 112 8.993 19.774 -12.121 1.00 0.00 C ATOM 1701 O TYR A 112 8.041 20.417 -12.581 1.00 0.00 O ATOM 1702 CB TYR A 112 10.531 18.371 -13.717 1.00 0.00 C ATOM 1703 CG TYR A 112 11.606 19.431 -13.522 1.00 0.00 C ATOM 1704 CD1 TYR A 112 11.279 20.789 -13.639 1.00 0.00 C ATOM 1705 CD2 TYR A 112 12.925 19.081 -13.184 1.00 0.00 C ATOM 1706 CE1 TYR A 112 12.233 21.792 -13.439 1.00 0.00 C ATOM 1707 CE2 TYR A 112 13.893 20.085 -12.949 1.00 0.00 C ATOM 1708 CZ TYR A 112 13.551 21.455 -13.079 1.00 0.00 C ATOM 1709 OH TYR A 112 14.457 22.424 -12.820 1.00 0.00 O ATOM 0 H TYR A 112 7.938 18.135 -14.226 1.00 0.00 H new ATOM 0 HA TYR A 112 9.715 17.837 -11.835 1.00 0.00 H new ATOM 0 HB2 TYR A 112 11.005 17.391 -13.676 1.00 0.00 H new ATOM 0 HB3 TYR A 112 10.117 18.483 -14.719 1.00 0.00 H new ATOM 0 HD1 TYR A 112 10.266 21.068 -13.890 1.00 0.00 H new ATOM 0 HD2 TYR A 112 13.201 18.040 -13.103 1.00 0.00 H new ATOM 0 HE1 TYR A 112 11.957 22.829 -13.561 1.00 0.00 H new ATOM 0 HE2 TYR A 112 14.898 19.807 -12.669 1.00 0.00 H new ATOM 0 HH TYR A 112 15.316 22.015 -12.586 1.00 0.00 H new ATOM 1719 N PRO A 113 9.768 20.282 -11.141 1.00 0.00 N ATOM 1720 CA PRO A 113 10.794 19.533 -10.433 1.00 0.00 C ATOM 1721 C PRO A 113 10.185 18.525 -9.485 1.00 0.00 C ATOM 1722 O PRO A 113 10.584 17.361 -9.493 1.00 0.00 O ATOM 1723 CB PRO A 113 11.655 20.525 -9.690 1.00 0.00 C ATOM 1724 CG PRO A 113 10.819 21.812 -9.633 1.00 0.00 C ATOM 1725 CD PRO A 113 9.688 21.646 -10.658 1.00 0.00 C ATOM 0 HA PRO A 113 11.397 18.966 -11.142 1.00 0.00 H new ATOM 0 HB2 PRO A 113 11.896 20.166 -8.689 1.00 0.00 H new ATOM 0 HB3 PRO A 113 12.601 20.691 -10.206 1.00 0.00 H new ATOM 0 HG2 PRO A 113 10.415 21.968 -8.633 1.00 0.00 H new ATOM 0 HG3 PRO A 113 11.431 22.682 -9.869 1.00 0.00 H new ATOM 0 HD2 PRO A 113 8.718 21.839 -10.200 1.00 0.00 H new ATOM 0 HD3 PRO A 113 9.800 22.355 -11.478 1.00 0.00 H new ATOM 1733 N ASN A 114 9.237 18.984 -8.663 1.00 0.00 N ATOM 1734 CA ASN A 114 8.487 18.149 -7.733 1.00 0.00 C ATOM 1735 C ASN A 114 7.979 16.914 -8.465 1.00 0.00 C ATOM 1736 O ASN A 114 7.057 17.046 -9.259 1.00 0.00 O ATOM 1737 CB ASN A 114 7.272 18.908 -7.179 1.00 0.00 C ATOM 1738 CG ASN A 114 6.602 18.095 -6.081 1.00 0.00 C ATOM 1739 OD1 ASN A 114 7.189 17.198 -5.491 1.00 0.00 O ATOM 1740 ND2 ASN A 114 5.360 18.393 -5.791 1.00 0.00 N ATOM 0 H ASN A 114 8.967 19.967 -8.628 1.00 0.00 H new ATOM 0 HA