USER MOD reduce.3.24.130724 H: found=0, std=0, add=875, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 875 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 64 ASN : amide:sc= -1.42! C(o=-0.37!,f=-17!) USER MOD Set 1.2: A 82 LYS NZ :NH3+ 139:sc= 1.05 (180deg=0) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 178:sc= -0.675 (180deg=-0.694) USER MOD Single : A 4 GLN : amide:sc= -0.135 X(o=-0.13,f=-0.13) USER MOD Single : A 5 ASN : amide:sc= -0.706 X(o=-0.71,f=-0.97) USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.00765 X(o=0.0077,f=0) USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -1.13 K(o=-1.1,f=-1.8!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot -48:sc= 1.03 USER MOD Single : A 31 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.0952) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.599 USER MOD Single : A 41 LYS NZ :NH3+ -164:sc= -0.0171 (180deg=-0.313) USER MOD Single : A 42 TYR OH : rot -51:sc= 0.948 USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -155:sc= 0.827 (180deg=0.135) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 TYR OH : rot 106:sc= 0.0927 USER MOD Single : A 62 CYS SG : rot 63:sc= 0.572 USER MOD Single : A 63 TYR OH : rot 180:sc= -0.026 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -3.08 K(o=-3.1,f=-1.9) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 ASN : amide:sc= -2.02 K(o=-2,f=-6.8!) USER MOD Single : A 76 LYS NZ :NH3+ -159:sc= -0.129 (180deg=-0.782) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -162:sc= -0.0702 (180deg=-0.491) USER MOD Single : A 104 LYS NZ :NH3+ 163:sc= -0.0359 (180deg=-0.373) USER MOD Single : A 107 HIS : no HD1:sc= -0.737 K(o=-0.74,f=-2.1) USER MOD Single : A 108 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 109 HIS : no HD1:sc=-0.00154 X(o=-0.0015,f=-0.23) USER MOD Single : A 110 HIS : no HD1:sc= -0.0057 X(o=-0.0057,f=-0.0057) USER MOD Single : A 111 HIS : no HD1:sc= -0.82 K(o=-0.82,f=-0.14) USER MOD Single : A 112 HIS : no HD1:sc= -0.0939 X(o=-0.094,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.220 -16.566 4.477 1.00 1.00 N ATOM 2 CA MET A 1 25.391 -15.464 5.467 1.00 1.00 C ATOM 3 C MET A 1 24.633 -14.232 4.982 1.00 1.00 C ATOM 4 O MET A 1 24.947 -13.105 5.367 1.00 1.00 O ATOM 5 CB MET A 1 26.878 -15.138 5.612 1.00 1.00 C ATOM 6 CG MET A 1 27.602 -16.314 6.271 1.00 1.00 C ATOM 7 SD MET A 1 29.357 -15.909 6.464 1.00 1.00 S ATOM 8 CE MET A 1 29.916 -17.543 7.004 1.00 1.00 C ATOM 0 H1 MET A 1 25.763 -17.398 4.786 1.00 1.00 H new ATOM 0 H2 MET A 1 24.213 -16.816 4.407 1.00 1.00 H new ATOM 0 H3 MET A 1 25.565 -16.254 3.547 1.00 1.00 H new ATOM 0 HA MET A 1 24.997 -15.772 6.436 1.00 1.00 H new ATOM 0 HB2 MET A 1 27.312 -14.933 4.633 1.00 1.00 H new ATOM 0 HB3 MET A 1 27.006 -14.237 6.212 1.00 1.00 H new ATOM 0 HG2 MET A 1 27.158 -16.530 7.243 1.00 1.00 H new ATOM 0 HG3 MET A 1 27.489 -17.212 5.663 1.00 1.00 H new ATOM 0 HE1 MET A 1 30.991 -17.519 7.183 1.00 1.00 H new ATOM 0 HE2 MET A 1 29.401 -17.818 7.924 1.00 1.00 H new ATOM 0 HE3 MET A 1 29.693 -18.278 6.230 1.00 1.00 H new ATOM 20 N VAL A 2 23.634 -14.458 4.137 1.00 1.00 N ATOM 21 CA VAL A 2 22.822 -13.363 3.596 1.00 1.00 C ATOM 22 C VAL A 2 21.747 -12.956 4.597 1.00 1.00 C ATOM 23 O VAL A 2 21.079 -13.800 5.195 1.00 1.00 O ATOM 24 CB VAL A 2 22.163 -13.791 2.273 1.00 1.00 C ATOM 25 CG1 VAL A 2 23.223 -13.893 1.174 1.00 1.00 C ATOM 26 CG2 VAL A 2 21.482 -15.154 2.443 1.00 1.00 C ATOM 0 H VAL A 2 23.363 -15.385 3.809 1.00 1.00 H new ATOM 0 HA VAL A 2 23.475 -12.510 3.409 1.00 1.00 H new ATOM 0 HB VAL A 2 21.418 -13.045 1.995 1.00 1.00 H new ATOM 0 HG11 VAL A 2 22.750 -14.196 0.240 1.00 1.00 H new ATOM 0 HG12 VAL A 2 23.703 -12.923 1.040 1.00 1.00 H new ATOM 0 HG13 VAL A 2 23.972 -14.632 1.458 1.00 1.00 H new ATOM 0 HG21 VAL A 2 21.018 -15.449 1.502 1.00 1.00 H new ATOM 0 HG22 VAL A 2 22.224 -15.898 2.731 1.00 1.00 H new ATOM 0 HG23 VAL A 2 20.718 -15.085 3.218 1.00 1.00 H new ATOM 36 N ASP A 3 21.581 -11.649 4.777 1.00 1.00 N ATOM 37 CA ASP A 3 20.584 -11.133 5.705 1.00 1.00 C ATOM 38 C ASP A 3 20.482 -9.619 5.573 1.00 1.00 C ATOM 39 O ASP A 3 19.751 -8.970 6.321 1.00 1.00 O ATOM 40 CB ASP A 3 20.958 -11.500 7.146 1.00 1.00 C ATOM 41 CG ASP A 3 19.810 -11.159 8.090 1.00 1.00 C ATOM 42 OD1 ASP A 3 18.693 -11.038 7.614 1.00 1.00 O ATOM 43 OD2 ASP A 3 20.068 -11.026 9.274 1.00 1.00 O ATOM 0 H ASP A 3 22.122 -10.932 4.294 1.00 1.00 H new ATOM 0 HA ASP A 3 19.620 -11.581 5.463 1.00 1.00 H new ATOM 0 HB2 ASP A 3 21.188 -12.564 7.210 1.00 1.00 H new ATOM 0 HB3 ASP A 3 21.857 -10.961 7.445 1.00 1.00 H new ATOM 48 N GLN A 4 21.219 -9.063 4.618 1.00 1.00 N ATOM 49 CA GLN A 4 21.208 -7.620 4.387 1.00 1.00 C ATOM 50 C GLN A 4 19.925 -7.213 3.674 1.00 1.00 C ATOM 51 O GLN A 4 19.774 -6.073 3.235 1.00 1.00 O ATOM 52 CB GLN A 4 22.412 -7.211 3.535 1.00 1.00 C ATOM 53 CG GLN A 4 23.706 -7.634 4.235 1.00 1.00 C ATOM 54 CD GLN A 4 23.869 -6.874 5.548 1.00 1.00 C ATOM 55 OE1 GLN A 4 23.905 -5.643 5.555 1.00 1.00 O ATOM 56 NE2 GLN A 4 23.967 -7.539 6.667 1.00 1.00 N ATOM 0 H GLN A 4 21.831 -9.586 3.992 1.00 1.00 H new ATOM 0 HA GLN A 4 21.262 -7.116 5.352 1.00 1.00 H new ATOM 0 HB2 GLN A 4 22.350 -7.678 2.552 1.00 1.00 H new ATOM 0 HB3 GLN A 4 22.408 -6.133 3.377 1.00 1.00 H new ATOM 0 HG2 GLN A 4 23.690 -8.707 4.427 1.00 1.00 H new ATOM 0 HG3 GLN A 4 24.559 -7.439 3.586 1.00 1.00 H new ATOM 0 HE21 GLN A 4 23.937 -8.559 6.659 1.00 1.00 H new ATOM 0 HE22 GLN A 4 24.074 -7.039 7.550 1.00 1.00 H new ATOM 65 N ASN A 5 18.998 -8.159 3.568 1.00 1.00 N ATOM 66 CA ASN A 5 17.725 -7.874 2.903 1.00 1.00 C ATOM 67 C ASN A 5 16.664 -8.944 3.231 1.00 1.00 C ATOM 68 O ASN A 5 16.977 -10.134 3.185 1.00 1.00 O ATOM 69 CB ASN A 5 17.931 -7.824 1.386 1.00 1.00 C ATOM 70 CG ASN A 5 16.602 -7.534 0.689 1.00 1.00 C ATOM 71 OD1 ASN A 5 15.836 -8.455 0.399 1.00 1.00 O ATOM 72 ND2 ASN A 5 16.281 -6.302 0.406 1.00 1.00 N ATOM 0 H ASN A 5 19.096 -9.110 3.924 1.00 1.00 H new ATOM 0 HA ASN A 5 17.369 -6.910 3.267 1.00 1.00 H new ATOM 0 HB2 ASN A 5 18.659 -7.053 1.135 1.00 1.00 H new ATOM 0 HB3 ASN A 5 18.337 -8.772 1.034 1.00 1.00 H new ATOM 0 HD21 ASN A 5 15.395 -6.099 -0.056 1.00 1.00 H new ATOM 0 HD22 ASN A 5 16.916 -5.541 0.647 1.00 1.00 H new ATOM 79 N PRO A 6 15.452 -8.563 3.528 1.00 1.00 N ATOM 80 CA PRO A 6 14.380 -9.549 3.836 1.00 1.00 C ATOM 81 C PRO A 6 13.938 -10.317 2.591 1.00 1.00 C ATOM 82 O PRO A 6 12.821 -10.153 2.103 1.00 1.00 O ATOM 83 CB PRO A 6 13.225 -8.690 4.407 1.00 1.00 C ATOM 84 CG PRO A 6 13.431 -7.330 3.806 1.00 1.00 C ATOM 85 CD PRO A 6 14.944 -7.171 3.612 1.00 1.00 C ATOM 0 HA PRO A 6 14.717 -10.314 4.535 1.00 1.00 H new ATOM 0 HB2 PRO A 6 12.253 -9.101 4.134 1.00 1.00 H new ATOM 0 HB3 PRO A 6 13.260 -8.652 5.496 1.00 1.00 H new ATOM 0 HG2 PRO A 6 12.905 -7.241 2.855 1.00 1.00 H new ATOM 0 HG3 PRO A 6 13.039 -6.552 4.461 1.00 1.00 H new ATOM 0 HD2 PRO A 6 15.172 -6.609 2.706 1.00 1.00 H new ATOM 0 HD3 PRO A 6 15.397 -6.632 4.444 1.00 1.00 H new ATOM 93 N GLU A 7 14.799 -11.180 2.063 1.00 1.00 N ATOM 94 CA GLU A 7 14.467 -11.976 0.886 1.00 1.00 C ATOM 95 C GLU A 7 13.787 -13.266 1.307 1.00 1.00 C ATOM 96 O GLU A 7 12.782 -13.649 0.710 1.00 1.00 O ATOM 97 CB GLU A 7 15.738 -12.288 0.085 1.00 1.00 C ATOM 98 CG GLU A 7 15.375 -13.009 -1.218 1.00 1.00 C ATOM 99 CD GLU A 7 16.626 -13.211 -2.069 1.00 1.00 C ATOM 100 OE1 GLU A 7 17.623 -13.658 -1.527 1.00 1.00 O ATOM 101 OE2 GLU A 7 16.570 -12.910 -3.251 1.00 1.00 O ATOM 0 H GLU A 7 15.735 -11.347 2.432 1.00 1.00 H new ATOM 0 HA GLU A 7 13.785 -11.406 0.255 1.00 1.00 H new ATOM 0 HB2 GLU A 7 16.273 -11.365 -0.138 1.00 1.00 H new ATOM 0 HB3 GLU A 7 16.408 -12.909 0.679 1.00 1.00 H new ATOM 0 HG2 GLU A 7 14.918 -13.973 -0.995 1.00 1.00 H new ATOM 0 HG3 GLU A 7 14.638 -12.427 -1.772 1.00 1.00 H new ATOM 108 N GLU A 8 14.335 -13.932 2.318 1.00 1.00 N ATOM 109 CA GLU A 8 13.770 -15.177 2.807 1.00 1.00 C ATOM 110 C GLU A 8 12.303 -14.990 3.178 1.00 1.00 C ATOM 111 O GLU A 8 11.518 -15.935 3.108 1.00 1.00 O ATOM 112 CB GLU A 8 14.546 -15.682 4.022 1.00 1.00 C ATOM 113 CG GLU A 8 14.566 -14.593 5.087 1.00 1.00 C ATOM 114 CD GLU A 8 15.370 -15.057 6.289 1.00 1.00 C ATOM 115 OE1 GLU A 8 15.338 -16.242 6.575 1.00 1.00 O ATOM 116 OE2 GLU A 8 15.998 -14.219 6.912 1.00 1.00 O ATOM 0 H GLU A 8 15.172 -13.626 2.814 1.00 1.00 H new ATOM 0 HA GLU A 8 13.844 -15.916 2.009 1.00 1.00 H new ATOM 0 HB2 GLU A 8 14.081 -16.586 4.416 1.00 1.00 H new ATOM 0 HB3 GLU A 8 15.564 -15.946 3.735 1.00 1.00 H new ATOM 0 HG2 GLU A 8 15.001 -13.681 4.678 1.00 1.00 H new ATOM 0 HG3 GLU A 8 13.548 -14.352 5.391 1.00 1.00 H new ATOM 123 N TYR A 9 11.920 -13.776 3.560 1.00 1.00 N ATOM 124 CA TYR A 9 10.530 -13.490 3.905 1.00 1.00 C ATOM 125 C TYR A 9 9.559 -14.031 2.821 1.00 1.00 C ATOM 126 O TYR A 9 8.342 -14.009 3.002 1.00 1.00 O ATOM 127 CB TYR A 9 10.346 -11.979 4.059 1.00 1.00 C ATOM 128 CG TYR A 9 10.980 -11.531 5.353 1.00 1.00 C ATOM 129 CD1 TYR A 9 12.372 -11.469 5.458 1.00 1.00 C ATOM 130 CD2 TYR A 9 10.179 -11.182 6.442 1.00 1.00 C ATOM 131 CE1 TYR A 9 12.967 -11.052 6.653 1.00 1.00 C ATOM 132 CE2 TYR A 9 10.772 -10.766 7.633 1.00 1.00 C ATOM 133 CZ TYR A 9 12.164 -10.696 7.740 1.00 1.00 C ATOM 134 OH TYR A 9 12.742 -10.274 8.919 1.00 1.00 O ATOM 0 H TYR A 9 12.549 -12.977 3.639 1.00 1.00 H new ATOM 0 HA TYR A 9 10.298 -13.990 4.845 1.00 1.00 H new ATOM 0 HB2 TYR A 9 10.802 -11.458 3.217 1.00 1.00 H new ATOM 0 HB3 TYR A 9 9.285 -11.727 4.054 1.00 1.00 H new ATOM 0 HD1 TYR A 9 12.989 -11.743 4.615 1.00 1.00 H new ATOM 0 HD2 TYR A 9 9.103 -11.234 6.362 1.00 1.00 H new ATOM 0 HE1 TYR A 9 14.043 -11.005 6.735 1.00 1.00 H new ATOM 0 HE2 TYR A 9 10.154 -10.497 8.476 1.00 1.00 H new ATOM 0 HH TYR A 9 12.041 -10.065 9.571 1.00 1.00 H new ATOM 144 N TYR A 10 10.090 -14.515 1.704 1.00 1.00 N ATOM 145 CA TYR A 10 9.270 -15.063 0.607 1.00 1.00 C ATOM 146 C TYR A 10 8.317 -16.177 1.105 1.00 1.00 C ATOM 147 O TYR A 10 8.541 -17.361 0.856 1.00 1.00 O ATOM 148 CB TYR A 10 10.205 -15.627 -0.484 1.00 1.00 C ATOM 149 CG TYR A 10 11.292 -16.564 0.098 1.00 1.00 C ATOM 150 CD1 TYR A 10 11.084 -17.333 1.269 1.00 1.00 C ATOM 151 CD2 TYR A 10 12.528 -16.670 -0.551 1.00 1.00 C ATOM 152 CE1 TYR A 10 12.065 -18.169 1.765 1.00 1.00 C ATOM 153 CE2 TYR A 10 13.518 -17.529 -0.032 1.00 1.00 C ATOM 154 CZ TYR A 10 13.268 -18.274 1.125 1.00 1.00 C ATOM 155 OH TYR A 10 14.225 -19.097 1.648 1.00 1.00 O ATOM 0 H TYR A 10 11.094 -14.543 1.525 1.00 1.00 H new ATOM 0 HA TYR A 10 8.655 -14.259 0.203 1.00 1.00 H new ATOM 0 HB2 TYR A 10 9.614 -16.173 -1.219 1.00 1.00 H new ATOM 0 HB3 TYR A 10 10.684 -14.802 -1.010 1.00 1.00 H new ATOM 0 HD1 TYR A 10 10.138 -17.264 1.785 1.00 1.00 H new ATOM 0 HD2 TYR A 10 12.722 -16.096 -1.445 1.00 1.00 H new ATOM 0 HE1 TYR A 10 11.881 -18.742 2.662 1.00 1.00 H new ATOM 0 HE2 TYR A 10 14.473 -17.612 -0.530 1.00 1.00 H new ATOM 0 HH TYR A 10 15.025 -19.069 1.083 1.00 1.00 H new ATOM 165 N LEU A 11 7.270 -15.809 1.837 1.00 1.00 N ATOM 166 CA LEU A 11 6.312 -16.775 2.388 1.00 1.00 C ATOM 167 C LEU A 11 4.920 -16.430 2.013 1.00 1.00 C ATOM 168 O LEU A 11 4.063 -17.280 1.771 1.00 1.00 O ATOM 169 CB LEU A 11 6.548 -16.912 3.906 1.00 1.00 C ATOM 170 CG LEU A 11 6.221 -15.579 4.658 1.00 1.00 C ATOM 171 CD1 LEU A 11 4.774 -15.612 5.184 1.00 1.00 C ATOM 172 CD2 LEU A 11 7.203 -15.355 5.829 1.00 1.00 C ATOM 0 H LEU A 11 7.058 -14.838 2.067 1.00 1.00 H new ATOM 0 HA LEU A 11 6.476 -17.760 1.951 1.00 1.00 H new ATOM 0 HB2 LEU A 11 5.927 -17.716 4.301 1.00 1.00 H new ATOM 0 HB3 LEU A 11 7.586 -17.190 4.091 1.00 1.00 H new ATOM 0 HG LEU A 11 6.329 -14.753 3.955 1.00 1.00 H new ATOM 0 HD11 LEU A 11 4.555 -14.680 5.706 1.00 1.00 H new ATOM 0 HD12 LEU A 11 4.085 -15.730 4.347 1.00 1.00 H new ATOM 0 HD13 LEU A 11 4.656 -16.449 5.872 1.00 1.00 H new ATOM 0 HD21 LEU A 11 6.957 -14.423 6.337 1.00 1.00 H new ATOM 0 HD22 LEU A 11 7.125 -16.184 6.533 1.00 1.00 H new ATOM 0 HD23 LEU A 11 8.221 -15.300 5.444 1.00 1.00 H new ATOM 184 N GLU A 12 4.707 -15.117 2.023 1.00 1.00 N ATOM 185 CA GLU A 12 3.400 -14.576 1.779 1.00 1.00 C ATOM 186 C GLU A 12 2.835 -15.154 0.516 1.00 1.00 C ATOM 187 O GLU A 12 1.696 -15.622 0.510 1.00 1.00 O ATOM 188 CB GLU A 12 3.489 -13.043 1.661 1.00 1.00 C ATOM 189 CG GLU A 12 3.931 -12.398 3.004 1.00 1.00 C ATOM 190 CD GLU A 12 5.458 -12.400 3.156 1.00 1.00 C ATOM 191 OE1 GLU A 12 6.122 -12.964 2.303 1.00 1.00 O ATOM 192 OE2 GLU A 12 5.940 -11.828 4.122 1.00 1.00 O ATOM 0 H GLU A 12 5.430 -14.420 2.199 1.00 1.00 H new ATOM 0 HA GLU A 12 2.744 -14.835 2.610 1.00 1.00 H new ATOM 0 HB2 GLU A 12 4.198 -12.777 0.877 1.00 1.00 H new ATOM 0 HB3 GLU A 12 2.520 -12.642 1.364 1.00 1.00 H new ATOM 0 HG2 GLU A 12 3.561 -11.374 3.056 1.00 1.00 H new ATOM 0 HG3 GLU A 12 3.481 -12.942 3.835 1.00 1.00 H new ATOM 199 N GLY A 13 3.648 -15.129 -0.534 1.00 1.00 N ATOM 200 CA GLY A 13 3.239 -15.670 -1.828 1.00 1.00 C ATOM 201 C GLY A 13 2.259 -16.831 -1.657 1.00 1.00 C ATOM 202 O GLY A 13 1.139 -16.776 -2.163 1.00 1.00 O ATOM 0 H GLY A 13 4.591 -14.742 -0.517 1.00 1.00 H new ATOM 0 HA2 GLY A 13 2.775 -14.884 -2.424 1.00 1.00 H new ATOM 0 HA3 GLY A 13 4.117 -16.010 -2.377 1.00 1.00 H new ATOM 206 N VAL A 14 2.663 -17.863 -0.921 1.00 1.00 N ATOM 207 CA VAL A 14 1.780 -18.991 -0.671 1.00 1.00 C ATOM 208 C VAL A 14 0.563 -18.551 0.133 1.00 1.00 C ATOM 209 O VAL A 14 -0.574 -18.780 -0.278 1.00 1.00 O ATOM 210 CB VAL A 14 2.533 -20.067 0.130 1.00 1.00 C ATOM 211 CG1 VAL A 14 1.597 -21.231 0.485 1.00 1.00 C ATOM 212 CG2 VAL A 14 3.697 -20.586 -0.706 1.00 1.00 C ATOM 0 H VAL A 14 3.586 -17.939 -0.493 1.00 1.00 H new ATOM 0 HA VAL A 14 1.454 -19.391 -1.631 1.00 1.00 H new ATOM 0 HB VAL A 14 2.904 -19.626 1.055 1.00 1.00 H new ATOM 0 HG11 VAL A 14 2.148 -21.982 1.051 1.00 1.00 H new ATOM 0 HG12 VAL A 14 0.767 -20.860 1.086 1.00 1.00 H new ATOM 0 HG13 VAL A 14 1.210 -21.679 -0.430 1.00 1.00 H new ATOM 0 HG21 VAL A 14 4.236 -21.349 -0.145 1.00 1.00 H new ATOM 0 HG22 VAL A 14 3.316 -21.017 -1.632 1.00 1.00 H new ATOM 0 HG23 VAL A 14 4.372 -19.763 -0.940 1.00 1.00 H new ATOM 222 N LEU A 15 0.793 -17.925 1.283 1.00 1.00 N ATOM 223 CA LEU A 15 -0.301 -17.483 2.148 1.00 1.00 C ATOM 224 C LEU A 15 -1.409 -16.839 1.331 1.00 1.00 C ATOM 225 O LEU A 15 -2.441 -17.465 1.096 1.00 1.00 O ATOM 226 CB LEU A 15 0.196 -16.468 3.192 1.00 1.00 C ATOM 227 CG LEU A 15 1.386 -17.015 4.015 1.00 1.00 C ATOM 228 CD1 LEU A 15 1.649 -16.096 5.226 1.00 1.00 C ATOM 229 CD2 LEU A 15 1.093 -18.444 4.512 1.00 1.00 C ATOM 0 H LEU A 15 1.725 -17.712 1.639 1.00 1.00 H new ATOM 0 HA LEU A 15 -0.687 -18.366 2.657 1.00 1.00 H new ATOM 0 HB2 LEU A 15 0.496 -15.549 2.689 1.00 1.00 H new ATOM 0 HB3 LEU A 15 -0.622 -16.211 3.865 1.00 1.00 H new ATOM 0 HG LEU A 15 2.266 -17.040 3.373 1.00 1.00 H new ATOM 0 HD11 LEU A 15 2.488 -16.485 5.803 1.00 1.00 H new ATOM 0 HD12 LEU A 15 1.885 -15.091 4.876 1.00 1.00 H new ATOM 0 HD13 LEU A 15 0.760 -16.061 5.856 1.00 1.00 H new ATOM 0 HD21 LEU A 15 1.943 -18.810 5.089 1.00 1.00 H new ATOM 0 HD22 LEU A 15 0.204 -18.435 5.142 1.00 1.00 H new ATOM 0 HD23 LEU A 15 0.925 -19.099 3.657 1.00 1.00 H new ATOM 241 N GLN A 16 -1.196 -15.608 0.877 1.00 1.00 N ATOM 242 CA GLN A 16 -2.217 -14.915 0.095 1.00 1.00 C ATOM 243 C GLN A 16 -2.834 -15.863 -0.936 1.00 1.00 C ATOM 244 O GLN A 16 -4.034 -16.135 -0.898 1.00 1.00 O ATOM 245 CB GLN A 16 -1.557 -13.739 -0.648 1.00 1.00 C ATOM 246 CG GLN A 16 -2.619 -12.906 -1.379 1.00 1.00 C ATOM 247 CD GLN A 16 -1.961 -11.781 -2.172 1.00 1.00 C ATOM 248 OE1 GLN A 16 -1.165 -12.037 -3.077 1.00 1.00 O ATOM 249 NE2 GLN A 16 -2.255 -10.540 -1.890 1.00 1.00 N ATOM 0 H GLN A 16 -0.340 -15.075 1.033 1.00 1.00 H new ATOM 0 HA GLN A 16 -2.999 -14.559 0.765 1.00 1.00 H new ATOM 0 HB2 GLN A 16 -1.016 -13.111 0.060 1.00 1.00 H new ATOM 0 HB3 GLN A 16 -0.826 -14.116 -1.363 1.00 1.00 H new ATOM 0 HG2 GLN A 16 -3.193 -13.545 -2.050 1.00 1.00 H new ATOM 0 HG3 GLN A 16 -3.322 -12.488 -0.658 1.00 1.00 H new ATOM 0 HE21 GLN A 16 -2.914 -10.330 -1.141 1.00 1.00 H new ATOM 0 HE22 GLN A 16 -1.825 -9.781 -2.419 1.00 1.00 H new ATOM 258 N TYR A 17 -2.027 -16.400 -1.845 1.00 1.00 N ATOM 259 CA TYR A 17 -2.535 -17.336 -2.850 1.00 1.00 C ATOM 260 C TYR A 17 -3.486 -18.365 -2.209 1.00 1.00 C ATOM 261 O TYR A 17 -4.665 -18.403 -2.557 1.00 1.00 O ATOM 262 CB TYR A 17 -1.341 -18.095 -3.485 1.00 1.00 C ATOM 263 CG TYR A 17 -0.745 -17.289 -4.627 1.00 1.00 C ATOM 264 CD1 TYR A 17 -0.326 -15.969 -4.407 1.00 1.00 C ATOM 265 CD2 TYR A 17 -0.619 -17.856 -5.907 1.00 1.00 C ATOM 266 CE1 TYR A 17 0.207 -15.222 -5.461 1.00 1.00 C ATOM 267 CE2 TYR A 17 -0.083 -17.108 -6.953 1.00 1.00 C ATOM 268 CZ TYR A 17 0.330 -15.792 -6.731 1.00 1.00 C ATOM 269 OH TYR A 17 0.850 -15.055 -7.770 1.00 1.00 O ATOM 0 H TYR A 17 -1.027 -16.208 -1.909 1.00 1.00 H new ATOM 0 HA TYR A 17 -3.080 -16.771 -3.606 1.00 1.00 H new ATOM 0 HB2 TYR A 17 -0.579 -18.284 -2.729 1.00 1.00 H new ATOM 0 HB3 TYR A 17 -1.673 -19.066 -3.852 1.00 1.00 H new ATOM 0 HD1 TYR A 17 -0.415 -15.530 -3.424 1.00 1.00 H new ATOM 0 HD2 TYR A 17 -0.938 -18.873 -6.080 1.00 1.00 H new ATOM 0 HE1 TYR A 17 0.524 -14.203 -5.294 1.00 1.00 H new ATOM 0 HE2 TYR A 17 0.013 -17.546 -7.936 1.00 1.00 H new ATOM 0 HH TYR A 17 0.866 -15.602 -8.583 1.00 1.00 H new ATOM 279 N ASP A 18 -2.969 -19.172 -1.288 1.00 1.00 N ATOM 280 CA ASP A 18 -3.786 -20.177 -0.624 1.00 1.00 C ATOM 281 C ASP A 18 -4.798 -19.503 0.292 1.00 1.00 C ATOM 282 O ASP A 18 -5.965 -19.341 -0.067 1.00 1.00 O ATOM 283 CB ASP A 18 -2.897 -21.121 0.197 1.00 1.00 C ATOM 284 CG ASP A 18 -1.992 -21.931 -0.727 1.00 1.00 C ATOM 285 OD1 ASP A 18 -1.934 -21.607 -1.903 1.00 1.00 O ATOM 286 OD2 ASP A 18 -1.372 -22.865 -0.246 1.00 1.00 O ATOM 0 H ASP A 18 -1.995 -19.149 -0.987 1.00 1.00 H new ATOM 0 HA ASP A 18 -4.316 -20.754 -1.382 1.00 1.00 H new ATOM 0 HB2 ASP A 18 -2.292 -20.545 0.897 1.00 1.00 H new ATOM 0 HB3 ASP A 18 -3.518 -21.793 0.790 1.00 1.00 H new ATOM 291 N ALA A 19 -4.342 -19.109 1.477 1.00 1.00 N ATOM 292 CA ALA A 19 -5.205 -18.440 2.465 1.00 1.00 C ATOM 293 C ALA A 19 -4.908 -16.947 2.513 1.00 1.00 C ATOM 294 O ALA A 19 -3.754 -16.524 2.589 1.00 1.00 O ATOM 295 CB ALA A 19 -4.979 -19.047 3.848 1.00 1.00 C ATOM 0 H ALA A 19 -3.378 -19.239 1.784 1.00 1.00 H new ATOM 0 HA ALA A 19 -6.244 -18.584 2.167 1.00 1.00 H new ATOM 0 HB1 ALA A 19 -5.621 -18.547 4.574 1.00 1.00 H new ATOM 0 HB2 ALA A 19 -5.219 -20.110 3.822 1.00 1.00 H new ATOM 0 HB3 ALA A 19 -3.936 -18.918 4.136 1.00 1.00 H new ATOM 301 N GLY A 20 -5.954 -16.127 2.461 1.00 1.00 N ATOM 302 CA GLY A 20 -5.807 -14.662 2.493 1.00 1.00 C ATOM 303 C GLY A 20 -4.619 -14.221 3.348 1.00 1.00 C ATOM 304 O GLY A 20 -3.600 -13.770 2.824 1.00 1.00 O ATOM 0 H GLY A 20 -6.920 -16.447 2.396 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -5.680 -14.289 1.477 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -6.721 -14.215 2.885 1.00 1.00 H new ATOM 308 N ASN A 21 -4.742 -14.369 4.664 1.00 1.00 N ATOM 309 CA ASN A 21 -3.665 -14.000 5.573 1.00 1.00 C ATOM 310 C ASN A 21 -3.172 -12.593 5.260 1.00 1.00 C ATOM 311 O ASN A 21 -1.990 -12.291 5.431 1.00 1.00 O ATOM 312 CB ASN A 21 -2.524 -14.998 5.405 1.00 1.00 C ATOM 313 CG ASN A 21 -2.888 -16.354 6.019 1.00 1.00 C ATOM 314 OD1 ASN A 21 -3.775 -16.431 6.871 1.00 1.00 O ATOM 315 ND2 ASN A 21 -2.256 -17.434 5.636 1.00 1.00 N ATOM 0 H ASN A 21 -5.574 -14.741 5.122 1.00 1.00 H new ATOM 0 HA ASN A 21 -4.029 -14.017 6.600 1.00 1.00 H new ATOM 0 HB2 ASN A 21 -2.298 -15.123 4.346 1.00 1.00 H new ATOM 0 HB3 ASN A 21 -1.623 -14.610 5.880 1.00 1.00 H new ATOM 0 HD21 ASN A 21 -2.498 -18.338 6.043 1.00 1.00 H new ATOM 0 HD22 ASN A 21 -1.522 -17.372 4.931 1.00 1.00 H new ATOM 322 N TYR A 22 -4.091 -11.745 4.809 1.00 1.00 N ATOM 323 CA TYR A 22 -3.727 -10.389 4.470 1.00 1.00 C ATOM 324 C TYR A 22 -3.211 -9.660 5.705 1.00 1.00 C ATOM 325 O TYR A 22 -2.141 -9.052 5.680 1.00 1.00 O ATOM 326 CB TYR A 22 -4.946 -9.653 3.908 1.00 1.00 C ATOM 327 CG TYR A 22 -5.328 -10.233 2.561 1.00 1.00 C ATOM 328 CD1 TYR A 22 -4.752 -9.723 1.393 1.00 1.00 C ATOM 329 CD2 TYR A 22 -6.263 -11.276 2.481 1.00 1.00 C ATOM 330 CE1 TYR A 22 -5.107 -10.252 0.146 1.00 1.00 C ATOM 331 CE2 TYR A 22 -6.619 -11.804 1.233 1.00 1.00 C ATOM 332 CZ TYR A 22 -6.040 -11.292 0.066 1.00 1.00 C ATOM 333 OH TYR A 22 -6.391 -11.812 -1.163 1.00 1.00 O ATOM 0 H TYR A 22 -5.076 -11.975 4.674 1.00 1.00 H new ATOM 0 HA TYR A 22 -2.939 -10.411 3.717 1.00 1.00 H new ATOM 0 HB2 TYR A 22 -5.783 -9.739 4.600 1.00 1.00 H new ATOM 0 HB3 TYR A 22 -4.724 -8.591 3.806 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -4.032 -8.920 1.453 1.00 1.00 H new ATOM 0 HD2 TYR A 22 -6.708 -11.672 3.382 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -4.660 -9.857 -0.755 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -7.340 -12.606 1.171 1.00 1.00 H new ATOM 0 HH TYR A 22 -7.049 -12.528 -1.040 1.00 1.00 H new ATOM 343 N THR A 23 -3.988 -9.736 6.781 1.00 1.00 N ATOM 344 CA THR A 23 -3.606 -9.091 8.027 1.00 1.00 C ATOM 345 C THR A 23 -2.352 -9.745 8.598 1.00 1.00 C ATOM 346 O THR A 23 -1.410 -9.062 9.000 1.00 1.00 O ATOM 347 CB THR A 23 -4.753 -9.183 9.045 1.00 1.00 C ATOM 348 OG1 THR A 23 -5.961 -8.763 8.428 1.00 1.00 O ATOM 349 CG2 THR A 23 -4.456 -8.286 10.251 1.00 1.00 C ATOM 0 H THR A 23 -4.878 -10.234 6.813 1.00 1.00 H new ATOM 0 HA THR A 23 -3.395 -8.041 7.824 1.00 1.00 H new ATOM 0 HB THR A 23 -4.851 -10.214 9.385 1.00 1.00 H new ATOM 0 HG1 THR A 23 -6.696 -8.822 9.074 1.00 1.00 H new ATOM 0 HG21 THR A 23 -5.274 -8.357 10.968 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.529 -8.609 10.725 1.00 1.00 H new ATOM 0 HG23 THR A 23 -4.353 -7.253 9.919 1.00 1.00 H new ATOM 357 N GLU A 24 -2.334 -11.073 8.641 1.00 1.00 N ATOM 358 CA GLU A 24 -1.187 -11.800 9.181 1.00 1.00 C ATOM 359 C GLU A 24 0.098 -11.403 8.452 1.00 1.00 C ATOM 360 O GLU A 24 1.164 -11.320 9.063 1.00 1.00 O ATOM 361 CB GLU A 24 -1.407 -13.310 9.039 1.00 1.00 C ATOM 362 CG GLU A 24 -0.331 -14.076 9.824 1.00 1.00 C ATOM 363 CD GLU A 24 -0.563 -13.921 11.325 1.00 1.00 C ATOM 364 OE1 GLU A 24 -1.595 -13.386 11.694 1.00 1.00 O ATOM 365 OE2 GLU A 24 0.299 -14.337 12.082 1.00 1.00 O ATOM 0 H GLU A 24 -3.095 -11.666 8.311 1.00 1.00 H new ATOM 0 HA GLU A 24 -1.088 -11.543 10.236 1.00 1.00 H new ATOM 0 HB2 GLU A 24 -2.397 -13.577 9.408 1.00 1.00 H new ATOM 0 HB3 GLU A 24 -1.372 -13.593 7.987 1.00 1.00 H new ATOM 0 HG2 GLU A 24 -0.354 -15.131 9.552 1.00 1.00 H new ATOM 0 HG3 GLU A 24 0.658 -13.701 9.561 1.00 1.00 H new ATOM 372 N SER A 25 -0.015 -11.158 7.151 1.00 1.00 N ATOM 373 CA SER A 25 1.149 -10.780 6.358 1.00 1.00 C ATOM 374 C SER A 25 1.711 -9.436 6.836 1.00 1.00 C ATOM 375 O SER A 25 2.885 -9.128 6.637 1.00 1.00 O ATOM 376 CB SER A 25 0.772 -10.675 4.880 1.00 1.00 C ATOM 377 OG SER A 25 0.005 -9.493 4.669 1.00 1.00 O ATOM 0 H SER A 25 -0.889 -11.213 6.628 1.00 1.00 H new ATOM 0 HA SER A 25 1.910 -11.550 6.483 1.00 1.00 H new ATOM 0 HB2 SER A 25 1.672 -10.652 4.265 1.00 1.00 H new ATOM 0 HB3 SER A 25 0.200 -11.552 4.576 1.00 1.00 H new ATOM 0 HG SER A 25 -0.705 -9.440 5.342 1.00 1.00 H new ATOM 383 N ILE A 26 0.864 -8.623 7.460 1.00 1.00 N ATOM 384 CA ILE A 26 1.286 -7.306 7.946 1.00 1.00 C ATOM 385 C ILE A 26 2.453 -7.445 8.924 1.00 1.00 C ATOM 386 O ILE A 26 3.355 -6.609 8.975 1.00 1.00 O ATOM 387 CB ILE A 26 0.091 -6.565 8.638 1.00 1.00 C ATOM 388 CG1 ILE A 26 0.246 -5.017 8.475 1.00 1.00 C ATOM 389 CG2 ILE A 26 0.015 -6.915 10.153 1.00 1.00 C ATOM 390 CD1 ILE A 26 -0.362 -4.554 7.144 1.00 1.00 C ATOM 0 H ILE A 26 -0.114 -8.848 7.642 1.00 1.00 H new ATOM 0 HA ILE A 26 1.614 -6.716 7.090 1.00 1.00 H new ATOM 0 HB ILE A 26 -0.828 -6.895 8.155 1.00 1.00 H new ATOM 0 HG12 ILE A 26 -0.246 -4.507 9.303 1.00 1.00 H new ATOM 0 HG13 ILE A 26 1.301 -4.745 8.514 1.00 1.00 H new ATOM 0 HG21 ILE A 26 -0.823 -6.387 10.607 1.00 1.00 H new ATOM 0 HG22 ILE A 26 -0.126 -7.989 10.272 1.00 1.00 H new ATOM 0 HG23 ILE A 26 0.941 -6.615 10.643 1.00 1.00 H new ATOM 0 HD11 ILE A 26 -0.246 -3.475 7.047 1.00 1.00 H new ATOM 0 HD12 ILE A 26 0.149 -5.050 6.319 1.00 1.00 H new ATOM 0 HD13 ILE A 26 -1.422 -4.808 7.120 1.00 1.00 H new ATOM 402 N ASP A 27 2.421 -8.517 9.709 1.00 1.00 N ATOM 403 CA ASP A 27 3.462 -8.741 10.688 1.00 1.00 C ATOM 404 C ASP A 27 4.783 -8.998 9.992 1.00 1.00 C ATOM 405 O ASP A 27 5.840 -8.603 10.485 1.00 1.00 O ATOM 406 CB ASP A 27 3.088 -9.934 11.575 1.00 1.00 C ATOM 407 CG ASP A 27 1.899 -9.576 12.467 1.00 1.00 C ATOM 408 OD1 ASP A 27 1.617 -8.397 12.607 1.00 1.00 O ATOM 409 OD2 ASP A 27 1.287 -10.489 12.996 1.00 1.00 O ATOM 0 H ASP A 27 1.694 -9.232 9.683 1.00 1.00 H new ATOM 0 HA ASP A 27 3.565 -7.853 11.312 1.00 1.00 H new ATOM 0 HB2 ASP A 27 2.840 -10.795 10.954 1.00 1.00 H new ATOM 0 HB3 ASP A 27 3.941 -10.220 12.191 1.00 1.00 H new ATOM 414 N LEU A 28 4.701 -9.668 8.847 1.00 1.00 N ATOM 415 CA LEU A 28 5.914 -9.980 8.095 1.00 1.00 C ATOM 416 C LEU A 28 6.475 -8.729 7.424 1.00 1.00 C ATOM 417 O LEU A 28 7.672 -8.455 7.519 1.00 1.00 O ATOM 418 CB LEU A 28 5.617 -11.057 7.038 1.00 1.00 C ATOM 419 CG LEU A 28 5.377 -12.436 7.699 1.00 1.00 C ATOM 420 CD1 LEU A 28 6.652 -12.963 8.396 1.00 1.00 C ATOM 421 CD2 LEU A 28 4.216 -12.366 8.707 1.00 1.00 C ATOM 0 H LEU A 28 3.832 -9.999 8.427 1.00 1.00 H new ATOM 0 HA LEU A 28 6.661 -10.359 8.792 1.00 1.00 H new ATOM 0 HB2 LEU A 28 4.739 -10.770 6.459 1.00 1.00 H new ATOM 0 HB3 LEU A 28 6.451 -11.125 6.340 1.00 1.00 H new ATOM 0 HG LEU A 28 5.113 -13.133 6.904 1.00 1.00 H new ATOM 0 HD11 LEU A 28 