ASN A 114 9.148 17.872 -6.912 1.00 0.00 H new ATOM 0 HB2 ASN A 114 7.586 19.875 -6.786 1.00 0.00 H new ATOM 0 HB3 ASN A 114 6.561 19.106 -7.981 1.00 0.00 H new ATOM 0 HD21 ASN A 114 4.868 17.874 -5.064 1.00 0.00 H new ATOM 0 HD22 ASN A 114 4.885 19.144 -6.292 1.00 0.00 H new ATOM 1747 N LYS A 115 8.605 15.757 -8.223 1.00 0.00 N ATOM 1748 CA LYS A 115 8.305 14.471 -8.843 1.00 0.00 C ATOM 1749 C LYS A 115 6.885 14.079 -8.486 1.00 0.00 C ATOM 1750 O LYS A 115 6.671 13.299 -7.563 1.00 0.00 O ATOM 1751 CB LYS A 115 9.316 13.395 -8.398 1.00 0.00 C ATOM 1752 CG LYS A 115 10.524 13.350 -9.324 1.00 0.00 C ATOM 1753 CD LYS A 115 11.878 13.259 -8.667 1.00 0.00 C ATOM 1754 CE LYS A 115 12.181 14.650 -8.109 1.00 0.00 C ATOM 1755 NZ LYS A 115 12.038 14.676 -6.648 1.00 0.00 N ATOM 0 H LYS A 115 9.373 15.694 -7.555 1.00 0.00 H new ATOM 0 HA LYS A 115 8.391 14.556 -9.926 1.00 0.00 H new ATOM 0 HB2 LYS A 115 9.644 13.601 -7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 115 8.829 12.420 -8.385 1.00 0.00 H new ATOM 0 HG2 LYS A 115 10.411 12.494 -9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 115 10.508 14.244 -9.948 1.00 0.00 H new ATOM 0 HD2 LYS A 115 11.874 12.514 -7.872 1.00 0.00 H new ATOM 0 HD3 LYS A 115 12.639 12.955 -9.386 1.00 0.00 H new ATOM 0 HE2 LYS A 115 13.194 14.943 -8.384 1.00 0.00 H new ATOM 0 HE3 LYS A 115 11.506 15.380 -8.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 12.676 15.394 -6.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 11.056 14.910 -6.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 12.281 13.743 -6.259 1.00 0.00 H new ATOM 1769 N VAL A 116 5.932 14.662 -9.199 1.00 0.00 N ATOM 1770 CA VAL A 116 4.504 14.470 -8.981 1.00 0.00 C ATOM 1771 C VAL A 116 4.190 13.163 -9.687 1.00 0.00 C ATOM 1772 O VAL A 116 3.683 13.152 -10.804 1.00 0.00 O ATOM 1773 CB VAL A 116 3.666 15.649 -9.518 1.00 0.00 C ATOM 1774 CG1 VAL A 116 2.159 15.321 -9.606 1.00 0.00 C ATOM 1775 CG2 VAL A 116 3.896 16.935 -8.701 1.00 0.00 C ATOM 0 H VAL A 116 6.136 15.300 -9.968 1.00 0.00 H new ATOM 0 HA VAL A 116 4.251 14.431 -7.922 1.00 0.00 H new ATOM 0 HB VAL A 116 4.017 15.825 -10.535 1.00 0.00 H new ATOM 0 HG11 VAL A 116 1.620 16.187 -9.990 1.00 0.00 H new ATOM 0 HG12 VAL A 116 2.009 14.474 -10.276 1.00 0.00 H new ATOM 0 HG13 VAL A 116 1.783 15.070 -8.614 1.00 0.00 H new ATOM 0 HG21 VAL A 116 3.288 17.741 -9.112 1.00 0.00 H new