6.445 -13.933 8.848 1.00 1.00 H new ATOM 0 HD12 LEU A 28 7.451 -13.068 7.662 1.00 1.00 H new ATOM 0 HD13 LEU A 28 6.961 -12.260 9.170 1.00 1.00 H new ATOM 0 HD21 LEU A 28 4.066 -13.347 9.158 1.00 1.00 H new ATOM 0 HD22 LEU A 28 4.453 -11.641 9.485 1.00 1.00 H new ATOM 0 HD23 LEU A 28 3.305 -12.061 8.192 1.00 1.00 H new ATOM 433 N PHE A 29 5.607 -7.975 6.757 1.00 1.00 N ATOM 434 CA PHE A 29 6.049 -6.761 6.089 1.00 1.00 C ATOM 435 C PHE A 29 6.640 -5.783 7.107 1.00 1.00 C ATOM 436 O PHE A 29 7.676 -5.169 6.851 1.00 1.00 O ATOM 437 CB PHE A 29 4.877 -6.091 5.352 1.00 1.00 C ATOM 438 CG PHE A 29 4.512 -6.890 4.108 1.00 1.00 C ATOM 439 CD1 PHE A 29 5.415 -6.956 3.034 1.00 1.00 C ATOM 440 CD2 PHE A 29 3.274 -7.550 4.017 1.00 1.00 C ATOM 441 CE1 PHE A 29 5.079 -7.675 1.875 1.00 1.00 C ATOM 442 CE2 PHE A 29 2.944 -8.269 2.861 1.00 1.00 C ATOM 443 CZ PHE A 29 3.846 -8.332 1.792 1.00 1.00 C ATOM 0 H PHE A 29 4.612 -8.179 6.666 1.00 1.00 H new ATOM 0 HA PHE A 29 6.815 -7.031 5.362 1.00 1.00 H new ATOM 0 HB2 PHE A 29 4.014 -6.021 6.014 1.00 1.00 H new ATOM 0 HB3 PHE A 29 5.148 -5.073 5.073 1.00 1.00 H new ATOM 0 HD1 PHE A 29 6.369 -6.453 3.099 1.00 1.00 H new ATOM 0 HD2 PHE A 29 2.576 -7.503 4.840 1.00 1.00 H new ATOM 0 HE1 PHE A 29 5.772 -7.721 1.048 1.00 1.00 H new ATOM 0 HE2 PHE A 29 1.992 -8.775 2.794 1.00 1.00 H new ATOM 0 HZ PHE A 29 3.590 -8.888 0.902 1.00 1.00 H new ATOM 453 N GLU A 30 5.975 -5.645 8.250 1.00 1.00 N ATOM 454 CA GLU A 30 6.451 -4.724 9.282 1.00 1.00 C ATOM 455 C GLU A 30 7.899 -5.046 9.668 1.00 1.00 C ATOM 456 O GLU A 30 8.694 -4.145 9.933 1.00 1.00 O ATOM 457 CB GLU A 30 5.547 -4.822 10.519 1.00 1.00 C ATOM 458 CG GLU A 30 5.861 -3.676 11.493 1.00 1.00 C ATOM 459 CD GLU A 30 5.357 -2.348 10.929 1.00 1.00 C ATOM 460 OE1 GLU A 30 4.687 -2.374 9.910 1.00 1.00 O ATOM 461 OE2 GLU A 30 5.650 -1.326 11.527 1.00 1.00 O ATOM 0 H GLU A 30 5.120 -6.148 8.485 1.00 1.00 H new ATOM 0 HA GLU A 30 6.417 -3.709 8.886 1.00 1.00 H new ATOM 0 HB2 GLU A 30 4.500 -4.778 10.219 1.00 1.00 H new ATOM 0 HB3 GLU A 30 5.697 -5.782 11.014 1.00 1.00 H new ATOM 0 HG2 GLU A 30 5.392 -3.871 12.458 1.00 1.00 H new ATOM 0 HG3 GLU A 30 6.936 -3.621 11.666 1.00 1.00 H new ATOM 468 N LYS A 31 8.222 -6.335 9.692 1.00 1.00 N ATOM 469 CA LYS A 31 9.580 -6.767 10.040 1.00 1.00 C ATOM 470 C LYS A 31 10.565 -6.440 8.914 1.00 1.00 C ATOM 471 O LYS A 31 11.688 -6.002 9.170 1.00 1.00 O ATOM 472 CB LYS A 31 9.594 -8.273 10.332 1.00 1.00 C ATOM 473 CG LYS A 31 8.896 -8.559 11.672 1.00 1.00 C ATOM 474 CD LYS A 31 9.003 -10.056 12.025 1.00 1.00 C ATOM 475 CE LYS A 31 8.100 -10.910 11.128 1.00 1.00 C ATOM 476 NZ LYS A 31 8.024 -12.290 11.685 1.00 1.00 N ATOM 0 H LYS A 31 7.575 -7.094 9.478 1.00 1.00 H new ATOM 0 HA LYS A 31 9.892 -6.226 10.933 1.00 1.00 H new ATOM 0 HB2 LYS A 31 9.091 -8.812 9.529 1.00 1.00 H new ATOM 0 HB3 LYS A 31 10.621 -8.635 10.364 1.00 1.00 H new ATOM 0 HG2 LYS A 31 9.350 -7.959 12.461 1.00 1.00 H new ATOM 0 HG3 LYS A 31 7.848 -8.267 11.613 1.00 1.00 H new ATOM 0 HD2 LYS A 31 10.037 -10.383 11.919 1.00 1.00 H new ATOM 0 HD3 LYS A 31 8.727 -10.206 13.069 1.00 1.00 H new ATOM 0 HE2 LYS A 31 7.104 -10.472 11.072 1.00 1.00 H new ATOM 0 HE3 LYS A 31 8.495 -10.936 10.112 1.00 1.00 H new ATOM 0 HZ1 LYS A 31 7.221 -12.793 11.257 1.00 1.00 H new ATOM 0 HZ2 LYS A 31 8.905 -12.799 11.472 1.00 1.00 H new ATOM 0 HZ3 LYS A 31 7.893 -12.242 12.716 1.00 1.00 H new ATOM 490 N ALA A 32 10.133 -6.656 7.676 1.00 1.00 N ATOM 491 CA ALA A 32 10.994 -6.386 6.530 1.00 1.00 C ATOM 492 C ALA A 32 11.505 -4.943 6.577 1.00 1.00 C ATOM 493 O ALA A 32 12.690 -4.691 6.361 1.00 1.00 O ATOM 494 CB ALA A 32 10.208 -6.629 5.234 1.00 1.00 C ATOM 0 H ALA A 32 9.206 -7.012 7.442 1.00 1.00 H new ATOM 0 HA ALA A 32 11.854 -7.056 6.561 1.00 1.00 H new ATOM 0 HB1 ALA A 32 10.850 -6.428 4.376 1.00 1.00 H new ATOM 0 HB2 ALA A 32 9.872 -7.666 5.201 1.00 1.00 H new ATOM 0 HB3 ALA A 32 9.343 -5.966 5.203 1.00 1.00 H new ATOM 500 N ILE A 33 10.594 -4.015 6.853 1.00 1.00 N ATOM 501 CA ILE A 33 10.941 -2.596 6.934 1.00 1.00 C ATOM 502 C ILE A 33 11.868 -2.344 8.125 1.00 1.00 C ATOM 503 O ILE A 33 12.677 -1.417 8.124 1.00 1.00 O ATOM 504 CB ILE A 33 9.673 -1.740 7.067 1.00 1.00 C ATOM 505 CG1 ILE A 33 8.690 -2.146 5.967 1.00 1.00 C ATOM 506 CG2 ILE A 33 10.036 -0.253 6.885 1.00 1.00 C ATOM 507 CD1 ILE A 33 7.344 -1.405 6.141 1.00 1.00 C ATOM 0 H ILE A 33 9.609 -4.218 7.025 1.00 1.00 H new ATOM 0 HA ILE A 33 11.459 -2.315 6.017 1.00 1.00 H new ATOM 0 HB ILE A 33 9.227 -1.891 8.050 1.00 1.00 H new ATOM 0 HG12 ILE A 33 9.114 -1.916 4.990 1.00 1.00 H new ATOM 0 HG13 ILE A 33 8.525 -3.223 5.998 1.00 1.00 H new ATOM 0 HG21 ILE A 33 9.136 0.355 6.979 1.00 1.00 H new ATOM 0 HG22 ILE A 33 10.755 0.042 7.649 1.00 1.00 H new ATOM 0 HG23 ILE A 33 10.473 -0.103 5.898 1.00 1.00 H new ATOM 0 HD11 ILE A 33 6.658 -1.706 5.350 1.00 1.00 H new ATOM 0 HD12 ILE A 33 6.913 -1.656 7.110 1.00 1.00 H new ATOM 0 HD13 ILE A 33 7.511 -0.329 6.086 1.00 1.00 H new ATOM 519 N GLN A 34 11.740 -3.169 9.159 1.00 1.00 N ATOM 520 CA GLN A 34 12.560 -3.017 10.356 1.00 1.00 C ATOM 521 C GLN A 34 14.009 -3.386 10.060 1.00 1.00 C ATOM 522 O GLN A 34 14.930 -2.797 10.627 1.00 1.00 O ATOM 523 CB GLN A 34 12.005 -3.906 11.476 1.00 1.00 C ATOM 524 CG GLN A 34 12.742 -3.627 12.786 1.00 1.00 C ATOM 525 CD GLN A 34 12.154 -4.503 13.891 1.00 1.00 C ATOM 526 OE1 GLN A 34 11.063 -5.050 13.730 1.00 1.00 O ATOM 527 NE2 GLN A 34 12.810 -4.670 15.006 1.00 1.00 N ATOM 0 H GLN A 34 11.080 -3.946 9.193 1.00 1.00 H new ATOM 0 HA GLN A 34 12.530 -1.975 10.676 1.00 1.00 H new ATOM 0 HB2 GLN A 34 10.939 -3.720 11.603 1.00 1.00 H new ATOM 0 HB3 GLN A 34 12.115 -4.956 11.205 1.00 1.00 H new ATOM 0 HG2 GLN A 34 13.806 -3.833 12.669 1.00 1.00 H new ATOM 0 HG3 GLN A 34 12.649 -2.574 13.052 1.00 1.00 H new ATOM 0 HE21 GLN A 34 13.714 -4.216 15.139 1.00 1.00 H new ATOM 0 HE22 GLN A 34 12.419 -5.254 15.745 1.00 1.00 H new ATOM 536 N LEU A 35 14.189 -4.358 9.171 1.00 1.00 N ATOM 537 CA LEU A 35 15.536 -4.792 8.815 1.00 1.00 C ATOM 538 C LEU A 35 16.272 -3.690 8.056 1.00 1.00 C ATOM 539 O LEU A 35 17.418 -3.364 8.371 1.00 1.00 O ATOM 540 CB LEU A 35 15.468 -6.087 7.958 1.00 1.00 C ATOM 541 CG LEU A 35 15.484 -7.347 8.851 1.00 1.00 C ATOM 542 CD1 LEU A 35 14.195 -7.443 9.673 1.00 1.00 C ATOM 543 CD2 LEU A 35 15.609 -8.588 7.966 1.00 1.00 C ATOM 0 H LEU A 35 13.436 -4.852 8.692 1.00 1.00 H new ATOM 0 HA LEU A 35 16.088 -5.004 9.731 1.00 1.00 H new ATOM 0 HB2 LEU A 35 14.562 -6.079 7.352 1.00 1.00 H new ATOM 0 HB3 LEU A 35 16.312 -6.115 7.269 1.00 1.00 H new ATOM 0 HG LEU A 35 16.331 -7.283 9.534 1.00 1.00 H new ATOM 0 HD11 LEU A 35 14.226 -8.337 10.295 1.00 1.00 H new ATOM 0 HD12 LEU A 35 14.102 -6.562 10.308 1.00 1.00 H new ATOM 0 HD13 LEU A 35 13.338 -7.498 9.001 1.00 1.00 H new ATOM 0 HD21 LEU A 35 15.621 -9.481 8.591 1.00 1.00 H new ATOM 0 HD22 LEU A 35 14.761 -8.635 7.283 1.00 1.00 H new ATOM 0 HD23 LEU A 35 16.534 -8.534 7.393 1.00 1.00 H new ATOM 555 N ASP A 36 15.606 -3.116 7.061 1.00 1.00 N ATOM 556 CA ASP A 36 16.211 -2.058 6.266 1.00 1.00 C ATOM 557 C ASP A 36 15.186 -1.479 5.256 1.00 1.00 C ATOM 558 O ASP A 36 14.799 -2.195 4.333 1.00 1.00 O ATOM 559 CB ASP A 36 17.423 -2.619 5.511 1.00 1.00 C ATOM 560 CG ASP A 36 17.044 -3.910 4.804 1.00 1.00 C ATOM 561 OD1 ASP A 36 16.564 -3.830 3.686 1.00 1.00 O ATOM 562 OD2 ASP A 36 17.239 -4.962 5.388 1.00 1.00 O ATOM 0 H ASP A 36 14.655 -3.364 6.788 1.00 1.00 H new ATOM 0 HA ASP A 36 16.530 -1.256 6.931 1.00 1.00 H new ATOM 0 HB2 ASP A 36 17.779 -1.888 4.785 1.00 1.00 H new ATOM 0 HB3 ASP A 36 18.242 -2.803 6.207 1.00 1.00 H new ATOM 567 N PRO A 37 14.777 -0.249 5.405 1.00 1.00 N ATOM 568 CA PRO A 37 13.795 0.361 4.451 1.00 1.00 C ATOM 569 C PRO A 37 14.486 0.909 3.187 1.00 1.00 C ATOM 570 O PRO A 37 15.468 0.343 2.709 1.00 1.00 O ATOM 571 CB PRO A 37 13.158 1.464 5.311 1.00 1.00 C ATOM 572 CG PRO A 37 14.273 1.949 6.185 1.00 1.00 C ATOM 573 CD PRO A 37 15.161 0.722 6.463 1.00 1.00 C ATOM 0 HA PRO A 37 13.066 -0.344 4.053 1.00 1.00 H new ATOM 0 HB2 PRO A 37 12.759 2.269 4.693 1.00 1.00 H new ATOM 0 HB3 PRO A 37 12.329 1.076 5.903 1.00 1.00 H new ATOM 0 HG2 PRO A 37 14.841 2.737 5.691 1.00 1.00 H new ATOM 0 HG3 PRO A 37 13.886 2.369 7.114 1.00 1.00 H new ATOM 0 HD2 PRO A 37 16.220 0.975 6.407 1.00 1.00 H new ATOM 0 HD3 PRO A 37 14.982 0.318 7.459 1.00 1.00 H new ATOM 581 N GLU A 38 13.970 2.008 2.646 1.00 1.00 N ATOM 582 CA GLU A 38 14.539 2.639 1.445 1.00 1.00 C ATOM 583 C GLU A 38 14.119 1.879 0.183 1.00 1.00 C ATOM 584 O GLU A 38 14.863 1.809 -0.796 1.00 1.00 O ATOM 585 CB GLU A 38 16.088 2.685 1.541 1.00 1.00 C ATOM 586 CG GLU A 38 16.647 3.794 0.648 1.00 1.00 C ATOM 587 CD GLU A 38 18.172 3.823 0.754 1.00 1.00 C ATOM 588 OE1 GLU A 38 18.699 3.174 1.644 1.00 1.00 O ATOM 589 OE2 GLU A 38 18.786 4.494 -0.056 1.00 1.00 O ATOM 0 H GLU A 38 13.152 2.489 3.019 1.00 1.00 H new ATOM 0 HA GLU A 38 14.156 3.658 1.383 1.00 1.00 H new ATOM 0 HB2 GLU A 38 16.389 2.856 2.575 1.00 1.00 H new ATOM 0 HB3 GLU A 38 16.506 1.724 1.242 1.00 1.00 H new ATOM 0 HG2 GLU A 38 16.348 3.626 -0.387 1.00 1.00 H new ATOM 0 HG3 GLU A 38 16.234 4.757 0.947 1.00 1.00 H new ATOM 596 N GLU A 39 12.922 1.302 0.203 1.00 1.00 N ATOM 597 CA GLU A 39 12.412 0.542 -0.946 1.00 1.00 C ATOM 598 C GLU A 39 10.898 0.672 -1.021 1.00 1.00 C ATOM 599 O GLU A 39 10.173 -0.133 -0.435 1.00 1.00 O ATOM 600 CB GLU A 39 12.826 -0.948 -0.794 1.00 1.00 C ATOM 601 CG GLU A 39 14.110 -1.222 -1.573 1.00 1.00 C ATOM 602 CD GLU A 39 14.560 -2.663 -1.363 1.00 1.00 C ATOM 603 OE1 GLU A 39 13.832 -3.411 -0.728 1.00 1.00 O ATOM 604 OE2 GLU A 39 15.628 -2.999 -1.842 1.00 1.00 O ATOM 0 H GLU A 39 12.284 1.343 0.998 1.00 1.00 H new ATOM 0 HA GLU A 39 12.836 0.938 -1.869 1.00 1.00 H new ATOM 0 HB2 GLU A 39 12.974 -1.186 0.259 1.00 1.00 H new ATOM 0 HB3 GLU A 39 12.027 -1.594 -1.158 1.00 1.00 H new ATOM 0 HG2 GLU A 39 13.946 -1.036 -2.634 1.00 1.00 H new ATOM 0 HG3 GLU A 39 14.894 -0.538 -1.247 1.00 1.00 H new ATOM 611 N SER A 40 10.409 1.679 -1.736 1.00 1.00 N ATOM 612 CA SER A 40 8.984 1.894 -1.856 1.00 1.00 C ATOM 613 C SER A 40 8.264 0.606 -2.232 1.00 1.00 C ATOM 614 O SER A 40 7.093 0.404 -1.912 1.00 1.00 O ATOM 615 CB SER A 40 8.701 2.950 -2.907 1.00 1.00 C ATOM 616 OG SER A 40 9.384 4.141 -2.551 1.00 1.00 O ATOM 0 H SER A 40 10.984 2.355 -2.239 1.00 1.00 H new ATOM 0 HA SER A 40 8.615 2.231 -0.887 1.00 1.00 H new ATOM 0 HB2 SER A 40 9.029 2.605 -3.887 1.00 1.00 H new ATOM 0 HB3 SER A 40 7.629 3.136 -2.977 1.00 1.00 H new ATOM 0 HG SER A 40 9.210 4.832 -3.224 1.00 1.00 H new ATOM 622 N LYS A 41 8.976 -0.271 -2.933 1.00 1.00 N ATOM 623 CA LYS A 41 8.397 -1.537 -3.373 1.00 1.00 C ATOM 624 C LYS A 41 7.663 -2.229 -2.228 1.00 1.00 C ATOM 625 O LYS A 41 6.587 -2.797 -2.417 1.00 1.00 O ATOM 626 CB LYS A 41 9.499 -2.488 -3.875 1.00 1.00 C ATOM 627 CG LYS A 41 10.340 -1.824 -5.015 1.00 1.00 C ATOM 628 CD LYS A 41 11.689 -1.322 -4.473 1.00 1.00 C ATOM 629 CE LYS A 41 12.422 -0.545 -5.568 1.00 1.00 C ATOM 630 NZ LYS A 41 12.730 -1.459 -6.705 1.00 1.00 N ATOM 0 H LYS A 41 9.948 -0.131 -3.207 1.00 1.00 H new ATOM 0 HA LYS A 41 7.697 -1.311 -4.177 1.00 1.00 H new ATOM 0 HB2 LYS A 41 10.154 -2.760 -3.047 1.00 1.00 H new ATOM 0 HB3 LYS A 41 9.048 -3.410 -4.241 1.00 1.00 H new ATOM 0 HG2 LYS A 41 10.509 -2.544 -5.816 1.00 1.00 H new ATOM 0 HG3 LYS A 41 9.784 -0.992 -5.447 1.00 1.00 H new ATOM 0 HD2 LYS A 41 11.529 -0.683 -3.604 1.00 1.00 H new ATOM 0 HD3 LYS A 41 12.296 -2.165 -4.142 1.00 1.00 H new ATOM 0 HE2 LYS A 41 11.807 0.287 -5.912 1.00 1.00 H new ATOM 0 HE3 LYS A 41 13.343 -0.118 -5.171 1.00 1.00 H new ATOM 0 HZ1 LYS A 41 13.449 -1.022 -7.317 1.00 1.00 H new ATOM 0 HZ2 LYS A 41 13.091 -2.362 -6.337 1.00 1.00 H new ATOM 0 HZ3 LYS A 41 11.865 -1.631 -7.256 1.00 1.00 H new ATOM 644 N TYR A 42 8.217 -2.179 -1.020 1.00 1.00 N ATOM 645 CA TYR A 42 7.587 -2.817 0.136 1.00 1.00 C ATOM 646 C TYR A 42 6.445 -1.958 0.652 1.00 1.00 C ATOM 647 O TYR A 42 5.444 -2.450 1.173 1.00 1.00 O ATOM 648 CB TYR A 42 8.637 -3.053 1.263 1.00 1.00 C ATOM 649 CG TYR A 42 8.965 -1.761 2.030 1.00 1.00 C ATOM 650 CD1 TYR A 42 8.003 -1.162 2.854 1.00 1.00 C ATOM 651 CD2 TYR A 42 10.219 -1.150 1.892 1.00 1.00 C ATOM 652 CE1 TYR A 42 8.288 0.022 3.530 1.00 1.00 C ATOM 653 CE2 TYR A 42 10.502 0.045 2.568 1.00 1.00 C ATOM 654 CZ TYR A 42 9.529 0.633 3.383 1.00 1.00 C ATOM 655 OH TYR A 42 9.802 1.808 4.052 1.00 1.00 O ATOM 0 H TYR A 42 9.097 -1.706 -0.815 1.00 1.00 H new ATOM 0 HA TYR A 42 7.186 -3.782 -0.174 1.00 1.00 H new ATOM 0 HB2 TYR A 42 8.258 -3.801 1.960 1.00 1.00 H new ATOM 0 HB3 TYR A 42 9.551 -3.457 0.827 1.00 1.00 H new ATOM 0 HD1 TYR A 42 7.032 -1.622 2.966 1.00 1.00 H new ATOM 0 HD2 TYR A 42 10.971 -1.602 1.262 1.00 1.00 H new ATOM 0 HE1 TYR A 42 7.542 0.468 4.171 1.00 1.00 H new ATOM 0 HE2 TYR A 42 11.470 0.511 2.460 1.00 1.00 H new ATOM 0 HH TYR A 42 9.082 2.452 3.889 1.00 1.00 H new ATOM 665 N TRP A 43 6.617 -0.649 0.511 1.00 1.00 N ATOM 666 CA TRP A 43 5.615 0.297 1.010 1.00 1.00 C ATOM 667 C TRP A 43 4.378 0.258 0.124 1.00 1.00 C ATOM 668 O TRP A 43 3.247 0.291 0.607 1.00 1.00 O ATOM 669 CB TRP A 43 6.217 1.737 1.049 1.00 1.00 C ATOM 670 CG TRP A 43 6.426 2.228 2.452 1.00 1.00 C ATOM 671 CD1 TRP A 43 7.567 2.777 2.934 1.00 1.00 C ATOM 672 CD2 TRP A 43 5.474 2.244 3.538 1.00 1.00 C ATOM 673 NE1 TRP A 43 7.384 3.073 4.274 1.00 1.00 N ATOM 674 CE2 TRP A 43 6.098 2.770 4.687 1.00 1.00 C ATOM 675 CE3 TRP A 43 4.144 1.838 3.626 1.00 1.00 C ATOM 676 CZ2 TRP A 43 5.414 2.880 5.896 1.00 1.00 C ATOM 677 CZ3 TRP A 43 3.445 1.946 4.835 1.00 1.00 C ATOM 678 CH2 TRP A 43 4.082 2.464 5.972 1.00 1.00 C ATOM 0 H TRP A 43 7.426 -0.219 0.063 1.00 1.00 H new ATOM 0 HA TRP A 43 5.326 0.014 2.022 1.00 1.00 H new ATOM 0 HB2 TRP A 43 7.169 1.745 0.518 1.00 1.00 H new ATOM 0 HB3 TRP A 43 5.552 2.421 0.522 1.00 1.00 H new ATOM 0 HD1 TRP A 43 8.469 2.954 2.367 1.00 1.00 H new ATOM 0 HE1 TRP A 43 8.105 3.465 4.880 1.00 1.00 H new ATOM 0 HE3 TRP A 43 3.648 1.437 2.755 1.00 1.00 H new ATOM 0 HZ2 TRP A 43 5.909 3.283 6.767 1.00 1.00 H new ATOM 0 HZ3 TRP A 43 2.414 1.630 4.892 1.00 1.00 H new ATOM 0 HH2 TRP A 43 3.544 2.541 6.905 1.00 1.00 H new ATOM 689 N LEU A 44 4.617 0.179 -1.182 1.00 1.00 N ATOM 690 CA LEU A 44 3.518 0.150 -2.132 1.00 1.00 C ATOM 691 C LEU A 44 2.569 -0.984 -1.785 1.00 1.00 C ATOM 692 O LEU A 44 1.352 -0.804 -1.814 1.00 1.00 O ATOM 693 CB LEU A 44 4.089 -0.046 -3.554 1.00 1.00 C ATOM 694 CG LEU A 44 2.971 -0.348 -4.584 1.00 1.00 C ATOM 695 CD1 LEU A 44 2.114 0.893 -4.821 1.00 1.00 C ATOM 696 CD2 LEU A 44 3.584 -0.814 -5.906 1.00 1.00 C ATOM 0 H LEU A 44 5.547 0.135 -1.598 1.00 1.00 H new ATOM 0 HA LEU A 44 2.966 1.089 -2.090 1.00 1.00 H new ATOM 0 HB2 LEU A 44 4.629 0.851 -3.856 1.00 1.00 H new ATOM 0 HB3 LEU A 44 4.809 -0.865 -3.548 1.00 1.00 H new ATOM 0 HG LEU A 44 2.339 -1.141 -4.184 1.00 1.00 H new ATOM 0 HD11 LEU A 44 1.334 0.663 -5.547 1.00 1.00 H new ATOM 0 HD12 LEU A 44 1.656 1.204 -3.882 1.00 1.00 H new ATOM 0 HD13 LEU A 44 2.740 1.699 -5.204 1.00 1.00 H new ATOM 0 HD21 LEU A 44 2.789 -1.023 -6.622 1.00 1.00 H new ATOM 0 HD22 LEU A 44 4.232 -0.032 -6.302 1.00 1.00 H new ATOM 0 HD23 LEU A 44 4.168 -1.719 -5.737 1.00 1.00 H new ATOM 708 N MET A 45 3.132 -2.142 -1.458 1.00 1.00 N ATOM 709 CA MET A 45 2.309 -3.282 -1.129 1.00 1.00 C ATOM 710 C MET A 45 1.499 -3.017 0.129 1.00 1.00 C ATOM 711 O MET A 45 0.298 -3.286 0.169 1.00 1.00 O ATOM 712 CB MET A 45 3.199 -4.521 -0.934 1.00 1.00 C ATOM 713 CG MET A 45 3.823 -4.918 -2.278 1.00 1.00 C ATOM 714 SD MET A 45 4.884 -6.372 -2.049 1.00 1.00 S ATOM 715 CE MET A 45 5.662 -6.363 -3.685 1.00 1.00 C ATOM 0 H MET A 45 4.138 -2.308 -1.416 1.00 1.00 H new ATOM 0 HA MET A 45 1.614 -3.461 -1.950 1.00 1.00 H new ATOM 0 HB2 MET A 45 3.982 -4.309 -0.206 1.00 1.00 H new ATOM 0 HB3 MET A 45 2.609 -5.347 -0.536 1.00 1.00 H new ATOM 0 HG2 MET A 45 3.040 -5.137 -3.004 1.00 1.00 H new ATOM 0 HG3 MET A 45 4.406 -4.089 -2.679 1.00 1.00 H new ATOM 0 HE1 MET A 45 6.365 -7.193 -3.758 1.00 1.00 H new ATOM 0 HE2 MET A 45 4.896 -6.468 -4.453 1.00 1.00 H new ATOM 0 HE3 MET A 45 6.194 -5.423 -3.830 1.00 1.00 H new ATOM 725 N LYS A 46 2.193 -2.488 1.131 1.00 1.00 N ATOM 726 CA LYS A 46 1.530 -2.205 2.398 1.00 1.00 C ATOM 727 C LYS A 46 0.272 -1.356 2.163 1.00 1.00 C ATOM 728 O LYS A 46 -0.803 -1.684 2.665 1.00 1.00 O ATOM 729 CB LYS A 46 2.488 -1.441 3.336 1.00 1.00 C ATOM 730 CG LYS A 46 2.132 -1.685 4.826 1.00 1.00 C ATOM 731 CD LYS A 46 2.666 -3.068 5.288 1.00 1.00 C ATOM 732 CE LYS A 46 2.830 -3.084 6.810 1.00 1.00 C ATOM 733 NZ LYS A 46 3.891 -2.115 7.198 1.00 1.00 N ATOM 0 H LYS A 46 3.185 -2.252 1.095 1.00 1.00 H new ATOM 0 HA LYS A 46 1.246 -3.152 2.857 1.00 1.00 H new ATOM 0 HB2 LYS A 46 3.514 -1.758 3.148 1.00 1.00 H new ATOM 0 HB3 LYS A 46 2.439 -0.374 3.118 1.00 1.00 H new ATOM 0 HG2 LYS A 46 2.562 -0.897 5.444 1.00 1.00 H new ATOM 0 HG3 LYS A 46 1.051 -1.641 4.961 1.00 1.00 H new ATOM 0 HD2 LYS A 46 1.977 -3.854 4.980 1.00 1.00 H new ATOM 0 HD3 LYS A 46 3.623 -3.276 4.809 1.00 1.00 H new ATOM 0 HE2 LYS A 46 1.888 -2.822 7.292 1.00 1.00 H new ATOM 0 HE3 LYS A 46 3.094 -4.086 7.149 1.00 1.00 H new ATOM 0 HZ1 LYS A 46 4.304 -2.399 8.109 1.00 1.00 H new ATOM 0 HZ2 LYS A 46 4.634 -2.103 6.470 1.00 1.00 H new ATOM 0 HZ3 LYS A 46 3.478 -1.165 7.286 1.00 1.00 H new ATOM 747 N GLY A 47 0.414 -0.272 1.407 1.00 1.00 N ATOM 748 CA GLY A 47 -0.722 0.610 1.148 1.00 1.00 C ATOM 749 C GLY A 47 -1.916 -0.182 0.628 1.00 1.00 C ATOM 750 O GLY A 47 -3.034 -0.019 1.119 1.00 1.00 O ATOM 0 H GLY A 47 1.289 0.015 0.968 1.00 1.00 H new ATOM 0 HA2 GLY A 47 -0.998 1.133 2.064 1.00 1.00 H new ATOM 0 HA3 GLY A 47 -0.439 1.370 0.420 1.00 1.00 H new ATOM 754 N LYS A 48 -1.670 -1.041 -0.356 1.00 1.00 N ATOM 755 CA LYS A 48 -2.738 -1.860 -0.919 1.00 1.00 C ATOM 756 C LYS A 48 -3.371 -2.739 0.161 1.00 1.00 C ATOM 757 O LYS A 48 -4.574 -2.999 0.132 1.00 1.00 O ATOM 758 CB LYS A 48 -2.195 -2.750 -2.051 1.00 1.00 C ATOM 759 CG LYS A 48 -1.896 -1.896 -3.301 1.00 1.00 C ATOM 760 CD LYS A 48 -1.619 -2.801 -4.529 1.00 1.00 C ATOM 761 CE LYS A 48 -0.181 -3.323 -4.504 1.00 1.00 C ATOM 762 NZ LYS A 48 0.026 -4.260 -5.642 1.00 1.00 N ATOM 0 H LYS A 48 -0.752 -1.187 -0.776 1.00 1.00 H new ATOM 0 HA LYS A 48 -3.498 -1.190 -1.322 1.00 1.00 H new ATOM 0 HB2 LYS A 48 -1.288 -3.257 -1.722 1.00 1.00 H new ATOM 0 HB3 LYS A 48 -2.922 -3.524 -2.296 1.00 1.00 H new ATOM 0 HG2 LYS A 48 -2.741 -1.240 -3.510 1.00 1.00 H new ATOM 0 HG3 LYS A 48 -1.034 -1.256 -3.113 1.00 1.00 H new ATOM 0 HD2 LYS A 48 -2.315 -3.640 -4.533 1.00 1.00 H new ATOM 0 HD3 LYS A 48 -1.791 -2.239 -5.447 1.00 1.00 H new ATOM 0 HE2 LYS A 48 0.520 -2.491 -4.571 1.00 1.00 H new ATOM 0 HE3 LYS A 48 0.017 -3.831 -3.560 1.00 1.00 H new ATOM 0 HZ1 LYS A 48 1.003 -4.615 -5.626 1.00 1.00 H new ATOM 0 HZ2 LYS A 48 -0.634 -5.059 -5.558 1.00 1.00 H new ATOM 0 HZ3 LYS A 48 -0.146 -3.761 -6.538 1.00 1.00 H new ATOM 776 N ALA A 49 -2.561 -3.193 1.113 1.00 1.00 N ATOM 777 CA ALA A 49 -3.078 -4.046 2.179 1.00 1.00 C ATOM 778 C ALA A 49 -4.127 -3.306 3.002 1.00 1.00 C ATOM 779 O ALA A 49 -5.231 -3.805 3.223 1.00 1.00 O ATOM 780 CB ALA A 49 -1.923 -4.486 3.092 1.00 1.00 C ATOM 0 H ALA A 49 -1.563 -2.990 1.169 1.00 1.00 H new ATOM 0 HA ALA A 49 -3.545 -4.921 1.728 1.00 1.00 H new ATOM 0 HB1 ALA A 49 -2.310 -5.123 3.887 1.00 1.00 H new ATOM 0 HB2 ALA A 49 -1.189 -5.041 2.508 1.00 1.00 H new ATOM 0 HB3 ALA A 49 -1.450 -3.607 3.529 1.00 1.00 H new ATOM 786 N LEU A 50 -3.750 -2.114 3.451 1.00 1.00 N ATOM 787 CA LEU A 50 -4.647 -1.299 4.254 1.00 1.00 C ATOM 788 C LEU A 50 -5.926 -0.989 3.475 1.00 1.00 C ATOM 789 O LEU A 50 -7.016 -0.990 4.048 1.00 1.00 O ATOM 790 CB LEU A 50 -3.923 0.002 4.654 1.00 1.00 C ATOM 791 CG LEU A 50 -3.052 -0.206 5.911 1.00 1.00 C ATOM 792 CD1 LEU A 50 -3.911 -0.512 7.163 1.00 1.00 C ATOM 793 CD2 LEU A 50 -2.065 -1.347 5.662 1.00 1.00 C ATOM 0 H LEU A 50 -2.837 -1.695 3.273 1.00 1.00 H new ATOM 0 HA LEU A 50 -4.928 -1.845 5.155 1.00 1.00 H new ATOM 0 HB2 LEU A 50 -3.298 0.342 3.828 1.00 1.00 H new ATOM 0 HB3 LEU A 50 -4.656 0.786 4.843 1.00 1.00 H new ATOM 0 HG LEU A 50 -2.510 0.720 6.104 1.00 1.00 H new ATOM 0 HD11 LEU A 50 -3.260 -0.652 8.026 1.00 1.00 H new ATOM 0 HD12 LEU A 50 -4.589 0.320 7.351 1.00 1.00 H new ATOM 0 HD13 LEU A 50 -4.489 -1.420 6.994 1.00 1.00 H new ATOM 0 HD21 LEU A 50 -1.449 -1.495 6.549 1.00 1.00 H new ATOM 0 HD22 LEU A 50 -2.615 -2.263 5.445 1.00 1.00 H new ATOM 0 HD23 LEU A 50 -1.427 -1.097 4.814 1.00 1.00 H new ATOM 805 N TYR A 51 -5.784 -0.734 2.179 1.00 1.00 N ATOM 806 CA TYR A 51 -6.946 -0.435 1.364 1.00 1.00 C ATOM 807 C TYR A 51 -7.881 -1.639 1.301 1.00 1.00 C ATOM 808 O TYR A 51 -9.089 -1.524 1.512 1.00 1.00 O ATOM 809 CB TYR A 51 -6.485 -0.025 -0.046 1.00 1.00 C ATOM 810 CG TYR A 51 -7.649 -0.098 -1.016 1.00 1.00 C ATOM 811 CD1 TYR A 51 -8.536 0.975 -1.145 1.00 1.00 C ATOM 812 CD2 TYR A 51 -7.837 -1.262 -1.774 1.00 1.00 C ATOM 813 CE1 TYR A 51 -9.616 0.878 -2.035 1.00 1.00 C ATOM 814 CE2 TYR A 51 -8.912 -1.356 -2.658 1.00 1.00 C ATOM 815 CZ TYR A 51 -9.800 -0.286 -2.791 1.00 1.00 C ATOM 816 OH TYR A 51 -10.862 -0.380 -3.666 1.00 1.00 O ATOM 0 H TYR A 51 -4.893 -0.729 1.682 1.00 1.00 H new ATOM 0 HA TYR A 51 -7.499 0.391 1.812 1.00 1.00 H new ATOM 0 HB2 TYR A 51 -6.082 0.987 -0.025 1.00 1.00 H new ATOM 0 HB3 TYR A 51 -5.681 -0.682 -0.380 1.00 1.00 H new ATOM 0 HD1 TYR A 51 -8.391 1.873 -0.563 1.00 1.00 H new ATOM 0 HD2 TYR A 51 -7.148 -2.088 -1.673 1.00 1.00 H new ATOM 0 HE1 TYR A 51 -10.306 1.702 -2.137 1.00 1.00 H new ATOM 0 HE2 TYR A 51 -9.057 -2.255 -3.239 1.00 1.00 H new ATOM 0 HH TYR A 51 -10.842 -1.253 -4.112 1.00 1.00 H new ATOM 826 N ASN A 52 -7.323 -2.807 0.998 1.00 1.00 N ATOM 827 CA ASN A 52 -8.120 -4.016 0.894 1.00 1.00 C ATOM 828 C ASN A 52 -8.842 -4.302 2.205 1.00 1.00 C ATOM 829 O ASN A 52 -9.930 -4.878 2.203 1.00 1.00 O ATOM 830 CB ASN A 52 -7.218 -5.196 0.530 1.00 1.00 C ATOM 831 CG ASN A 52 -8.054 -6.458 0.370 1.00 1.00 C ATOM 832 OD1 ASN A 52 -8.026 -7.336 1.231 1.00 1.00 O ATOM 833 ND2 ASN A 52 -8.803 -6.599 -0.689 1.00 1.00 N ATOM 0 H ASN A 52 -6.327 -2.938 0.822 1.00 1.00 H new ATOM 0 HA ASN A 52 -8.868 -3.874 0.114 1.00 1.00 H new ATOM 0 HB2 ASN A 52 -6.683 -4.984 -0.396 1.00 1.00 H new ATOM 0 HB3 ASN A 52 -6.466 -5.343 1.306 1.00 1.00 H new ATOM 0 HD21 ASN A 52 -9.368 -7.440 -0.805 1.00 1.00 H new ATOM 0 HD22 ASN A 52 -8.823 -5.868 -1.400 1.00 1.00 H new ATOM 840 N LEU A 53 -8.227 -3.897 3.312 1.00 1.00 N ATOM 841 CA LEU A 53 -8.806 -4.112 4.640 1.00 1.00 C ATOM 842 C LEU A 53 -9.879 -3.071 4.937 1.00 1.00 C ATOM 843 O LEU A 53 -10.348 -2.946 6.068 1.00 1.00 O ATOM 844 CB LEU A 53 -7.697 -4.064 5.705 1.00 1.00 C ATOM 845 CG LEU A 53 -6.854 -5.364 5.654 1.00 1.00 C ATOM 846 CD1 LEU A 53 -5.550 -5.158 6.435 1.00 1.00 C ATOM 847 CD2 LEU A 53 -7.636 -6.556 6.268 1.00 1.00 C ATOM 0 H LEU A 53 -7.327 -3.417 3.319 1.00 1.00 H new ATOM 0 HA LEU A 53 -9.277 -5.095 4.662 1.00 1.00 H new ATOM 0 HB2 LEU A 53 -7.056 -3.199 5.535 1.00 1.00 H new ATOM 0 HB3 LEU A 53 -8.137 -3.945 6.695 1.00 1.00 H new ATOM 0 HG LEU A 53 -6.634 -5.592 4.611 1.00 1.00 H new ATOM 0 HD11 LEU A 53 -4.957 -6.072 6.400 1.00 1.00 H new ATOM 0 HD12 LEU A 53 -4.984 -4.340 5.989 1.00 1.00 H new ATOM 0 HD13 LEU A 53 -5.782 -4.916 7.472 1.00 1.00 H new ATOM 0 HD21 LEU A 53 -7.023 -7.456 6.220 1.00 1.00 H new ATOM 0 HD22 LEU A 53 -7.877 -6.336 7.308 1.00 1.00 H new ATOM 0 HD23 LEU A 53 -8.557 -6.714 5.707 1.00 1.00 H new ATOM 859 N GLU A 54 -10.283 -2.324 3.914 1.00 1.00 N ATOM 860 CA GLU A 54 -11.319 -1.292 4.042 1.00 1.00 C ATOM 861 C GLU A 54 -10.792 -0.100 4.833 1.00 1.00 C ATOM 862 O GLU A 54 -11.553 0.609 5.489 1.00 1.00 O ATOM 863 CB GLU A 54 -12.571 -1.845 4.745 1.00 1.00 C ATOM 864 CG GLU A 54 -13.045 -3.117 4.040 1.00 1.00 C ATOM 865 CD GLU A 54 -14.263 -3.680 4.766 1.00 1.00 C ATOM 866 OE1 GLU A 54 -14.209 -3.774 5.981 1.00 1.00 O ATOM 867 OE2 GLU A 54 -15.228 -4.006 4.098 1.00 1.00 O ATOM 0 H GLU A 54 -9.904 -2.413 2.971 1.00 1.00 H new ATOM 0 HA GLU A 54 -11.589 -0.974 3.035 1.00 1.00 H new ATOM 0 HB2 GLU A 54 -12.347 -2.060 5.790 1.00 1.00 H new ATOM 0 HB3 GLU A 54 -13.364 -1.097 4.736 1.00 1.00 H new ATOM 0 HG2 GLU A 54 -13.297 -2.898 3.002 1.00 1.00 H new ATOM 0 HG3 GLU A 54 -12.244 -3.856 4.024 1.00 1.00 H new ATOM 874 N ARG A 55 -9.482 0.116 4.779 1.00 1.00 N ATOM 875 CA ARG A 55 -8.836 1.224 5.503 1.00 1.00 C ATOM 876 C ARG A 55 -8.310 2.265 4.515 1.00 1.00 C ATOM 877 O ARG A 55 -7.106 2.500 4.410 1.00 1.00 O ATOM 878 CB ARG A 55 -7.679 0.687 6.368 1.00 1.00 C ATOM 879 CG ARG A 55 -8.060 -0.647 7.023 1.00 1.00 C ATOM 880 CD ARG A 55 -9.212 -0.422 7.998 1.00 1.00 C ATOM 881 NE ARG A 55 -9.458 -1.628 8.770 1.00 1.00 N ATOM 882 CZ ARG A 55 -10.544 -1.742 9.527 1.00 1.00 C ATOM 883 NH1 ARG A 55 -11.406 -0.763 9.581 1.00 1.00 N ATOM 884 NH2 ARG A 55 -10.743 -2.829 10.216 1.00 1.00 N ATOM 0 H ARG A 55 -8.837 -0.461 4.240 1.00 1.00 H new ATOM 0 HA ARG A 55 -9.574 1.696 6.152 1.00 1.00 H new ATOM 0 HB2 ARG A 55 -6.790 0.553 5.751 1.00 1.00 H new ATOM 0 HB3 ARG A 55 -7.426 1.416 7.138 1.00 1.00 H new ATOM 0 HG2 ARG A 55 -8.350 -1.369 6.260 1.00 1.00 H new ATOM 0 HG3 ARG A 55 -7.201 -1.065 7.548 1.00 1.00 H new ATOM 0 HD2 ARG A 55 -8.975 0.405 8.667 1.00 1.00 H new ATOM 0 HD3 ARG A 55 -10.112 -0.142 7.451 1.00 1.00 H new ATOM 0 HE ARG A 55 -8.789 -2.397 8.730 1.00 1.00 H new ATOM 0 HH11 ARG A 55 -11.245 0.088 9.042 1.00 1.00 H new ATOM 0 HH12 ARG A 55 -12.240 -0.849 10.162 1.00 1.00 H new ATOM 0 HH21 ARG A 55 -10.066 -3.591 10.174 1.00 1.00 H new ATOM 0 HH22 ARG A 55 -11.576 -2.919 10.798 1.00 1.00 H new ATOM 898 N TYR A 56 -9.235 2.894 3.796 1.00 1.00 N ATOM 899 CA TYR A 56 -8.866 3.910 2.818 1.00 1.00 C ATOM 900 C TYR A 56 -8.046 5.011 3.488 1.00 1.00 C ATOM 901 O TYR A 56 -7.090 5.531 2.911 1.00 1.00 O ATOM 902 CB TYR A 56 -10.138 4.512 2.202 1.00 1.00 C ATOM 903 CG TYR A 56 -11.121 3.404 1.899 1.00 1.00 C ATOM 904 CD1 TYR A 56 -12.018 2.980 2.889 1.00 1.00 C ATOM 905 CD2 TYR A 56 -11.139 2.799 0.635 1.00 1.00 C ATOM 906 CE1 TYR A 56 -12.931 1.955 2.619 1.00 1.00 C ATOM 907 CE2 TYR A 56 -12.052 1.772 0.367 1.00 1.00 C ATOM 908 CZ TYR A 56 -12.946 1.351 1.358 1.00 1.00 C ATOM 909 OH TYR A 56 -13.848 0.341 1.089 1.00 1.00 O ATOM 0 H TYR A 56 -10.237 2.720 3.871 1.00 1.00 H new ATOM 0 HA TYR A 56 -8.264 3.450 2.034 1.00 1.00 H new ATOM 0 HB2 TYR A 56 -10.584 5.231 2.890 1.00 1.00 H new ATOM 0 HB3 TYR A 56 -9.892 5.055 1.289 1.00 1.00 H new ATOM 0 HD1 TYR A 56 -12.004 3.446 3.863 1.00 1.00 H new ATOM 0 HD2 TYR A 56 -10.450 3.124 -0.131 1.00 1.00 H new ATOM 0 HE1 TYR A 56 -13.623 1.631 3.383 1.00 1.00 H new ATOM 0 HE2 TYR A 56 -12.066 1.304 -0.606 1.00 1.00 H new ATOM 0 HH TYR A 56 -14.556 0.682 0.504 1.00 1.00 H new ATOM 919 N GLU A 57 -8.429 5.359 4.712 1.00 1.00 N ATOM 920 CA GLU A 57 -7.724 6.402 5.446 1.00 1.00 C ATOM 921 C GLU A 57 -6.285 5.979 5.754 1.00 1.00 C ATOM 922 O GLU A 57 -5.338 6.715 5.476 1.00 1.00 O ATOM 923 CB GLU A 57 -8.456 6.695 6.759 1.00 1.00 C ATOM 924 CG GLU A 57 -9.825 7.311 6.458 1.00 1.00 C ATOM 925 CD GLU A 57 -10.587 7.561 7.759 1.00 1.00 C ATOM 926 OE1 GLU A 57 -10.030 7.295 8.813 1.00 1.00 O ATOM 927 OE2 GLU A 57 -11.716 8.015 7.681 1.00 1.00 O ATOM 0 H GLU A 57 -9.214 4.940 5.211 1.00 1.00 H new ATOM 0 HA GLU A 57 -7.699 7.298 4.825 1.00 1.00 H new ATOM 0 HB2 GLU A 57 -8.578 5.776 7.332 1.00 1.00 H new ATOM 0 HB3 GLU A 57 -7.866 7.377 7.372 1.00 1.00 H new ATOM 0 HG2 GLU A 57 -9.699 8.248 5.916 1.00 1.00 H new ATOM 0 HG3 GLU A 57 -10.399 6.644 5.814 1.00 1.00 H new ATOM 934 N GLU A 58 -6.146 4.788 6.326 1.00 1.00 N ATOM 935 CA GLU A 58 -4.818 4.284 6.675 1.00 1.00 C ATOM 936 C GLU A 58 -3.991 4.049 5.415 1.00 1.00 C ATOM 937 O GLU A 58 -2.793 4.330 5.385 1.00 1.00 O ATOM 938 CB GLU A 58 -4.929 2.970 7.447 1.00 1.00 C ATOM 939 CG GLU A 58 -5.792 3.181 8.700 1.00 1.00 C ATOM 940 CD GLU A 58 -5.928 1.881 9.491 1.00 1.00 C ATOM 941 OE1 GLU A 58 -5.271 0.922 9.139 1.00 1.00 O ATOM 942 OE2 GLU A 58 -6.684 1.870 10.449 1.00 1.00 O ATOM 0 H GLU A 58 -6.918 4.162 6.555 1.00 1.00 H new ATOM 0 HA GLU A 58 -4.329 5.031 7.300 1.00 1.00 H new ATOM 0 HB2 GLU A 58 -5.371 2.201 6.814 1.00 1.00 H new ATOM 0 HB3 GLU A 58 -3.937 2.618 7.731 1.00 1.00 H new ATOM 0 HG2 GLU A 58 -5.345 3.950 9.330 1.00 1.00 H new ATOM 0 HG3 GLU A 58 -6.779 3.541 8.411 1.00 1.00 H new ATOM 949 N ALA A 59 -4.640 3.536 4.375 1.00 1.00 N ATOM 950 CA ALA A 59 -3.952 3.266 3.117 1.00 1.00 C ATOM 951 C ALA A 59 -3.332 4.545 2.566 1.00 1.00 C ATOM 952 O ALA A 59 -2.192 4.533 2.100 1.00 1.00 O ATOM 953 CB ALA A 59 -4.929 2.666 2.107 1.00 1.00 C ATOM 0 H ALA A 59 -5.632 3.300 4.377 1.00 1.00 H new ATOM 0 HA ALA A 59 -3.152 2.549 3.299 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -4.408 2.467 1.171 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -5.334 1.734 2.502 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -5.743 3.368 1.927 1.00 1.00 H new ATOM 959 N VAL A 60 -4.078 5.642 2.628 1.00 1.00 N ATOM 960 CA VAL A 60 -3.580 6.922 2.144 1.00 1.00 C ATOM 961 C VAL A 60 -2.316 7.312 2.909 1.00 1.00 C ATOM 962 O VAL A 60 -1.354 7.808 2.325 1.00 1.00 O ATOM 963 CB VAL A 60 -4.675 8.004 2.288 1.00 1.00 C ATOM 964 CG1 VAL A 60 -4.060 9.412 2.169 1.00 1.00 C ATOM 965 CG2 VAL A 60 -5.722 7.814 1.178 1.00 1.00 C ATOM 0 H VAL A 60 -5.025 5.670 3.007 1.00 1.00 H new ATOM 0 HA VAL A 60 -3.326 6.835 1.088 1.00 1.00 H new ATOM 0 HB VAL A 60 -5.143 7.905 3.267 1.00 1.00 H new ATOM 0 HG11 VAL A 60 -4.844 10.162 2.273 1.00 1.00 H new ATOM 0 HG12 VAL A 60 -3.318 9.552 2.955 1.00 1.00 H new ATOM 0 HG13 VAL A 60 -3.582 9.519 1.195 1.00 1.00 H new ATOM 0 HG21 VAL A 60 -6.497 8.574 1.275 1.00 1.00 H new ATOM 0 HG22 VAL A 60 -5.241 7.908 0.204 1.00 1.00 H new ATOM 0 HG23 VAL A 60 -6.171 6.825 1.267 1.00 1.00 H new ATOM 975 N ASP A 61 -2.304 7.098 4.221 1.00 1.00 N ATOM 976 CA ASP A 61 -1.149 7.444 5.034 1.00 1.00 C ATOM 977 C ASP A 61 0.098 6.730 4.525 1.00 1.00 C ATOM 978 O ASP A 61 1.193 7.293 4.571 1.00 1.00 O ATOM 979 CB ASP A 61 -1.411 7.064 6.492 1.00 1.00 C ATOM 980 CG ASP A 61 -0.230 7.477 7.363 1.00 1.00 C ATOM 981 OD1 ASP A 61 0.054 8.661 7.414 1.00 1.00 O ATOM 982 OD2 ASP A 61 0.370 6.602 7.967 1.00 1.00 O ATOM 0 H ASP A 61 -3.080 6.688 4.740 1.00 1.00 H new ATOM 0 HA ASP A 61 -0.983 8.519 4.966 1.00 1.00 H new ATOM 0 HB2 ASP A 61 -2.320 7.551 6.845 1.00 1.00 H new ATOM 0 HB3 ASP A 61 -1.573 5.989 6.572 1.00 1.00 H new ATOM 987 N CYS A 62 -0.074 5.503 4.045 1.00 1.00 N ATOM 988 CA CYS A 62 1.056 4.740 3.529 1.00 1.00 C ATOM 989 C CYS A 62 1.578 5.369 2.240 1.00 1.00 C ATOM 990 O CYS A 62 2.769 5.663 2.127 1.00 1.00 O ATOM 991 CB CYS A 62 0.631 3.296 3.252 1.00 1.00 C ATOM 992 SG CYS A 62 -0.115 2.586 4.743 1.00 1.00 S ATOM 0 H CYS A 62 -0.972 5.021 4.002 1.00 1.00 H new ATOM 0 HA CYS A 62 1.848 4.749 4.278 1.00 1.00 H new ATOM 0 HB2 CYS A 62 -0.082 3.268 2.428 1.00 1.00 H new ATOM 0 HB3 CYS A 62 1.494 2.704 2.948 1.00 1.00 H new ATOM 0 HG CYS A 62 -1.191 3.248 5.047 1.00 1.00 H new ATOM 998 N TYR A 63 0.687 5.574 1.277 1.00 1.00 N ATOM 999 CA TYR A 63 1.099 6.172 0.012 1.00 1.00 C ATOM 1000 C TYR A 63 1.744 7.535 0.246 1.00 1.00 C ATOM 1001 O TYR A 63 2.769 7.854 -0.357 1.00 1.00 O ATOM 1002 CB TYR A 63 -0.110 6.328 -0.923 1.00 1.00 C ATOM 1003 CG TYR A 63 -0.746 4.969 -1.222 1.00 1.00 C ATOM 1004 CD1 TYR A 63 0.040 3.886 -1.657 1.00 1.00 C ATOM 1005 CD2 TYR A 63 -2.132 4.787 -1.055 1.00 1.00 C ATOM 1006 CE1 TYR A 63 -0.556 2.651 -1.917 1.00 1.00 C ATOM 1007 CE2 TYR A 63 -2.717 3.544 -1.315 1.00 1.00 C ATOM 1008 CZ TYR A 63 -1.928 2.479 -1.743 1.00 1.00 C ATOM 1009 OH TYR A 63 -2.505 1.254 -2.003 1.00 1.00 O ATOM 0 H TYR A 63 -0.304 5.341 1.343 1.00 1.00 H new ATOM 0 HA TYR A 63 1.830 5.511 -0.454 1.00 1.00 H new ATOM 0 HB2 TYR A 63 -0.848 6.986 -0.464 1.00 1.00 H new ATOM 0 HB3 TYR A 63 0.203 6.800 -1.854 1.00 1.00 H new ATOM 0 HD1 TYR A 63 1.105 4.010 -1.790 1.00 1.00 H new ATOM 0 HD2 TYR A 63 -2.746 5.611 -0.724 1.00 1.00 H new ATOM 0 HE1 TYR A 63 0.050 1.823 -2.255 1.00 1.00 H new ATOM 0 HE2 TYR A 63 -3.781 3.410 -1.184 1.00 1.00 H new ATOM 0 HH TYR A 63 -3.468 1.303 -1.831 1.00 1.00 H new ATOM 1019 N ASN A 64 1.148 8.333 1.127 1.00 1.00 N ATOM 1020 CA ASN A 64 1.693 9.652 1.416 1.00 1.00 C ATOM 1021 C ASN A 64 3.112 9.530 1.962 1.00 1.00 C ATOM 1022 O ASN A 64 3.954 10.383 1.679 1.00 1.00 O ATOM 1023 CB ASN A 64 0.805 10.366 2.436 1.00 1.00 C ATOM 1024 CG ASN A 64 -0.527 10.730 1.790 1.00 1.00 C ATOM 1025 OD1 ASN A 64 -0.628 10.786 0.565 1.00 1.00 O ATOM 1026 ND2 ASN A 64 -1.559 10.978 2.543 1.00 1.00 N ATOM 0 H ASN A 64 0.302 8.094 1.644 1.00 1.00 H new ATOM 0 HA ASN A 64 1.721 10.231 0.493 1.00 1.00 H new ATOM 0 HB2 ASN A 64 0.638 9.723 3.300 1.00 1.00 H new ATOM 0 HB3 ASN A 64 1.302 11.265 2.799 1.00 1.00 H new ATOM 0 HD21 ASN A 64 -2.454 11.219 2.118 1.00 1.00 H new ATOM 0 HD22 ASN A 64 -1.473 10.931 3.558 1.00 1.00 H new ATOM 1033 N TYR A 65 3.347 8.470 2.730 1.00 1.00 N ATOM 1034 CA TYR A 65 4.670 8.250 3.303 1.00 1.00 C ATOM 1035 C TYR A 65 5.708 8.154 2.188 1.00 1.00 C ATOM 1036 O TYR A 65 6.798 8.715 2.304 1.00 1.00 O ATOM 1037 CB TYR A 65 4.684 6.961 4.139 1.00 1.00 C ATOM 1038 CG TYR A 65 6.048 6.752 4.752 1.00 1.00 C ATOM 1039 CD1 TYR A 65 7.060 6.133 4.005 1.00 1.00 C ATOM 1040 CD2 TYR A 65 6.305 7.177 6.063 1.00 1.00 C ATOM 1041 CE1 TYR A 65 8.325 5.936 4.567 1.00 1.00 C ATOM 1042 CE2 TYR A 65 7.571 6.980 6.623 1.00 1.00 C ATOM 1043 CZ TYR A 65 8.581 6.359 5.877 1.00 1.00 C ATOM 1044 OH TYR A 65 9.829 6.167 6.433 1.00 1.00 O ATOM 0 H TYR A 65 2.652 7.762 2.967 1.00 1.00 H new ATOM 0 HA TYR A 65 4.914 9.091 3.952 1.00 1.00 H new ATOM 0 HB2 TYR A 65 3.930 7.020 4.924 1.00 1.00 H new ATOM 0 HB3 TYR A 65 4.425 6.109 3.511 1.00 1.00 H new ATOM 0 HD1 TYR A 65 6.862 5.808 2.994 1.00 1.00 H new ATOM 0 HD2 TYR A 65 5.527 7.656 6.639 1.00 1.00 H new ATOM 0 HE1 TYR A 65 9.104 5.458 3.991 1.00 1.00 H new ATOM 0 HE2 TYR A 65 7.771 7.307 7.633 1.00 1.00 H new ATOM 0 HH TYR A 65 9.837 6.519 7.347 1.00 1.00 H new ATOM 1054 N VAL A 66 5.365 7.439 1.122 1.00 1.00 N ATOM 1055 CA VAL A 66 6.286 7.279 -0.005 1.00 1.00 C ATOM 1056 C VAL A 66 6.472 8.604 -0.744 1.00 1.00 C ATOM 1057 O VAL A 66 7.591 8.972 -1.099 1.00 1.00 O ATOM 1058 CB VAL A 66 5.761 6.214 -0.973 1.00 1.00 C ATOM 1059 CG1 VAL A 66 6.724 6.045 -2.159 1.00 1.00 C ATOM 1060 CG2 VAL A 66 5.636 4.881 -0.243 1.00 1.00 C ATOM 0 H VAL A 66 4.469 6.965 1.012 1.00 1.00 H new ATOM 0 HA VAL A 66 7.251 6.960 0.388 1.00 1.00 H new ATOM 0 HB VAL A 66 4.787 6.531 -1.345 1.00 1.00 H new ATOM 0 HG11 VAL A 66 6.336 5.285 -2.837 1.00 1.00 H new ATOM 0 HG12 VAL A 66 6.816 6.992 -2.690 1.00 1.00 H new ATOM 0 HG13 VAL A 66 7.703 5.738 -1.792 1.00 1.00 H new ATOM 0 HG21 VAL A 66 5.262 4.123 -0.931 1.00 1.00 H new ATOM 0 HG22 VAL A 66 6.613 4.579 0.134 1.00 1.00 H new ATOM 0 HG23 VAL A 66 4.943 4.987 0.591 1.00 1.00 H new ATOM 1070 N ILE A 67 5.379 9.322 -0.980 1.00 1.00 N ATOM 1071 CA ILE A 67 5.439 10.601 -1.678 1.00 1.00 C ATOM 1072 C ILE A 67 6.206 11.624 -0.842 1.00 1.00 C ATOM 1073 O ILE A 67 7.002 12.406 -1.363 1.00 1.00 O ATOM 1074 CB ILE A 67 4.014 11.086 -1.988 1.00 1.00 C ATOM 1075 CG1 ILE A 67 3.386 10.145 -3.036 1.00 1.00 C ATOM 1076 CG2 ILE A 67 4.055 12.519 -2.545 1.00 1.00 C ATOM 1077 CD1 ILE A 67 1.885 10.404 -3.125 1.00 1.00 C ATOM 0 H ILE A 67 4.440 9.040 -0.698 1.00 1.00 H new ATOM 0 HA ILE A 67 5.972 10.477 -2.621 1.00 1.00 H new ATOM 0 HB ILE A 67 3.419 11.080 -1.074 1.00 1.00 H new ATOM 0 HG12 ILE A 67 3.851 10.306 -4.009 1.00 1.00 H new ATOM 0 HG13 ILE A 67 3.570 9.106 -2.763 1.00 1.00 H new ATOM 0 HG21 ILE A 67 3.041 12.854 -2.762 1.00 1.00 H new ATOM 0 HG22 ILE A 67 4.507 13.183 -1.808 1.00 1.00 H new ATOM 0 HG23 ILE A 67 4.646 12.537 -3.460 1.00 1.00 H new ATOM 0 HD11 ILE A 67 1.444 9.738 -3.866 1.00 1.00 H new ATOM 0 HD12 ILE A 67 1.426 10.221 -2.154 1.00 1.00 H new ATOM 0 HD13 ILE A 67 1.711 11.439 -3.419 1.00 1.00 H new ATOM 1089 N ASN A 68 5.959 11.625 0.464 1.00 1.00 N ATOM 1090 CA ASN A 68 6.619 12.566 1.359 1.00 1.00 C ATOM 1091 C ASN A 68 8.075 12.172 1.599 1.00 1.00 C ATOM 1092 O ASN A 68 8.988 12.849 1.123 1.00 1.00 O ATOM 1093 CB ASN A 68 5.866 12.602 2.695 1.00 1.00 C ATOM 1094 CG ASN A 68 4.396 12.932 2.446 1.00 1.00 C ATOM 1095 OD1 ASN A 68 3.543 12.654 3.288 1.00 1.00 O ATOM 1096 ND2 ASN A 68 4.051 13.506 1.326 1.00 1.00 N ATOM 0 H ASN A 68 5.309 10.987 0.924 1.00 1.00 H new ATOM 0 HA ASN A 68 6.609 13.552 0.896 1.00 1.00 H new ATOM 0 HB2 ASN A 68 5.953 11.639 3.199 1.00 1.00 H new ATOM 0 HB3 ASN A 68 6.310 13.348 3.354 1.00 1.00 H new ATOM 0 HD21 ASN A 68 3.071 13.726 1.146 1.00 1.00 H new ATOM 0 HD22 ASN A 68 4.761 13.735 0.630 1.00 1.00 H new ATOM 1103 N VAL A 69 8.257 11.084 2.339 1.00 1.00 N ATOM 1104 CA VAL A 69 9.612 10.613 2.649 1.00 1.00 C ATOM 1105 C VAL A 69 10.472 10.574 1.389 1.00 1.00 C ATOM 1106 O VAL A 69 11.594 11.078 1.382 1.00 1.00 O ATOM 1107 CB VAL A 69 9.553 9.208 3.269 1.00 1.00 C ATOM 1108 CG1 VAL A 69 10.982 8.701 3.551 1.00 1.00 C ATOM 1109 CG2 VAL A 69 8.707 9.241 4.587 1.00 1.00 C ATOM 0 H VAL A 69 7.504 10.518 2.731 1.00 1.00 H new ATOM 0 HA VAL A 69 10.059 11.308 3.360 1.00 1.00 H new ATOM 0 HB VAL A 69 9.074 8.524 2.569 1.00 1.00 H new ATOM 0 HG11 VAL A 69 10.934 7.705 3.990 1.00 1.00 H new ATOM 0 HG12 VAL A 69 11.544 8.660 2.618 1.00 1.00 H new ATOM 0 HG13 VAL A 69 11.479 9.380 4.244 1.00 1.00 H new ATOM 0 HG21 VAL A 69 8.670 8.242 5.021 1.00 1.00 H new ATOM 0 HG22 VAL A 69 9.167 9.928 5.297 1.00 1.00 H new ATOM 0 HG23 VAL A 69 7.695 9.577 4.361 1.00 1.00 H new ATOM 1119 N ILE A 70 9.946 9.990 0.317 1.00 1.00 N ATOM 1120 CA ILE A 70 10.664 9.899 -0.958 1.00 1.00 C ATOM 1121 C ILE A 70 10.051 10.862 -1.962 1.00 1.00 C ATOM 1122 O ILE A 70 8.840 10.879 -2.188 1.00 1.00 O ATOM 1123 CB ILE A 70 10.595 8.464 -1.513 1.00 1.00 C ATOM 1124 CG1 ILE A 70 11.197 7.492 -0.486 1.00 1.00 C ATOM 1125 CG2 ILE A 70 11.376 8.390 -2.825 1.00 1.00 C ATOM 1126 CD1 ILE A 70 10.909 6.037 -0.891 1.00 1.00 C ATOM 0 H ILE A 70 9.017 9.568 0.303 1.00 1.00 H new ATOM 0 HA ILE A 70 11.708 10.162 -0.790 1.00 1.00 H new ATOM 0 HB ILE A 70 9.557 8.189 -1.700 1.00 1.00 H new ATOM 0 HG12 ILE A 70 12.273 7.650 -0.414 1.00 1.00 H new ATOM 0 HG13 ILE A 70 10.779 7.691 0.501 1.00 1.00 H new ATOM 0 HG21 ILE A 70 11.329 7.375 -3.220 1.00 1.00 H new ATOM 0 HG22 ILE A 70 10.941 9.081 -3.547 1.00 1.00 H new ATOM 0 HG23 ILE A 70 12.416 8.661 -2.645 1.00 1.00 H new ATOM 0 HD11 ILE A 70 11.342 5.361 -0.153 1.00 1.00 H new ATOM 0 HD12 ILE A 70 9.832 5.879 -0.939 1.00 1.00 H new ATOM 0 HD13 ILE A 70 11.349 5.837 -1.868 1.00 1.00 H new ATOM 1138 N GLU A 71 10.885 11.685 -2.589 1.00 1.00 N ATOM 1139 CA GLU A 71 10.420 12.649 -3.583 1.00 1.00 C ATOM 1140 C GLU A 71 9.831 11.936 -4.806 1.00 1.00 C ATOM 1141 O GLU A 71 9.823 12.471 -5.914 1.00 1.00 O ATOM 1142 CB GLU A 71 11.582 13.548 -4.018 1.00 1.00 C ATOM 1143 CG GLU A 71 12.733 12.683 -4.538 1.00 1.00 C ATOM 1144 CD GLU A 71 13.898 13.571 -4.962 1.00 1.00 C ATOM 1145 OE1 GLU A 71 13.643 14.672 -5.422 1.00 1.00 O ATOM 1146 OE2 GLU A 71 15.028 13.135 -4.824 1.00 1.00 O ATOM 0 H GLU A 71 11.892 11.704 -2.426 1.00 1.00 H new ATOM 0 HA GLU A 71 9.637 13.257 -3.130 1.00 1.00 H new ATOM 0 HB2 GLU A 71 11.251 14.237 -4.795 1.00 1.00 H new ATOM 0 HB3 GLU A 71 11.920 14.155 -3.178 1.00 1.00 H new ATOM 0 HG2 GLU A 71 13.057 11.989 -3.763 1.00 1.00 H new ATOM 0 HG3 GLU A 71 12.396 12.083 -5.383 1.00 1.00 H new ATOM 1153 N ASP A 72 9.338 10.718 -4.614 1.00 1.00 N ATOM 1154 CA ASP A 72 8.756 9.936 -5.694 1.00 1.00 C ATOM 1155 C ASP A 72 7.799 10.790 -6.518 1.00 1.00 C ATOM 1156 O ASP A 72 8.172 11.329 -7.561 1.00 1.00 O ATOM 1157 CB ASP A 72 8.012 8.727 -5.112 1.00 1.00 C ATOM 1158 CG ASP A 72 7.425 7.871 -6.232 1.00 1.00 C ATOM 1159 OD1 ASP A 72 7.478 8.298 -7.373 1.00 1.00 O ATOM 1160 OD2 ASP A 72 6.936 6.795 -5.930 1.00 1.00 O ATOM 0 H ASP A 72 9.331 10.248 -3.709 1.00 1.00 H new ATOM 0 HA ASP A 72 9.557 9.588 -6.347 1.00 1.00 H new ATOM 0 HB2 ASP A 72 8.694 8.129 -4.508 1.00 1.00 H new ATOM 0 HB3 ASP A 72 7.215 9.067 -4.450 1.00 1.00 H new ATOM 1165 N GLU A 73 6.561 10.916 -6.054 1.00 1.00 N ATOM 1166 CA GLU A 73 5.532 11.704 -6.742 1.00 1.00 C ATOM 1167 C GLU A 73 5.644 11.532 -8.261 1.00 1.00 C ATOM 1168 O GLU A 73 5.477 12.486 -9.021 1.00 1.00 O ATOM 1169 CB GLU A 73 5.666 13.192 -6.365 1.00 1.00 C ATOM 1170 CG GLU A 73 4.359 13.943 -6.683 1.00 1.00 C ATOM 1171 CD GLU A 73 4.470 15.396 -6.245 1.00 1.00 C ATOM 1172 OE1 GLU A 73 5.360 15.692 -5.465 1.00 1.00 O ATOM 1173 OE2 GLU A 73 3.663 16.189 -6.696 1.00 1.00 O ATOM 0 H GLU A 73 6.238 10.477 -5.192 1.00 1.00 H new ATOM 0 HA GLU A 73 4.553 11.344 -6.427 1.00 1.00 H new ATOM 0 HB2 GLU A 73 5.899 13.286 -5.304 1.00 1.00 H new ATOM 0 HB3 GLU A 73 6.494 13.640 -6.914 1.00 1.00 H new ATOM 0 HG2 GLU A 73 4.152 13.892 -7.752 1.00 1.00 H new ATOM 0 HG3 GLU A 73 3.523 13.465 -6.174 1.00 1.00 H new ATOM 1180 N TYR A 74 5.932 10.308 -8.690 1.00 1.00 N ATOM 1181 CA TYR A 74 6.077 10.015 -10.112 1.00 1.00 C ATOM 1182 C TYR A 74 5.599 8.607 -10.418 1.00 1.00 C ATOM 1183 O TYR A 74 4.871 8.390 -11.387 1.00 1.00 O ATOM 1184 CB TYR A 74 7.543 10.154 -10.520 1.00 1.00 C ATOM 1185 CG TYR A 74 7.661 9.924 -12.006 1.00 1.00 C ATOM 1186 CD1 TYR A 74 7.526 10.998 -12.893 1.00 1.00 C ATOM 1187 CD2 TYR A 74 7.897 8.635 -12.497 1.00 1.00 C ATOM 1188 CE1 TYR A 74 7.625 10.783 -14.271 1.00 1.00 C ATOM 1189 CE2 TYR A 74 7.997 8.419 -13.874 1.00 1.00 C ATOM 1190 CZ TYR A 74 7.862 9.493 -14.762 1.00 1.00 C ATOM 1191 OH TYR A 74 7.961 9.279 -16.121 1.00 1.00 O ATOM 0 H TYR A 74 6.069 9.505 -8.076 1.00 1.00 H new ATOM 0 HA TYR A 74 5.470 10.723 -10.676 1.00 1.00 H new ATOM 0 HB2 TYR A 74 7.914 11.146 -10.262 1.00 1.00 H new ATOM 0 HB3 TYR A 74 8.155 9.434 -9.977 1.00 1.00 H new ATOM 0 HD1 TYR A 74 7.345 11.993 -12.513 1.00 1.00 H new ATOM 0 HD2 TYR A 74 8.002 7.807 -11.812 1.00 1.00 H new ATOM 0 HE1 TYR A 74 7.519 11.611 -14.956 1.00 1.00 H new ATOM 0 HE2 TYR A 74 8.178 7.424 -14.253 1.00 1.00 H new ATOM 0 HH TYR A 74 8.128 8.328 -16.291 1.00 1.00 H new ATOM 1201 N ASN A 75 6.005 7.648 -9.592 1.00 1.00 N ATOM 1202 CA ASN A 75 5.619 6.254 -9.773 1.00 1.00 C ATOM 1203 C ASN A 75 4.131 6.153 -10.113 1.00 1.00 C ATOM 1204 O ASN A 75 3.250 6.533 -9.342 1.00 1.00 O ATOM 1205 CB ASN A 75 5.945 5.462 -8.492 1.00 1.00 C ATOM 1206 CG ASN A 75 6.012 3.962 -8.774 1.00 1.00 C ATOM 1207 OD1 ASN A 75 5.525 3.158 -7.980 1.00 1.00 O ATOM 1208 ND2 ASN A 75 6.594 3.534 -9.860 1.00 1.00 N ATOM 0 H ASN A 75 6.606 7.814 -8.785 1.00 1.00 H new ATOM 0 HA ASN A 75 6.181 5.828 -10.604 1.00 1.00 H new ATOM 0 HB2 ASN A 75 6.897 5.801 -8.084 1.00 1.00 H new ATOM 0 HB3 ASN A 75 5.185 5.659 -7.736 1.00 1.00 H new ATOM 0 HD21 ASN A 75 6.645 2.533 -10.051 1.00 1.00 H new ATOM 0 HD22 ASN A 75 6.998 4.200 -10.519 1.00 1.00 H new ATOM 1215 N LYS A 76 3.848 5.635 -11.302 1.00 1.00 N ATOM 1216 CA LYS A 76 2.476 5.489 -11.764 1.00 1.00 C ATOM 1217 C LYS A 76 1.743 4.439 -10.945 1.00 1.00 C ATOM 1218 O LYS A 76 0.520 4.475 -10.823 1.00 1.00 O ATOM 1219 CB LYS A 76 2.481 5.097 -13.248 1.00 1.00 C ATOM 1220 CG LYS A 76 3.361 3.823 -13.488 1.00 1.00 C ATOM 1221 CD LYS A 76 2.480 2.577 -13.585 1.00 1.00 C ATOM 1222 CE LYS A 76 3.358 1.352 -13.823 1.00 1.00 C ATOM 1223 NZ LYS A 76 4.111 1.524 -15.095 1.00 1.00 N ATOM 0 H LYS A 76 4.553 5.309 -11.964 1.00 1.00 H new ATOM 0 HA LYS A 76 1.955 6.438 -11.640 1.00 1.00 H new ATOM 0 HB2 LYS A 76 1.461 4.907 -13.581 1.00 1.00 H new ATOM 0 HB3 LYS A 76 2.862 5.925 -13.845 1.00 1.00 H new ATOM 0 HG2 LYS A 76 3.939 3.940 -14.405 1.00 1.00 H new ATOM 0 HG3 LYS A 76 4.076 3.708 -12.673 1.00 1.00 H new ATOM 0 HD2 LYS A 76 1.905 2.453 -12.668 1.00 1.00 H new ATOM 0 HD3 LYS A 76 1.763 2.688 -14.398 1.00 1.00 H new ATOM 0 HE2 LYS A 76 4.051 1.221 -12.992 1.00 1.00 H new ATOM 0 HE3 LYS A 76 2.743 0.453 -13.870 1.00 1.00 H new ATOM 0 HZ1 LYS A 76 4.420 0.594 -15.444 1.00 1.00 H new ATOM 0 HZ2 LYS A 76 3.497 1.974 -15.804 1.00 1.00 H new ATOM 0 HZ3 LYS A 76 4.943 2.125 -14.927 1.00 1.00 H new ATOM 1237 N ASP A 77 2.502 3.503 -10.385 1.00 1.00 N ATOM 1238 CA ASP A 77 1.911 2.441 -9.583 1.00 1.00 C ATOM 1239 C ASP A 77 1.355 2.999 -8.275 1.00 1.00 C ATOM 1240 O ASP A 77 0.231 2.687 -7.884 1.00 1.00 O ATOM 1241 CB ASP A 77 2.969 1.371 -9.285 1.00 1.00 C ATOM 1242 CG ASP A 77 2.309 0.110 -8.741 1.00 1.00 C ATOM 1243 OD1 ASP A 77 1.233 0.226 -8.175 1.00 1.00 O ATOM 1244 OD2 ASP A 77 2.889 -0.951 -8.894 1.00 1.00 O ATOM 0 H ASP A 77 3.517 3.459 -10.471 1.00 1.00 H new ATOM 0 HA ASP A 77 1.090 1.995 -10.144 1.00 1.00 H new ATOM 0 HB2 ASP A 77 3.524 1.136 -10.193 1.00 1.00 H new ATOM 0 HB3 ASP A 77 3.689 1.754 -8.562 1.00 1.00 H new ATOM 1249 N VAL A 78 2.150 3.829 -7.604 1.00 1.00 N ATOM 1250 CA VAL A 78 1.724 4.421 -6.342 1.00 1.00 C ATOM 1251 C VAL A 78 0.523 5.341 -6.566 1.00 1.00 C ATOM 1252 O VAL A 78 -0.474 5.255 -5.848 1.00 1.00 O ATOM 1253 CB VAL A 78 2.890 5.212 -5.708 1.00 1.00 C ATOM 1254 CG1 VAL A 78 2.398 6.006 -4.484 1.00 1.00 C ATOM 1255 CG2 VAL A 78 4.003 4.237 -5.265 1.00 1.00 C ATOM 0 H VAL A 78 3.083 4.104 -7.910 1.00 1.00 H new ATOM 0 HA VAL A 78 1.428 3.622 -5.662 1.00 1.00 H new ATOM 0 HB VAL A 78 3.281 5.907 -6.451 1.00 1.00 H new ATOM 0 HG11 VAL A 78 3.231 6.558 -4.049 1.00 1.00 H new ATOM 0 HG12 VAL A 78 1.621 6.706 -4.792 1.00 1.00 H new ATOM 0 HG13 VAL A 78 1.992 5.317 -3.743 1.00 1.00 H new ATOM 0 HG21 VAL A 78 4.823 4.800 -4.819 1.00 1.00 H new ATOM 0 HG22 VAL A 78 3.602 3.536 -4.532 1.00 1.00 H new ATOM 0 HG23 VAL A 78 4.370 3.686 -6.131 1.00 1.00 H new ATOM 1265 N TRP A 79 0.617 6.222 -7.557 1.00 1.00 N ATOM 1266 CA TRP A 79 -0.466 7.151 -7.855 1.00 1.00 C ATOM 1267 C TRP A 79 -1.726 6.383 -8.251 1.00 1.00 C ATOM 1268 O TRP A 79 -2.809 6.635 -7.723 1.00 1.00 O ATOM 1269 CB TRP A 79 -0.035 8.116 -8.999 1.00 1.00 C ATOM 1270 CG TRP A 79 0.561 9.373 -8.431 1.00 1.00 C ATOM 1271 CD1 TRP A 79 1.881 9.671 -8.397 1.00 1.00 C ATOM 1272 CD2 TRP A 79 -0.131 10.497 -7.822 1.00 1.00 C ATOM 1273 NE1 TRP A 79 2.040 10.913 -7.806 1.00 1.00 N ATOM 1274 CE2 TRP A 79 0.826 11.462 -7.434 1.00 1.00 C ATOM 1275 CE3 TRP A 79 -1.488 10.771 -7.573 1.00 1.00 C ATOM 1276 CZ2 TRP A 79 0.451 12.658 -6.820 1.00 1.00 C ATOM 1277 CZ3 TRP A 79 -1.868 11.973 -6.954 1.00 1.00 C ATOM 1278 CH2 TRP A 79 -0.901 12.913 -6.578 1.00 1.00 C ATOM 0 H TRP A 79 1.430 6.312 -8.166 1.00 1.00 H new ATOM 0 HA TRP A 79 -0.686 7.739 -6.964 1.00 1.00 H new ATOM 0 HB2 TRP A 79 0.691 7.622 -9.645 1.00 1.00 H new ATOM 0 HB3 TRP A 79 -0.897 8.363 -9.618 1.00 1.00 H new ATOM 0 HD1 TRP A 79 2.678 9.044 -8.769 1.00 1.00 H new ATOM 0 HE1 TRP A 79 2.942 11.367 -7.663 1.00 1.00 H new ATOM 0 HE3 TRP A 79 -2.242 10.053 -7.859 1.00 1.00 H new ATOM 0 HZ2 TRP A 79 1.201 13.381 -6.534 1.00 1.00 H new ATOM 0 HZ3 TRP A 79 -2.913 12.173 -6.767 1.00 1.00 H new ATOM 0 HH2 TRP A 79 -1.200 13.835 -6.101 1.00 1.00 H new ATOM 1289 N ALA A 80 -1.592 5.439 -9.178 1.00 1.00 N ATOM 1290 CA ALA A 80 -2.730 4.655 -9.626 1.00 1.00 C ATOM 1291 C ALA A 80 -3.378 3.932 -8.450 1.00 1.00 C ATOM 1292 O ALA A 80 -4.603 3.881 -8.348 1.00 1.00 O ATOM 1293 CB ALA A 80 -2.268 3.634 -10.668 1.00 1.00 C ATOM 0 H ALA A 80 -0.709 5.202 -9.630 1.00 1.00 H new ATOM 0 HA ALA A 80 -3.466 5.325 -10.070 1.00 1.00 H new ATOM 0 HB1 ALA A 80 -3.122 3.046 -11.004 1.00 1.00 H new ATOM 0 HB2 ALA A 80 -1.829 4.155 -11.519 1.00 1.00 H new ATOM 0 HB3 ALA A 80 -1.524 2.973 -10.224 1.00 1.00 H new ATOM 1299 N ALA A 81 -2.547 3.380 -7.570 1.00 1.00 N ATOM 1300 CA ALA A 81 -3.055 2.665 -6.405 1.00 1.00 C ATOM 1301 C ALA A 81 -3.790 3.618 -5.462 1.00 1.00 C ATOM 1302 O ALA A 81 -4.883 3.315 -4.986 1.00 1.00 O ATOM 1303 CB ALA A 81 -1.900 1.995 -5.656 1.00 1.00 C ATOM 0 H ALA A 81 -1.530 3.413 -7.640 1.00 1.00 H new ATOM 0 HA ALA A 81 -3.755 1.904 -6.751 1.00 1.00 H new ATOM 0 HB1 ALA A 81 -2.289 1.464 -4.788 1.00 1.00 H new ATOM 0 HB2 ALA A 81 -1.398 1.290 -6.318 1.00 1.00 H new ATOM 0 HB3 ALA A 81 -1.190 2.754 -5.328 1.00 1.00 H new ATOM 1309 N LYS A 82 -3.181 4.771 -5.199 1.00 1.00 N ATOM 1310 CA LYS A 82 -3.781 5.764 -4.312 1.00 1.00 C ATOM 1311 C LYS A 82 -5.132 6.220 -4.856 1.00 1.00 C ATOM 1312 O LYS A 82 -6.091 6.386 -4.102 1.00 1.00 O ATOM 1313 CB LYS A 82 -2.834 6.965 -4.163 1.00 1.00 C ATOM 1314 CG LYS A 82 -3.397 7.958 -3.137 1.00 1.00 C ATOM 1315 CD LYS A 82 -2.396 9.102 -2.940 1.00 1.00 C ATOM 1316 CE LYS A 82 -2.936 10.097 -1.908 1.00 1.00 C ATOM 1317 NZ LYS A 82 -1.901 11.135 -1.623 1.00 1.00 N ATOM 0 H LYS A 82 -2.276 5.040 -5.585 1.00 1.00 H new ATOM 0 HA LYS A 82 -3.941 5.312 -3.333 1.00 1.00 H new ATOM 0 HB2 LYS A 82 -1.848 6.623 -3.847 1.00 1.00 H new ATOM 0 HB3 LYS A 82 -2.706 7.459 -5.126 1.00 1.00 H new ATOM 0 HG2 LYS A 82 -4.354 8.351 -3.481 1.00 1.00 H new ATOM 0 HG3 LYS A 82 -3.582 7.454 -2.189 1.00 1.00 H new ATOM 0 HD2 LYS A 82 -1.437 8.704 -2.607 1.00 1.00 H new ATOM 0 HD3 LYS A 82 -2.219 9.609 -3.889 1.00 1.00 H new ATOM 0 HE2 LYS A 82 -3.844 10.568 -2.283 1.00 1.00 H new ATOM 0 HE3 LYS A 82 -3.204 9.574 -0.990 1.00 1.00 H new ATOM 0 HZ1 LYS A 82 -2.355 12.068 -1.553 1.00 1.00 H new ATOM 0 HZ2 LYS A 82 -1.425 10.913 -0.725 1.00 1.00 H new ATOM 0 HZ3 LYS A 82 -1.201 11.148 -2.392 1.00 1.00 H new ATOM 1331 N ALA A 83 -5.209 6.417 -6.168 1.00 1.00 N ATOM 1332 CA ALA A 83 -6.457 6.852 -6.792 1.00 1.00 C ATOM 1333 C ALA A 83 -7.605 5.925 -6.399 1.00 1.00 C ATOM 1334 O ALA A 83 -8.646 6.390 -5.934 1.00 1.00 O ATOM 1335 CB ALA A 83 -6.302 6.847 -8.316 1.00 1.00 C ATOM 0 H ALA A 83 -4.432 6.285 -6.815 1.00 1.00 H new ATOM 0 HA ALA A 83 -6.683 7.861 -6.447 1.00 1.00 H new ATOM 0 HB1 ALA A 83 -7.234 7.172 -8.778 1.00 1.00 H new ATOM 0 HB2 ALA A 83 -5.499 7.527 -8.602 1.00 1.00 H new ATOM 0 HB3 ALA A 83 -6.062 5.839 -8.654 1.00 1.00 H new ATOM 1341 N ASP A 84 -7.404 4.624 -6.583 1.00 1.00 N ATOM 1342 CA ASP A 84 -8.432 3.640 -6.241 1.00 1.00 C ATOM 1343 C ASP A 84 -8.978 3.907 -4.834 1.00 1.00 C ATOM 1344 O ASP A 84 -10.184 3.841 -4.603 1.00 1.00 O ATOM 1345 CB ASP A 84 -7.847 2.223 -6.304 1.00 1.00 C ATOM 1346 CG ASP A 84 -7.544 1.840 -7.749 1.00 1.00 C ATOM 1347 OD1 ASP A 84 -7.988 2.550 -8.637 1.00 1.00 O ATOM 1348 OD2 ASP A 84 -6.876 0.838 -7.948 1.00 1.00 O ATOM 0 H ASP A 84 -6.546 4.226 -6.964 1.00 1.00 H new ATOM 0 HA ASP A 84 -9.246 3.726 -6.961 1.00 1.00 H new ATOM 0 HB2 ASP A 84 -6.936 2.171 -5.708 1.00 1.00 H new ATOM 0 HB3 ASP A 84 -8.551 1.512 -5.872 1.00 1.00 H new ATOM 1353 N ALA A 85 -8.082 4.218 -3.902 1.00 1.00 N ATOM 1354 CA ALA A 85 -8.485 4.501 -2.527 1.00 1.00 C ATOM 1355 C ALA A 85 -9.378 5.738 -2.474 1.00 1.00 C ATOM 1356 O ALA A 85 -10.349 5.785 -1.721 1.00 1.00 O ATOM 1357 CB ALA A 85 -7.242 4.723 -1.658 1.00 1.00 C ATOM 0 H ALA A 85 -7.078 4.280 -4.071 1.00 1.00 H new ATOM 0 HA ALA A 85 -9.047 3.648 -2.146 1.00 1.00 H new ATOM 0 HB1 ALA A 85 -7.547 4.934 -0.633 1.00 1.00 H new ATOM 0 HB2 ALA A 85 -6.622 3.827 -1.675 1.00 1.00 H new ATOM 0 HB3 ALA