ATOM 0 HG22 VAL A 116 3.615 16.761 -7.662 1.00 0.00 H new ATOM 0 HG23 VAL A 116 4.949 17.214 -8.750 1.00 0.00 H new ATOM 1785 N PHE A 117 4.646 12.077 -9.067 1.00 0.00 N ATOM 1786 CA PHE A 117 4.419 10.705 -9.479 1.00 0.00 C ATOM 1787 C PHE A 117 3.005 10.560 -10.043 1.00 0.00 C ATOM 1788 O PHE A 117 2.010 10.652 -9.318 1.00 0.00 O ATOM 1789 CB PHE A 117 4.630 9.802 -8.267 1.00 0.00 C ATOM 1790 CG PHE A 117 4.114 8.419 -8.504 1.00 0.00 C ATOM 1791 CD1 PHE A 117 4.822 7.581 -9.375 1.00 0.00 C ATOM 1792 CD2 PHE A 117 2.899 8.015 -7.921 1.00 0.00 C ATOM 1793 CE1 PHE A 117 4.308 6.316 -9.692 1.00 0.00 C ATOM 1794 CE2 PHE A 117 2.403 6.733 -8.193 1.00 0.00 C ATOM 1795 CZ PHE A 117 3.092 5.916 -9.109 1.00 0.00 C ATOM 0 H PHE A 117 5.212 12.140 -8.221 1.00 0.00 H new ATOM 0 HA PHE A 117 5.117 10.418 -10.265 1.00 0.00 H new ATOM 0 HB2 PHE A 117 5.693 9.757 -8.029 1.00 0.00 H new ATOM 0 HB3 PHE A 117 4.127 10.233 -7.401 1.00 0.00 H new ATOM 0 HD1 PHE A 117 5.759 7.908 -9.800 1.00 0.00 H new ATOM 0 HD2 PHE A 117 2.355 8.685 -7.272 1.00 0.00 H new ATOM 0 HE1 PHE A 117 4.835 5.662 -10.370 1.00 0.00 H new ATOM 0 HE2 PHE A 117 1.506 6.377 -7.707 1.00 0.00 H new ATOM 0 HZ PHE A 117 2.675 4.955 -9.372 1.00 0.00 H new ATOM 1805 N CYS A 118 2.911 10.422 -11.360 1.00 0.00 N ATOM 1806 CA CYS A 118 1.628 10.321 -12.018 1.00 0.00 C ATOM 1807 C CYS A 118 1.162 8.872 -11.983 1.00 0.00 C ATOM 1808 O CYS A 118 -0.001 8.577 -11.705 1.00 0.00 O ATOM 1809 CB CYS A 118 1.712 10.824 -13.455 1.00 0.00 C ATOM 1810 SG CYS A 118 2.631 12.352 -13.714 1.00 0.00 S ATOM 0 H CYS A 118 3.713 10.378 -11.988 1.00 0.00 H new ATOM 0 HA CYS A 118 0.907 10.946 -11.492 1.00 0.00 H new ATOM 0 HB2 CYS A 118 2.167 10.043 -14.065 1.00 0.00 H new ATOM 0 HB3 CYS A 118 0.698 10.968 -13.827 1.00 0.00 H new ATOM 1815 N GLY A 119 2.092 7.981 -12.306 1.00 0.00 N ATOM 1816 CA GLY A 119 1.856 6.562 -12.334 1.00 0.00 C ATOM 1817 C GLY A 119 2.945 5.856 -13.102 1.00 0.00 C ATOM 1818 O GLY A 119 4.112 6.237 -13.052 1.00 0.00 O ATOM 0 H GLY A 119 3.046 8.240 -12.559 1.00 0.00 H new ATOM 0 HA2 GLY A 119 1.813 6.175 -11.316 1.00 0.00 H new ATOM 0 HA3 GLY A 119 0.889 6.358 -12.794 1.00 0.00 H new ATOM 1822 N ILE A 120 2.568 4.783 -13.772 1.00 0.00 N ATOM 1823 CA ILE A 120 3.529 3.989 -14.514 1.00 0.00 C ATOM 1824 C ILE A 120 2.954 3.878 -15.896 1.00 0.00 C ATOM 1825 O ILE A 120 1.742 3.766 -16.066 1.00 0.00 O ATOM 1826 CB ILE A 120 3.750 2.637 -13.834 1.00 0.00 C ATOM 1827 CG1 ILE A 120 3.939 2.757 -12.308 1.00 0.00 C ATOM 1828 CG2 ILE A 120 4.930 1.899 -14.491 1.00 0.00 C ATOM 1829 CD1 ILE A 120 5.360 2.755 -11.808 1.00 0.00 C ATOM 0 H ILE A 120 1.608 4.442 -13.818 1.00 0.00 H new ATOM 0 HA ILE A 120 4.520 4.441 -14.553 1.00 0.00 H new ATOM 0 HB ILE A 120 2.843 2.050 -13.978 1.00 0.00 H new ATOM 0 HG12 ILE A 120 3.461 3.679 -11.976 1.00 0.00 H new ATOM 0 HG13 ILE A 120 3.408 1.933 -11.832 1.00 0.00 H new ATOM 0 HG21 ILE A 120 5.078 0.938 -13.998 1.00 0.00 H new ATOM 0 HG22 ILE A 120 4.715 1.736 -15.547 1.00 0.00 H new ATOM 0 HG23 ILE A 120 5.834 2.499 -14.393 1.00 0.00 H new ATOM 0 HD11 ILE A 120 5.364 2.844 -10.722 1.00 0.00 H new ATOM 0 HD12 ILE A 120 5.846 1.823 -12.097 1.00 0.00 H new ATOM 0 HD13 ILE A 120 5.900 3.596 -12.243 1.00 0.00 H new ATOM 1841 N ILE A 121 3.807 3.950 -16.899 1.00 0.00 N ATOM 1842 CA ILE A 121 3.381 3.884 -18.283 1.00 0.00 C ATOM 1843 C ILE A 121 4.243 2.861 -18.995 1.00 0.00 C ATOM 1844 O ILE A 121 5.413 2.696 -18.659 1.00 0.00 O ATOM 1845 CB ILE A 121 3.455 5.270 -18.951 1.00 0.00 C ATOM 1846 CG1 ILE A 121 4.897 5.586 -19.396 1.00 0.00 C ATOM 1847 CG2 ILE A 121 2.882 6.391 -18.044 1.00 0.00 C ATOM 1848 CD1 ILE A 121 4.991 6.819 -20.276 1.00 0.00 C ATOM 0 H ILE A 121 4.814 4.056 -16.778 1.00 0.00 H new ATOM 0 HA ILE A 121 2.338 3.574 -18.342 1.00 0.00 H new ATOM 0 HB ILE A 121 2.824 5.236 -19.839 1.00 0.00 H new ATOM 0 HG12 ILE A 121 5.520 5.728 -18.513 1.00 0.00 H new ATOM 0 HG13 ILE A 121 5.300 4.730 -19.936 1.00 0.00 H new ATOM 0 HG21 ILE A 121 2.956 7.349 -18.559 1.00 0.00 H new ATOM 0 HG22 ILE A 121 1.836 6.179 -17.820 1.00 0.00 H new ATOM 0 HG23 ILE A 121 3.450 6.433 -17.115 1.00 0.00 H new ATOM 0 HD11 ILE A 121 6.031 6.988 -20.556 1.00 0.00 H new ATOM 0 HD12 ILE A 121 4.393 6.671 -21.175 1.00 0.00 H new ATOM 0 HD13 ILE A 121 4.617 7.685 -19.730 1.00 0.00 H new ATOM 1860 N ALA A 122 3.696 2.217 -20.011 1.00 0.00 N ATOM 1861 CA ALA A 122 4.425 1.234 -20.797 1.00 0.00 C ATOM 1862 C ALA A 122 3.633 0.862 -22.049 1.00 0.00 C ATOM 1863 O ALA A 122 2.432 1.115 -22.148 1.00 0.00 O ATOM 1864 CB ALA A 122 4.692 -0.004 -19.930 1.00 0.00 C ATOM 0 H ALA A 122 2.733 2.360 -20.316 1.00 0.00 H new ATOM 0 HA ALA A 122 5.377 1.656 -21.119 1.00 0.00 H new ATOM 0 HB1 ALA A 122 5.238 -0.745 -20.513 1.00 0.00 H new ATOM 0 