A 85 -6.672 5.566 -2.047 1.00 1.00 H new ATOM 1363 N LEU A 86 -9.040 6.737 -3.283 1.00 1.00 N ATOM 1364 CA LEU A 86 -9.812 7.976 -3.328 1.00 1.00 C ATOM 1365 C LEU A 86 -11.110 7.767 -4.103 1.00 1.00 C ATOM 1366 O LEU A 86 -12.086 8.489 -3.899 1.00 1.00 O ATOM 1367 CB LEU A 86 -8.978 9.065 -4.008 1.00 1.00 C ATOM 1368 CG LEU A 86 -7.704 9.349 -3.181 1.00 1.00 C ATOM 1369 CD1 LEU A 86 -6.749 10.213 -4.011 1.00 1.00 C ATOM 1370 CD2 LEU A 86 -8.045 10.084 -1.864 1.00 1.00 C ATOM 0 H LEU A 86 -8.240 6.714 -3.915 1.00 1.00 H new ATOM 0 HA LEU A 86 -10.058 8.279 -2.310 1.00 1.00 H new ATOM 0 HB2 LEU A 86 -8.705 8.750 -5.015 1.00 1.00 H new ATOM 0 HB3 LEU A 86 -9.567 9.977 -4.108 1.00 1.00 H new ATOM 0 HG LEU A 86 -7.235 8.398 -2.931 1.00 1.00 H new ATOM 0 HD11 LEU A 86 -5.848 10.417 -3.433 1.00 1.00 H new ATOM 0 HD12 LEU A 86 -6.481 9.684 -4.926 1.00 1.00 H new ATOM 0 HD13 LEU A 86 -7.238 11.154 -4.266 1.00 1.00 H new ATOM 0 HD21 LEU A 86 -7.129 10.270 -1.304 1.00 1.00 H new ATOM 0 HD22 LEU A 86 -8.530 11.033 -2.092 1.00 1.00 H new ATOM 0 HD23 LEU A 86 -8.717 9.468 -1.267 1.00 1.00 H new ATOM 1382 N ARG A 87 -11.112 6.771 -4.982 1.00 1.00 N ATOM 1383 CA ARG A 87 -12.295 6.482 -5.786 1.00 1.00 C ATOM 1384 C ARG A 87 -13.452 6.041 -4.899 1.00 1.00 C ATOM 1385 O ARG A 87 -14.608 6.061 -5.322 1.00 1.00 O ATOM 1386 CB ARG A 87 -11.975 5.389 -6.813 1.00 1.00 C ATOM 1387 CG ARG A 87 -13.136 5.251 -7.798 1.00 1.00 C ATOM 1388 CD ARG A 87 -12.735 4.305 -8.932 1.00 1.00 C ATOM 1389 NE ARG A 87 -12.558 2.949 -8.424 1.00 1.00 N ATOM 1390 CZ ARG A 87 -12.132 1.969 -9.216 1.00 1.00 C ATOM 1391 NH1 ARG A 87 -11.869 2.212 -10.471 1.00 1.00 N ATOM 1392 NH2 ARG A 87 -11.979 0.766 -8.738 1.00 1.00 N ATOM 0 H ARG A 87 -10.317 6.156 -5.155 1.00 1.00 H new ATOM 0 HA ARG A 87 -12.589 7.391 -6.310 1.00 1.00 H new ATOM 0 HB2 ARG A 87 -11.059 5.637 -7.349 1.00 1.00 H new ATOM 0 HB3 ARG A 87 -11.801 4.440 -6.306 1.00 1.00 H new ATOM 0 HG2 ARG A 87 -14.018 4.867 -7.285 1.00 1.00 H new ATOM 0 HG3 ARG A 87 -13.402 6.228 -8.202 1.00 1.00 H new ATOM 0 HD2 ARG A 87 -13.500 4.312 -9.708 1.00 1.00 H new ATOM 0 HD3 ARG A 87 -11.810 4.651 -9.393 1.00 1.00 H new ATOM 0 HE ARG A 87 -12.764 2.749 -7.445 1.00 1.00 H new ATOM 0 HH11 ARG A 87 -11.990 3.153 -10.844 1.00 1.00 H new ATOM 0 HH12 ARG A 87 -11.542 1.461 -11.078 1.00 1.00 H new ATOM 0 HH21 ARG A 87 -12.186 0.577 -7.757 1.00 1.00 H new ATOM 0 HH22 ARG A 87 -11.652 0.014 -9.345 1.00 1.00 H new ATOM 1406 N TYR A 88 -13.128 5.642 -3.674 1.00 1.00 N ATOM 1407 CA TYR A 88 -14.142 5.192 -2.714 1.00 1.00 C ATOM 1408 C TYR A 88 -13.798 5.676 -1.306 1.00 1.00 C ATOM 1409 O TYR A 88 -13.399 4.893 -0.442 1.00 1.00 O ATOM 1410 CB TYR A 88 -14.229 3.657 -2.735 1.00 1.00 C ATOM 1411 CG TYR A 88 -15.510 3.204 -2.063 1.00 1.00 C ATOM 1412 CD1 TYR A 88 -16.715 3.242 -2.775 1.00 1.00 C ATOM 1413 CD2 TYR A 88 -15.496 2.755 -0.737 1.00 1.00 C ATOM 1414 CE1 TYR A 88 -17.905 2.834 -2.160 1.00 1.00 C ATOM 1415 CE2 TYR A 88 -16.685 2.346 -0.124 1.00 1.00 C ATOM 1416 CZ TYR A 88 -17.889 2.384 -0.836 1.00 1.00 C ATOM 1417 OH TYR A 88 -19.061 1.982 -0.227 1.00 1.00 O ATOM 0 H TYR A 88 -12.173 5.619 -3.318 1.00 1.00 H new ATOM 0 HA TYR A 88 -15.107 5.613 -2.998 1.00 1.00 H new ATOM 0 HB2 TYR A 88 -14.200 3.296 -3.763 1.00 1.00 H new ATOM 0 HB3 TYR A 88 -13.368 3.228 -2.223 1.00 1.00 H new ATOM 0 HD1 TYR A 88 -16.727 3.586 -3.799 1.00 1.00 H new ATOM 0 HD2 TYR A 88 -14.567 2.724 -0.187 1.00 1.00 H new ATOM 0 HE1 TYR A 88 -18.835 2.867 -2.708 1.00 1.00 H new ATOM 0 HE2 TYR A 88 -16.674 2.001 0.899 1.00 1.00 H new ATOM 0 HH TYR A 88 -18.872 1.698 0.692 1.00 1.00 H new ATOM 1427 N ILE A 89 -13.952 6.973 -1.065 1.00 1.00 N ATOM 1428 CA ILE A 89 -13.664 7.579 0.247 1.00 1.00 C ATOM 1429 C ILE A 89 -14.842 8.430 0.711 1.00 1.00 C ATOM 1430 O ILE A 89 -15.661 8.876 -0.093 1.00 1.00 O ATOM 1431 CB ILE A 89 -12.395 8.444 0.158 1.00 1.00 C ATOM 1432 CG1 ILE A 89 -12.036 8.978 1.557 1.00 1.00 C ATOM 1433 CG2 ILE A 89 -12.628 9.624 -0.795 1.00 1.00 C ATOM 1434 CD1 ILE A 89 -10.630 9.577 1.535 1.00 1.00 C ATOM 0 H ILE A 89 -14.278 7.639 -1.765 1.00 1.00 H new ATOM 0 HA ILE A 89 -13.503 6.781 0.972 1.00 1.00 H new ATOM 0 HB ILE A 89 -11.576 7.834 -0.223 1.00 1.00 H new ATOM 0 HG12 ILE A 89 -12.759 9.734 1.865 1.00 1.00 H new ATOM 0 HG13 ILE A 89 -12.087 8.172 2.289 1.00 1.00 H new ATOM 0 HG21 ILE A 89 -11.724 10.230 -0.851 1.00 1.00 H new ATOM 0 HG22 ILE A 89 -12.874 9.247 -1.788 1.00 1.00 H new ATOM 0 HG23 ILE A 89 -13.452 10.234 -0.424 1.00 1.00 H new ATOM 0 HD11 ILE A 89 -10.379 9.954 2.527 1.00 1.00 H new ATOM 0 HD12 ILE A 89 -9.912 8.809 1.246 1.00 1.00 H new ATOM 0 HD13 ILE A 89 -10.594 10.396 0.816 1.00 1.00 H new ATOM 1446 N GLU A 90 -14.927 8.667 2.017 1.00 1.00 N ATOM 1447 CA GLU A 90 -16.007 9.471 2.576 1.00 1.00 C ATOM 1448 C GLU A 90 -16.046 10.842 1.914 1.00 1.00 C ATOM 1449 O GLU A 90 -15.011 11.454 1.647 1.00 1.00 O ATOM 1450 CB GLU A 90 -15.810 9.626 4.086 1.00 1.00 C ATOM 1451 CG GLU A 90 -14.388 10.120 4.378 1.00 1.00 C ATOM 1452 CD GLU A 90 -14.212 10.338 5.878 1.00 1.00 C ATOM 1453 OE1 GLU A 90 -15.183 10.700 6.521 1.00 1.00 O ATOM 1454 OE2 GLU A 90 -13.109 10.140 6.360 1.00 1.00 O ATOM 0 H GLU A 90 -14.262 8.314 2.706 1.00 1.00 H new ATOM 0 HA GLU A 90 -16.954 8.966 2.387 1.00 1.00 H new ATOM 0 HB2 GLU A 90 -16.539 10.331 4.486 1.00 1.00 H new ATOM 0 HB3 GLU A 90 -15.983 8.672 4.584 1.00 1.00 H new ATOM 0 HG2 GLU A 90 -13.660 9.392 4.020 1.00 1.00 H new ATOM 0 HG3 GLU A 90 -14.199 11.050 3.842 1.00 1.00 H new ATOM 1461 N GLY A 91 -17.249 11.335 1.638 1.00 1.00 N ATOM 1462 CA GLY A 91 -17.417 12.634 1.003 1.00 1.00 C ATOM 1463 C GLY A 91 -17.020 12.570 -0.467 1.00 1.00 C ATOM 1464 O GLY A 91 -16.124 11.817 -0.850 1.00 1.00 O ATOM 0 H GLY A 91 -18.123 10.852 1.845 1.00 1.00 H new ATOM 0 HA2 GLY A 91 -18.455 12.956 1.091 1.00 1.00 H new ATOM 0 HA3 GLY A 91 -16.808 13.377 1.517 1.00 1.00 H new ATOM 1468 N LYS A 92 -17.684 13.374 -1.290 1.00 1.00 N ATOM 1469 CA LYS A 92 -17.395 13.419 -2.738 1.00 1.00 C ATOM 1470 C LYS A 92 -16.951 14.820 -3.133 1.00 1.00 C ATOM 1471 O LYS A 92 -17.768 15.703 -3.393 1.00 1.00 O ATOM 1472 CB LYS A 92 -18.642 13.022 -3.544 1.00 1.00 C ATOM 1473 CG LYS A 92 -18.975 11.551 -3.276 1.00 1.00 C ATOM 1474 CD LYS A 92 -20.227 11.150 -4.064 1.00 1.00 C ATOM 1475 CE LYS A 92 -20.602 9.706 -3.718 1.00 1.00 C ATOM 1476 NZ LYS A 92 -19.483 8.798 -4.099 1.00 1.00 N ATOM 0 H LYS A 92 -18.426 14.006 -0.990 1.00 1.00 H new ATOM 0 HA LYS A 92 -16.595 12.712 -2.958 1.00 1.00 H new ATOM 0 HB2 LYS A 92 -19.485 13.654 -3.265 1.00 1.00 H new ATOM 0 HB3 LYS A 92 -18.465 13.178 -4.608 1.00 1.00 H new ATOM 0 HG2 LYS A 92 -18.135 10.920 -3.565 1.00 1.00 H new ATOM 0 HG3 LYS A 92 -19.139 11.394 -2.210 1.00 1.00 H new ATOM 0 HD2 LYS A 92 -21.052 11.820 -3.823 1.00 1.00 H new ATOM 0 HD3 LYS A 92 -20.043 11.244 -5.134 1.00 1.00 H new ATOM 0 HE2 LYS A 92 -20.809 9.618 -2.651 1.00 1.00 H new ATOM 0 HE3 LYS A 92 -21.513 9.419 -4.244 1.00 1.00 H new ATOM 0 HZ1 LYS A 92 -19.833 7.820 -4.156 1.00 1.00 H new ATOM 0 HZ2 LYS A 92 -19.103 9.084 -5.024 1.00 1.00 H new ATOM 0 HZ3 LYS A 92 -18.730 8.855 -3.383 1.00 1.00 H new ATOM 1490 N GLU A 93 -15.637 15.016 -3.191 1.00 1.00 N ATOM 1491 CA GLU A 93 -15.054 16.315 -3.555 1.00 1.00 C ATOM 1492 C GLU A 93 -14.230 16.180 -4.812 1.00 1.00 C ATOM 1493 O GLU A 93 -13.074 16.598 -4.866 1.00 1.00 O ATOM 1494 CB GLU A 93 -14.161 16.830 -2.425 1.00 1.00 C ATOM 1495 CG GLU A 93 -15.026 17.162 -1.212 1.00 1.00 C ATOM 1496 CD GLU A 93 -14.150 17.614 -0.049 1.00 1.00 C ATOM 1497 OE1 GLU A 93 -12.944 17.685 -0.228 1.00 1.00 O ATOM 1498 OE2 GLU A 93 -14.699 17.886 1.007 1.00 1.00 O ATOM 0 H GLU A 93 -14.948 14.291 -2.990 1.00 1.00 H new ATOM 0 HA GLU A 93 -15.867 17.021 -3.725 1.00 1.00 H new ATOM 0 HB2 GLU A 93 -13.418 16.078 -2.161 1.00 1.00 H new ATOM 0 HB3 GLU A 93 -13.616 17.716 -2.751 1.00 1.00 H new ATOM 0 HG2 GLU A 93 -15.738 17.947 -1.468 1.00 1.00 H new ATOM 0 HG3 GLU A 93 -15.607 16.287 -0.920 1.00 1.00 H new ATOM 1505 N VAL A 94 -14.833 15.593 -5.841 1.00 1.00 N ATOM 1506 CA VAL A 94 -14.147 15.392 -7.130 1.00 1.00 C ATOM 1507 C VAL A 94 -12.656 15.100 -6.929 1.00 1.00 C ATOM 1508 O VAL A 94 -11.819 15.444 -7.763 1.00 1.00 O ATOM 1509 CB VAL A 94 -14.306 16.644 -8.013 1.00 1.00 C ATOM 1510 CG1 VAL A 94 -15.784 16.851 -8.344 1.00 1.00 C ATOM 1511 CG2 VAL A 94 -13.774 17.900 -7.294 1.00 1.00 C ATOM 0 H VAL A 94 -15.792 15.246 -5.816 1.00 1.00 H new ATOM 0 HA VAL A 94 -14.605 14.533 -7.620 1.00 1.00 H new ATOM 0 HB VAL A 94 -13.731 16.492 -8.926 1.00 1.00 H new ATOM 0 HG11 VAL A 94 -15.896 17.737 -8.969 1.00 1.00 H new ATOM 0 HG12 VAL A 94 -16.163 15.980 -8.878 1.00 1.00 H new ATOM 0 HG13 VAL A 94 -16.348 16.984 -7.421 1.00 1.00 H new ATOM 0 HG21 VAL A 94 -13.899 18.769 -7.940 1.00 1.00 H new ATOM 0 HG22 VAL A 94 -14.330 18.053 -6.369 1.00 1.00 H new ATOM 0 HG23 VAL A 94 -12.717 17.767 -7.064 1.00 1.00 H new ATOM 1521 N GLU A 95 -12.332 14.474 -5.802 1.00 1.00 N ATOM 1522 CA GLU A 95 -10.944 14.161 -5.480 1.00 1.00 C ATOM 1523 C GLU A 95 -10.416 13.067 -6.397 1.00 1.00 C ATOM 1524 O GLU A 95 -9.334 13.186 -6.976 1.00 1.00 O ATOM 1525 CB GLU A 95 -10.840 13.725 -4.010 1.00 1.00 C ATOM 1526 CG GLU A 95 -9.369 13.670 -3.578 1.00 1.00 C ATOM 1527 CD GLU A 95 -8.793 15.082 -3.464 1.00 1.00 C ATOM 1528 OE1 GLU A 95 -9.557 16.025 -3.578 1.00 1.00 O ATOM 1529 OE2 GLU A 95 -7.594 15.195 -3.264 1.00 1.00 O ATOM 0 H GLU A 95 -13.008 14.175 -5.099 1.00 1.00 H new ATOM 0 HA GLU A 95 -10.336 15.053 -5.631 1.00 1.00 H new ATOM 0 HB2 GLU A 95 -11.387 14.423 -3.376 1.00 1.00 H new ATOM 0 HB3 GLU A 95 -11.302 12.746 -3.879 1.00 1.00 H new ATOM 0 HG2 GLU A 95 -9.284 13.157 -2.620 1.00 1.00 H new ATOM 0 HG3 GLU A 95 -8.793 13.093 -4.301 1.00 1.00 H new ATOM 1536 N ALA A 96 -11.186 11.993 -6.532 1.00 1.00 N ATOM 1537 CA ALA A 96 -10.789 10.879 -7.385 1.00 1.00 C ATOM 1538 C ALA A 96 -10.417 11.370 -8.785 1.00 1.00 C ATOM 1539 O ALA A 96 -9.682 10.700 -9.511 1.00 1.00 O ATOM 1540 CB ALA A 96 -11.935 9.870 -7.475 1.00 1.00 C ATOM 0 H ALA A 96 -12.084 11.870 -6.064 1.00 1.00 H new ATOM 0 HA ALA A 96 -9.913 10.400 -6.947 1.00 1.00 H new ATOM 0 HB1 ALA A 96 -11.638 9.038 -8.113 1.00 1.00 H new ATOM 0 HB2 ALA A 96 -12.171 9.497 -6.478 1.00 1.00 H new ATOM 0 HB3 ALA A 96 -12.815 10.355 -7.898 1.00 1.00 H new ATOM 1546 N GLU A 97 -10.932 12.538 -9.154 1.00 1.00 N ATOM 1547 CA GLU A 97 -10.650 13.098 -10.471 1.00 1.00 C ATOM 1548 C GLU A 97 -9.187 13.525 -10.572 1.00 1.00 C ATOM 1549 O GLU A 97 -8.494 13.183 -11.530 1.00 1.00 O ATOM 1550 CB GLU A 97 -11.562 14.308 -10.720 1.00 1.00 C ATOM 1551 CG GLU A 97 -11.407 14.795 -12.164 1.00 1.00 C ATOM 1552 CD GLU A 97 -12.378 15.944 -12.433 1.00 1.00 C ATOM 1553 OE1 GLU A 97 -12.934 16.462 -11.478 1.00 1.00 O ATOM 1554 OE2 GLU A 97 -12.553 16.287 -13.590 1.00 1.00 O ATOM 0 H GLU A 97 -11.540 13.110 -8.568 1.00 1.00 H new ATOM 0 HA GLU A 97 -10.841 12.334 -11.225 1.00 1.00 H new ATOM 0 HB2 GLU A 97 -12.600 14.036 -10.529 1.00 1.00 H new ATOM 0 HB3 GLU A 97 -11.310 15.112 -10.028 1.00 1.00 H new ATOM 0 HG2 GLU A 97 -10.383 15.125 -12.338 1.00 1.00 H new ATOM 0 HG3 GLU A 97 -11.600 13.975 -12.856 1.00 1.00 H new ATOM 1561 N ILE A 98 -8.718 14.273 -9.577 1.00 1.00 N ATOM 1562 CA ILE A 98 -7.336 14.743 -9.571 1.00 1.00 C ATOM 1563 C ILE A 98 -6.385 13.547 -9.641 1.00 1.00 C ATOM 1564 O ILE A 98 -5.428 13.560 -10.414 1.00 1.00 O ATOM 1565 CB ILE A 98 -7.068 15.562 -8.278 1.00 1.00 C ATOM 1566 CG1 ILE A 98 -7.649 16.979 -8.432 1.00 1.00 C ATOM 1567 CG2 ILE A 98 -5.551 15.674 -7.996 1.00 1.00 C ATOM 1568 CD1 ILE A 98 -9.159 16.903 -8.676 1.00 1.00 C ATOM 0 H ILE A 98 -9.270 14.565 -8.770 1.00 1.00 H new ATOM 0 HA ILE A 98 -7.167 15.382 -10.438 1.00 1.00 H new ATOM 0 HB ILE A 98 -7.546 15.045 -7.446 1.00 1.00 H new ATOM 0 HG12 ILE A 98 -7.446 17.563 -7.534 1.00 1.00 H new ATOM 0 HG13 ILE A 98 -7.164 17.492 -9.262 1.00 1.00 H new ATOM 0 HG21 ILE A 98 -5.392 16.252 -7.086 1.00 1.00 H new ATOM 0 HG22 ILE A 98 -5.130 14.677 -7.871 1.00 1.00 H new ATOM 0 HG23 ILE A 98 -5.061 16.172 -8.833 1.00 1.00 H new ATOM 0 HD11 ILE A 98 -9.561 17.910 -8.784 1.00 1.00 H new ATOM 0 HD12 ILE A 98 -9.352 16.336 -9.586 1.00 1.00 H new ATOM 0 HD13 ILE A 98 -9.640 16.409 -7.832 1.00 1.00 H new ATOM 1580 N ALA A 99 -6.647 12.522 -8.836 1.00 1.00 N ATOM 1581 CA ALA A 99 -5.786 11.348 -8.826 1.00 1.00 C ATOM 1582 C ALA A 99 -5.870 10.602 -10.150 1.00 1.00 C ATOM 1583 O ALA A 99 -4.846 10.272 -10.747 1.00 1.00 O ATOM 1584 CB ALA A 99 -6.194 10.423 -7.676 1.00 1.00 C ATOM 0 H ALA A 99 -7.437 12.481 -8.192 1.00 1.00 H new ATOM 0 HA ALA A 99 -4.755 11.673 -8.684 1.00 1.00 H new ATOM 0 HB1 ALA A 99 -5.549 9.544 -7.669 1.00 1.00 H