HB2 ALA A 122 5.284 0.282 -19.060 1.00 0.00 H new ATOM 0 HB3 ALA A 122 3.744 -0.429 -19.600 1.00 0.00 H new ATOM 2011 N LYS A 132 0.540 3.774 -22.719 1.00 0.00 N ATOM 2012 CA LYS A 132 -0.665 3.888 -21.902 1.00 0.00 C ATOM 2013 C LYS A 132 -0.281 3.814 -20.440 1.00 0.00 C ATOM 2014 O LYS A 132 0.869 3.509 -20.125 1.00 0.00 O ATOM 2015 CB LYS A 132 -1.656 2.786 -22.293 1.00 0.00 C ATOM 2016 CG LYS A 132 -1.019 1.383 -22.352 1.00 0.00 C ATOM 2017 CD LYS A 132 -1.823 0.362 -21.542 1.00 0.00 C ATOM 2018 CE LYS A 132 -2.619 -0.554 -22.488 1.00 0.00 C ATOM 2019 NZ LYS A 132 -4.064 -0.298 -22.355 1.00 0.00 N ATOM 0 HA LYS A 132 -1.155 4.846 -22.074 1.00 0.00 H new ATOM 0 HB2 LYS A 132 -2.477 2.774 -21.576 1.00 0.00 H new ATOM 0 HB3 LYS A 132 -2.086 3.023 -23.266 1.00 0.00 H new ATOM 0 HG2 LYS A 132 -0.955 1.056 -23.390 1.00 0.00 H new ATOM 0 HG3 LYS A 132 0.001 1.430 -21.969 1.00 0.00 H new ATOM 0 HD2 LYS A 132 -1.151 -0.235 -20.925 1.00 0.00 H new ATOM 0 HD3 LYS A 132 -2.504 0.878 -20.865 1.00 0.00 H new ATOM 0 HE2 LYS A 132 -2.306 -0.383 -23.518 1.00 0.00 H new ATOM 0 HE3 LYS A 132 -2.405 -1.598 -22.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 132 -4.588 -0.924 -23.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 132 -4.361 -0.483 -21.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 132 -4.264 0.694 -22.596 1.00 0.00 H new ATOM 2033 N LEU A 133 -1.245 4.079 -19.569 1.00 0.00 N ATOM 2034 CA LEU A 133 -1.044 4.008 -18.132 1.00 0.00 C ATOM 2035 C LEU A 133 -1.182 2.552 -17.692 1.00 0.00 C ATOM 2036 O LEU A 133 -2.081 1.851 -18.160 1.00 0.00 O ATOM 2037 CB LEU A 133 -2.043 4.951 -17.429 1.00 0.00 C ATOM 2038 CG LEU A 133 -1.596 5.375 -16.013 1.00 0.00 C ATOM 2039 CD1 LEU A 133 -0.388 6.314 -16.048 1.00 0.00 C ATOM 2040 CD2 LEU A 133 -2.735 6.122 -15.320 1.00 0.00 C ATOM 0 H LEU A 133 -2.190 4.350 -19.842 1.00 0.00 H new ATOM 0 HA LEU A 133 -0.045 4.343 -17.852 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -2.181 5.843 -18.040 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -3.012 4.457 -17.363 1.00 0.00 H new ATOM 0 HG LEU A 133 -1.326 4.464 -15.478 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -0.109 6.586 -15.030 1.00 0.00 H new ATOM 0 HD12 LEU A 133 0.450 5.812 -16.532 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -0.643 7.214 -16.607 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -2.419 6.421 -14.321 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -2.994 7.008 -15.899 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -3.605 5.470 -15.245 1.00 0.00 H new ATOM 2052 N CYS A 134 -0.273 2.115 -16.827 1.00 0.00 N ATOM 2053 CA CYS A 134 -0.328 0.810 -16.189 1.00 0.00 C ATOM 2054 C CYS A 134 -1.521 0.744 -15.238 1.00 0.00 C ATOM 2055 O CYS A 134 -2.275 1.698 -15.038 1.00 0.00 O ATOM 2056 CB CYS A 134 0.973 0.574 -15.431 1.00 0.00 C ATOM 2057 SG CYS A 134 2.392 0.698 -16.526 1.00 0.00 S ATOM 0 H CYS A 134 0.536 2.670 -16.546 1.00 0.00 H new ATOM 0 HA CYS A 134 -0.450 0.034 -16.945 1.00 0.00 H new ATOM 0 HB2 CYS A 134 1.066 1.303 -14.626 1.00 0.00 H new ATOM 0 HB3 CYS A 134 0.953 -0.412 -14.967 1.00 0.00 H new ATOM 2062 N SER A 135 -1.641 -0.377 -14.559 1.00 0.00 N ATOM 2063 CA SER A 135 -2.748 -0.600 -13.651 1.00 0.00 C ATOM 2064 C SER A 135 -2.269 -1.677 -12.717 1.00 0.00 C ATOM 2065 O SER A 135 -1.737 -2.691 -13.158 1.00 0.00 O ATOM 2066 CB SER A 135 -3.986 -1.065 -14.430 1.00 0.00 C ATOM 2067 OG SER A 135 -4.760 0.044 -14.855 1.00 0.00 O ATOM 0 H SER A 135 -0.982 -1.153 -14.619 1.00 0.00 H new ATOM 0 HA SER A 135 -3.036 0.304 -13.115 1.00 0.00 H new ATOM 0 HB2 SER A 135 -3.677 -1.652 -15.295 1.00 0.00 H new ATOM 0 HB3 SER A 135 -4.592 -1.718 -13.802 1.00 0.00 H new ATOM 0 HG SER A 135 -4.171 0.809 -15.024 1.00 0.00 H new ATOM 2073 N HIS A 136 -2.330 -1.358 -11.433 1.00 0.00 N ATOM 2074 CA HIS A 136 -2.018 -2.279 -10.344 1.00 0.00 C ATOM 2075 C HIS A 136 -2.654 -3.651 -10.517 1.00 0.00 C ATOM 2076 O HIS A 136 -3.803 -3.687 -10.944 1.00 0.00 O ATOM 2077 CB HIS A 136 -2.446 -1.688 -9.000 1.00 0.00 C ATOM 2078 CG HIS A 136 -2.332 -0.193 -8.901 1.00 0.00 C ATOM 2079 ND1 HIS A 136 -3.398 0.682 -8.946 1.00 0.00 N ATOM 2080 CD2 HIS A 136 -1.194 0.535 -8.747 1.00 0.00 C ATOM 2081 CE1 HIS A 136 -2.918 1.933 -8.794 1.00 0.00 C ATOM 2082 NE2 HIS A 136 -1.575 1.860 -8.662 1.00 0.00 N ATOM 2083 OXT HIS A 136 -1.956 -4.614 -10.098 1.00 0.00 O ATOM 0 H HIS A 136 -2.604 -0.430 -11.109 1.00 0.00 H new ATOM 0 HA HIS A 136 -0.937 -2.416 -10.367 1.00 0.00 H new ATOM 0 HB2 HIS A 136 -3.480 -1.972 -8.808 1.00 0.00 H new ATOM 0 HB3 HIS A 136 -1.840 -2.137 -8.213 1.00 0.00 H new ATOM 0 HD2 HIS A 136 -0.186 0.151 -8.700 1.00 0.00 H new ATOM 0 HE1 HIS A 136 -3.506 2.839 -8.780 1.00 0.00 H new ATOM 0 HE2 HIS A 136 -0.947 2.652 -8.523 1.00 0.00 H new