new ATOM 0 HB2 ALA A 99 -6.094 10.954 -6.729 1.00 1.00 H new ATOM 0 HB3 ALA A 99 -7.230 10.111 -7.810 1.00 1.00 H new ATOM 1590 N GLU A 100 -7.099 10.351 -10.588 1.00 1.00 N ATOM 1591 CA GLU A 100 -7.305 9.637 -11.842 1.00 1.00 C ATOM 1592 C GLU A 100 -6.547 10.323 -12.978 1.00 1.00 C ATOM 1593 O GLU A 100 -5.876 9.661 -13.771 1.00 1.00 O ATOM 1594 CB GLU A 100 -8.797 9.594 -12.179 1.00 1.00 C ATOM 1595 CG GLU A 100 -9.026 8.729 -13.421 1.00 1.00 C ATOM 1596 CD GLU A 100 -10.519 8.612 -13.707 1.00 1.00 C ATOM 1597 OE1 GLU A 100 -11.299 8.926 -12.823 1.00 1.00 O ATOM 1598 OE2 GLU A 100 -10.862 8.208 -14.807 1.00 1.00 O ATOM 0 H GLU A 100 -7.953 10.626 -10.103 1.00 1.00 H new ATOM 0 HA GLU A 100 -6.928 8.621 -11.727 1.00 1.00 H new ATOM 0 HB2 GLU A 100 -9.358 9.191 -11.336 1.00 1.00 H new ATOM 0 HB3 GLU A 100 -9.168 10.604 -12.355 1.00 1.00 H new ATOM 0 HG2 GLU A 100 -8.516 9.168 -14.279 1.00 1.00 H new ATOM 0 HG3 GLU A 100 -8.598 7.738 -13.268 1.00 1.00 H new ATOM 1605 N ALA A 101 -6.656 11.646 -13.047 1.00 1.00 N ATOM 1606 CA ALA A 101 -5.970 12.406 -14.088 1.00 1.00 C ATOM 1607 C ALA A 101 -4.462 12.430 -13.841 1.00 1.00 C ATOM 1608 O ALA A 101 -3.667 12.286 -14.770 1.00 1.00 O ATOM 1609 CB ALA A 101 -6.503 13.841 -14.133 1.00 1.00 C ATOM 0 H ALA A 101 -7.207 12.211 -12.401 1.00 1.00 H new ATOM 0 HA ALA A 101 -6.161 11.917 -15.043 1.00 1.00 H new ATOM 0 HB1 ALA A 101 -5.984 14.398 -14.913 1.00 1.00 H new ATOM 0 HB2 ALA A 101 -7.571 13.826 -14.348 1.00 1.00 H new ATOM 0 HB3 ALA A 101 -6.334 14.322 -13.170 1.00 1.00 H new ATOM 1615 N ARG A 102 -4.076 12.616 -12.583 1.00 1.00 N ATOM 1616 CA ARG A 102 -2.661 12.668 -12.225 1.00 1.00 C ATOM 1617 C ARG A 102 -1.967 11.356 -12.581 1.00 1.00 C ATOM 1618 O ARG A 102 -0.865 11.351 -13.129 1.00 1.00 O ATOM 1619 CB ARG A 102 -2.505 12.943 -10.720 1.00 1.00 C ATOM 1620 CG ARG A 102 -1.022 13.217 -10.350 1.00 1.00 C ATOM 1621 CD ARG A 102 -0.659 14.683 -10.633 1.00 1.00 C ATOM 1622 NE ARG A 102 0.707 14.953 -10.218 1.00 1.00 N ATOM 1623 CZ ARG A 102 1.252 16.146 -10.417 1.00 1.00 C ATOM 1624 NH1 ARG A 102 0.559 17.089 -10.996 1.00 1.00 N ATOM 1625 NH2 ARG A 102 2.478 16.373 -10.041 1.00 1.00 N ATOM 0 H ARG A 102 -4.717 12.733 -11.798 1.00 1.00 H new ATOM 0 HA ARG A 102 -2.195 13.476 -12.789 1.00 1.00 H new ATOM 0 HB2 ARG A 102 -3.117 13.800 -10.439 1.00 1.00 H new ATOM 0 HB3 ARG A 102 -2.873 12.089 -10.152 1.00 1.00 H new ATOM 0 HG2 ARG A 102 -0.856 12.992 -9.296 1.00 1.00 H new ATOM 0 HG3 ARG A 102 -0.370 12.558 -10.923 1.00 1.00 H new ATOM 0 HD2 ARG A 102 -0.772 14.894 -11.696 1.00 1.00 H new ATOM 0 HD3 ARG A 102 -1.345 15.344 -10.103 1.00 1.00 H new ATOM 0 HE ARG A 102 1.253 14.218 -9.769 1.00 1.00 H new ATOM 0 HH11 ARG A 102 -0.399 16.908 -11.294 1.00 1.00 H new ATOM 0 HH12 ARG A 102 0.976 18.007 -11.150 1.00 1.00 H new ATOM 0 HH21 ARG A 102 3.019 15.633 -9.593 1.00 1.00 H new ATOM 0 HH22 ARG A 102 2.897 17.290 -10.194 1.00 1.00 H new ATOM 1639 N ALA A 103 -2.611 10.234 -12.273 1.00 1.00 N ATOM 1640 CA ALA A 103 -2.034 8.926 -12.564 1.00 1.00 C ATOM 1641 C ALA A 103 -2.033 8.653 -14.062 1.00 1.00 C ATOM 1642 O ALA A 103 -1.093 8.068 -14.600 1.00 1.00 O ATOM 1643 CB ALA A 103 -2.832 7.840 -11.843 1.00 1.00 C ATOM 0 H ALA A 103 -3.527 10.204 -11.825 1.00 1.00 H new ATOM 0 HA ALA A 103 -1.002 8.918 -12.212 1.00 1.00 H new ATOM 0 HB1 ALA A 103 -2.399 6.864 -12.062 1.00 1.00 H new ATOM 0 HB2 ALA A 103 -2.800 8.018 -10.768 1.00 1.00 H new ATOM 0 HB3 ALA A 103 -3.867 7.862 -12.184 1.00 1.00 H new ATOM 1649 N LYS A 104 -3.102 9.079 -14.726 1.00 1.00 N ATOM 1650 CA LYS A 104 -3.245 8.877 -16.174 1.00 1.00 C ATOM 1651 C LYS A 104 -2.778 10.117 -16.937 1.00 1.00 C ATOM 1652 O LYS A 104 -3.107 10.287 -18.111 1.00 1.00 O ATOM 1653 CB LYS A 104 -4.722 8.570 -16.513 1.00 1.00 C ATOM 1654 CG LYS A 104 -4.818 7.798 -17.839 1.00 1.00 C ATOM 1655 CD LYS A 104 -6.272 7.408 -18.099 1.00 1.00 C ATOM 1656 CE LYS A 104 -6.366 6.725 -19.465 1.00 1.00 C ATOM 1657 NZ LYS A 104 -5.614 5.439 -19.430 1.00 1.00 N ATOM 0 H LYS A 104 -3.885 9.567 -14.290 1.00 1.00 H new ATOM 0 HA LYS A 104 -2.624 8.034 -16.475 1.00 1.00 H new ATOM 0 HB2 LYS A 104 -5.172 7.985 -15.711 1.00 1.00 H new ATOM 0 HB3 LYS A 104 -5.286 9.500 -16.584 1.00 1.00 H new ATOM 0 HG2 LYS A 104 -4.444 8.413 -18.658 1.00 1.00 H new ATOM 0 HG3 LYS A 104 -4.193 6.906 -17.799 1.00 1.00 H new ATOM 0 HD2 LYS A 104 -6.628 6.737 -17.317 1.00 1.00 H new ATOM 0 HD3 LYS A 104 -6.909 8.292 -18.075 1.00 1.00 H new ATOM 0 HE2 LYS A 104 -7.410 6.542 -19.721 1.00 1.00 H new ATOM 0 HE3 LYS A 104 -5.958 7.376 -20.238 1.00 1.00 H new ATOM 0 HZ1 LYS A 104 -5.905 4.845 -20.233 1.00 1.00 H new ATOM 0 HZ2 LYS A 104 -4.594 5.632 -19.493 1.00 1.00 H new ATOM 0 HZ3 LYS A 104 -5.818 4.942 -18.540 1.00 1.00 H new ATOM 1671 N LEU A 105 -2.021 10.971 -16.258 1.00 1.00 N ATOM 1672 CA LEU A 105 -1.531 12.187 -16.891 1.00 1.00 C ATOM 1673 C LEU A 105 -0.604 11.832 -18.055 1.00 1.00 C ATOM 1674 O LEU A 105 0.506 11.338 -17.862 1.00 1.00 O ATOM 1675 CB LEU A 105 -0.788 13.052 -15.851 1.00 1.00 C ATOM 1676 CG LEU A 105 -0.833 14.552 -16.236 1.00 1.00 C ATOM 1677 CD1 LEU A 105 -0.297 14.745 -17.668 1.00 1.00 C ATOM 1678 CD2 LEU A 105 -2.287 15.110 -16.127 1.00 1.00 C ATOM 0 H LEU A 105 -1.738 10.847 -15.286 1.00 1.00 H new ATOM 0 HA LEU A 105 -2.374 12.756 -17.282 1.00 1.00 H new ATOM 0 HB2 LEU A 105 -1.239 12.912 -14.869 1.00 1.00 H new ATOM 0 HB3 LEU A 105 0.249 12.724 -15.775 1.00 1.00 H new ATOM 0 HG LEU A 105 -0.202 15.105 -15.540 1.00 1.00 H new ATOM 0 HD11 LEU A 105 -0.332 15.802 -17.930 1.00 1.00 H new ATOM 0 HD12 LEU A 105 0.733 14.392 -17.722 1.00 1.00 H new ATOM 0 HD13 LEU A 105 -0.912 14.177 -18.366 1.00 1.00 H new ATOM 0 HD21 LEU A 105 -2.294 16.165 -16.402 1.00 1.00 H new ATOM 0 HD22 LEU A 105 -2.941 14.555 -16.800 1.00 1.00 H new ATOM 0 HD23 LEU A 105 -2.643 15.000 -15.103 1.00 1.00 H new ATOM 1690 N GLU A 106 -1.071 12.091 -19.272 1.00 1.00 N ATOM 1691 CA GLU A 106 -0.292 11.805 -20.476 1.00 1.00 C ATOM 1692 C GLU A 106 0.761 12.888 -20.700 1.00 1.00 C ATOM 1693 O GLU A 106 1.931 12.710 -20.361 1.00 1.00 O ATOM 1694 CB GLU A 106 -1.223 11.733 -21.688 1.00 1.00 C ATOM 1695 CG GLU A 106 -2.131 10.507 -21.559 1.00 1.00 C ATOM 1696 CD GLU A 106 -3.151 10.482 -22.691 1.00 1.00 C ATOM 1697 OE1 GLU A 106 -3.071 11.337 -23.559 1.00 1.00 O ATOM 1698 OE2 GLU A 106 -4.005 9.610 -22.671 1.00 1.00 O ATOM 0 H GLU A 106 -1.988 12.500 -19.453 1.00 1.00 H new ATOM 0 HA GLU A 106 0.212 10.847 -20.347 1.00 1.00 H new ATOM 0 HB2 GLU A 106 -1.825 12.640 -21.753 1.00 1.00 H new ATOM 0 HB3 GLU A 106 -0.639 11.672 -22.606 1.00 1.00 H new ATOM 0 HG2 GLU A 106 -1.531 9.598 -21.581 1.00 1.00 H new ATOM 0 HG3 GLU A 106 -2.645 10.526 -20.598 1.00 1.00 H new ATOM 1705 N HIS A 107 0.348 14.013 -21.275 1.00 1.00 N ATOM 1706 CA HIS A 107 1.260 15.126 -21.543 1.00 1.00 C ATOM 1707 C HIS A 107 0.472 16.422 -21.741 1.00 1.00 C ATOM 1708 O HIS A 107 1.014 17.517 -21.592 1.00 1.00 O ATOM 1709 CB HIS A 107 2.097 14.823 -22.791 1.00 1.00 C ATOM 1710 CG HIS A 107 3.009 15.983 -23.093 1.00 1.00 C ATOM 1711 ND1 HIS A 107 2.578 17.096 -23.798 1.00 1.00 N ATOM 1712 CD2 HIS A 107 4.331 16.214 -22.802 1.00 1.00 C ATOM 1713 CE1 HIS A 107 3.622 17.939 -23.906 1.00 1.00 C ATOM 1714 NE2 HIS A 107 4.716 17.449 -23.317 1.00 1.00 N ATOM 0 H HIS A 107 -0.615 14.181 -21.566 1.00 1.00 H new ATOM 0 HA HIS A 107 1.925 15.250 -20.689 1.00 1.00 H new ATOM 0 HB2 HIS A 107 2.685 13.919 -22.634 1.00 1.00 H new ATOM 0 HB3 HIS A 107 1.442 14.634 -23.641 1.00 1.00 H new ATOM 0 HD2 HIS A 107 4.975 15.540 -22.256 1.00 1.00 H new ATOM 0 HE1 HIS A 107 3.580 18.895 -24.408 1.00 1.00 H new ATOM 0 HE2 HIS A 107 5.636 17.886 -23.257 1.00 1.00 H new ATOM 1723 N HIS A 108 -0.807 16.298 -22.074 1.00 1.00 N ATOM 1724 CA HIS A 108 -1.655 17.470 -22.284 1.00 1.00 C ATOM 1725 C HIS A 108 -1.985 18.126 -20.948 1.00 1.00 C ATOM 1726 O HIS A 108 -2.726 17.571 -20.135 1.00 1.00 O ATOM 1727 CB HIS A 108 -2.955 17.056 -22.986 1.00 1.00 C ATOM 1728 CG HIS A 108 -2.649 16.590 -24.384 1.00 1.00 C ATOM 1729 ND1 HIS A 108 -2.441 15.252 -24.690 1.00 1.00 N ATOM 1730 CD2 HIS A 108 -2.510 17.270 -25.566 1.00 1.00 C ATOM 1731 CE1 HIS A 108 -2.190 15.173 -26.009 1.00 1.00 C ATOM 1732 NE2 HIS A 108 -2.219 16.376 -26.592 1.00 1.00 N ATOM 0 H HIS A 108 -1.280 15.404 -22.204 1.00 1.00 H new ATOM 0 HA HIS A 108 -1.117 18.183 -22.909 1.00 1.00 H new ATOM 0 HB2 HIS A 108 -3.445 16.260 -22.426 1.00 1.00 H new ATOM 0 HB3 HIS A 108 -3.648 17.897 -23.016 1.00 1.00 H new ATOM 0 HD2 HIS A 108 -2.611 18.339 -25.683 1.00 1.00 H new ATOM 0 HE1 HIS A 108 -1.989 14.250 -26.533 1.00 1.00 H new ATOM 0 HE2 HIS A 108 -2.062 16.592 -27.576 1.00 1.00 H new ATOM 1741 N HIS A 109 -1.429 19.312 -20.721 1.00 1.00 N ATOM 1742 CA HIS A 109 -1.666 20.040 -19.480 1.00 1.00 C ATOM 1743 C HIS A 109 -3.121 20.480 -19.383 1.00 1.00 C ATOM 1744 O HIS A 109 -3.726 20.424 -18.313 1.00 1.00 O ATOM 1745 CB HIS A 109 -0.751 21.264 -19.407 1.00 1.00 C ATOM 1746 CG HIS A 109 -0.936 21.946 -18.079 1.00 1.00 C ATOM 1747 ND1 HIS A 109 -1.809 23.009 -17.909 1.00 1.00 N ATOM 1748 CD2 HIS A 109 -0.370 21.726 -16.846 1.00 1.00 C ATOM 1749 CE1 HIS A 109 -1.744 23.386 -16.619 1.00 1.00 C ATOM 1750 NE2 HIS A 109 -0.882 22.636 -15.927 1.00 1.00 N ATOM 0 H HIS A 109 -0.812 19.788 -21.379 1.00 1.00 H new ATOM 0 HA HIS A 109 -1.446 19.375 -18.645 1.00 1.00 H new ATOM 0 HB2 HIS A 109 0.289 20.963 -19.532 1.00 1.00 H new ATOM 0 HB3 HIS A 109 -0.983 21.954 -20.218 1.00 1.00 H new ATOM 0 HD2 HIS A 109 0.361 20.963 -16.624 1.00 1.00 H new ATOM 0 HE1 HIS A 109 -2.319 24.196 -16.195 1.00 1.00 H new ATOM 0 HE2 HIS A 109 -0.649 22.714 -14.937 1.00 1.00 H new ATOM 1759 N HIS A 110 -3.680 20.919 -20.506 1.00 1.00 N ATOM 1760 CA HIS A 110 -5.066 21.370 -20.530 1.00 1.00 C ATOM 1761 C HIS A 110 -6.009 20.217 -20.208 1.00 1.00 C ATOM 1762 O HIS A 110 -5.842 19.108 -20.716 1.00 1.00 O ATOM 1763 CB HIS A 110 -5.402 21.937 -21.911 1.00 1.00 C ATOM 1764 CG HIS A 110 -4.513 23.115 -22.202 1.00 1.00 C ATOM 1765 ND1 HIS A 110 -4.753 24.372 -21.669 1.00 1.00 N ATOM 1766 CD2 HIS A 110 -3.378 23.243 -22.966 1.00 1.00 C ATOM 1767 CE1 HIS A 110 -3.784 25.193 -22.115 1.00 1.00 C ATOM 1768 NE2 HIS A 110 -2.921 24.555 -22.909 1.00 1.00 N ATOM 0 H HIS A 110 -3.199 20.972 -21.404 1.00 1.00 H new ATOM 0 HA HIS A 110 -5.192 22.147 -19.776 1.00 1.00 H new ATOM 0 HB2 HIS A 110 -5.267 21.170 -22.673 1.00 1.00 H new ATOM 0 HB3 HIS A 110 -6.448 22.241 -21.946 1.00 1.00 H new ATOM 0 HD2 HIS A 110 -2.912 22.446 -23.526 1.00 1.00 H new ATOM 0 HE1 HIS A 110 -3.713 26.240 -21.861 1.00 1.00 H new ATOM 0 HE2 HIS A 110 -2.102 24.946 -23.374 1.00 1.00 H new ATOM 1777 N HIS A 111 -6.993 20.489 -19.358 1.00 1.00 N ATOM 1778 CA HIS A 111 -7.963 19.470 -18.965 1.00 1.00 C ATOM 1779 C HIS A 111 -8.969 19.227 -20.083 1.00 1.00 C ATOM 1780 O HIS A 111 -9.300 20.134 -20.846 1.00 1.00 O ATOM 1781 CB HIS A 111 -8.701 19.912 -17.699 1.00 1.00 C ATOM 1782 CG HIS A 111 -9.327 21.260 -17.925 1.00 1.00 C ATOM 1783 ND1 HIS A 111 -10.633 21.404 -18.367 1.00 1.00 N ATOM 1784 CD2 HIS A 111 -8.841 22.535 -17.771 1.00 1.00 C ATOM 1785 CE1 HIS A 111 -10.885 22.722 -18.464 1.00 1.00 C ATOM 1786 NE2 HIS A 111 -9.827 23.455 -18.112 1.00 1.00 N ATOM 0 H HIS A 111 -7.141 21.402 -18.929 1.00 1.00 H new ATOM 0 HA HIS A 111 -7.426 18.542 -18.768 1.00 1.00 H new ATOM 0 HB2 HIS A 111 -9.468 19.182 -17.440 1.00 1.00 H new ATOM 0 HB3 HIS A 111 -8.008 19.958 -16.859 1.00 1.00 H new ATOM 0 HD2 HIS A 111 -7.845 22.785 -17.436 1.00 1.00 H new ATOM 0 HE1 HIS A 111 -11.829 23.136 -18.787 1.00 1.00 H new ATOM 0 HE2 HIS A 111 -9.756 24.472 -18.096 1.00 1.00 H new ATOM 1795 N HIS A 112 -9.452 17.991 -20.176 1.00 1.00 N ATOM 1796 CA HIS A 112 -10.421 17.638 -21.206 1.00 1.00 C ATOM 1797 C HIS A 112 -11.709 18.439 -21.031 1.00 1.00 C ATOM 1798 O HIS A 112 -12.273 18.388 -19.952 1.00 1.00 O ATOM 1799 CB HIS A 112 -10.734 16.142 -21.136 1.00 1.00 C ATOM 1800 CG HIS A 112 -11.634 15.761 -22.279 1.00 1.00 C ATOM 1801 ND1 HIS A 112 -13.014 15.840 -22.191 1.00 1.00 N ATOM 1802 CD2 HIS A 112 -11.365 15.298 -23.543 1.00 1.00 C ATOM 1803 CE1 HIS A 112 -13.521 15.432 -23.369 1.00 1.00 C ATOM 1804 NE2 HIS A 112 -12.559 15.091 -24.229 1.00 1.00 N ATOM 1805 OXT HIS A 112 -12.109 19.093 -21.981 1.00 1.00 O ATOM 0 H HIS A 112 -9.191 17.224 -19.556 1.00 1.00 H new ATOM 0 HA HIS A 112 -9.991 17.875 -22.179 1.00 1.00 H new ATOM 0 HB2 HIS A 112 -9.811 15.565 -21.179 1.00 1.00 H new ATOM 0 HB3 HIS A 112 -11.214 15.905 -20.187 1.00 1.00 H new ATOM 0 HD2 HIS A 112 -10.378 15.121 -23.944 1.00 1.00 H new ATOM 0 HE1 HIS A 112 -14.577 15.386 -23.591 1.00 1.00 H new ATOM 0 HE2 HIS A 112 -12.674 14.752 -25.184 1.00 1.00 H new TER 1814 HIS A 112