USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 792 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 58 LYS NZ :NH3+ 173:sc= 0 (180deg=0) USER MOD Set 1.2: A 94 HIS : no HD1:sc= -3.25 X(o=-3.2,f=-3.3!) USER MOD Set 2.1: A 34 HIS : no HD1:sc= -0.21 X(o=-0.21,f=0.15) USER MOD Set 2.2: A 38 THR OG1 : rot -170:sc= 0 USER MOD Set 3.1: A 1 MET N :NH3+ -133:sc= 0.107 (180deg=-0.291) USER MOD Set 3.2: A 8 TYR OH : rot -107:sc= 1.05 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -2.1 K(o=-2.1,f=-8.2!) USER MOD Single : A 4 LYS NZ :NH3+ -165:sc= 0.36! (180deg=-0.0797!) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -57:sc= 0.666 USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0009) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 CYS SG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc=-0.00309 X(o=-0.0031,f=-0.12) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0209 USER MOD Single : A 25 THR OG1 : rot 40:sc= 0.0774 USER MOD Single : A 32 THR OG1 : rot 92:sc= 0.054 USER MOD Single : A 35 ASN : amide:sc= -0.0642 X(o=-0.064,f=-0.31) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 HIS : no HD1:sc= -17.5! C(o=-17!,f=-21!) USER MOD Single : A 56 THR OG1 : rot 46:sc= 0.167 USER MOD Single : A 61 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 THR OG1 : rot 180:sc= -0.0176! USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.252 X(o=-0.25,f=-0.15) USER MOD Single : A 80 LYS NZ :NH3+ -150:sc= 1.29 (180deg=-0.457) USER MOD Single : A 82 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.178) USER MOD Single : A 86 THR OG1 : rot -88:sc= -1.64! USER MOD Single : A 88 HIS : no HE2:sc= 0.0258 K(o=0.026,f=-1.9) USER MOD Single : A 91 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.12) USER MOD Single : A 92 HIS : no HD1:sc= -0.444 X(o=-0.44,f=-0.18) USER MOD Single : A 93 HIS : no HD1:sc= -0.467 X(o=-0.47,f=-0.19) USER MOD Single : A 95 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 96 HIS : no HD1:sc= 0 X(o=0,f=-0.002) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.622 -13.193 -1.886 1.00 0.00 N ATOM 2 CA MET A 1 -2.417 -12.290 -0.768 1.00 0.00 C ATOM 3 C MET A 1 -0.926 -12.031 -0.537 1.00 0.00 C ATOM 4 O MET A 1 -0.087 -12.502 -1.302 1.00 0.00 O ATOM 5 CB MET A 1 -3.033 -12.894 0.496 1.00 0.00 C ATOM 6 CG MET A 1 -4.561 -12.816 0.453 1.00 0.00 C ATOM 7 SD MET A 1 -5.262 -13.945 1.645 1.00 0.00 S ATOM 8 CE MET A 1 -6.876 -13.211 1.854 1.00 0.00 C ATOM 0 H1 MET A 1 -3.360 -12.810 -2.510 1.00 0.00 H new ATOM 0 H2 MET A 1 -1.735 -13.292 -2.419 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.918 -14.124 -1.530 1.00 0.00 H new ATOM 0 HA MET A 1 -2.899 -11.340 -1.000 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.721 -13.934 0.596 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.663 -12.365 1.374 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.888 -11.798 0.667 1.00 0.00 H new ATOM 0 HG3 MET A 1 -4.918 -13.062 -0.547 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.451 -13.795 2.572 1.00 0.00 H new ATOM 0 HE2 MET A 1 -6.767 -12.191 2.221 1.00 0.00 H new ATOM 0 HE3 MET A 1 -7.397 -13.198 0.896 1.00 0.00 H new ATOM 18 N GLU A 2 -0.645 -11.287 0.521 1.00 0.00 N ATOM 19 CA GLU A 2 0.730 -10.960 0.863 1.00 0.00 C ATOM 20 C GLU A 2 1.539 -12.240 1.085 1.00 0.00 C ATOM 21 O GLU A 2 1.071 -13.336 0.779 1.00 0.00 O ATOM 22 CB GLU A 2 0.789 -10.054 2.093 1.00 0.00 C ATOM 23 CG GLU A 2 -0.070 -8.803 1.895 1.00 0.00 C ATOM 24 CD GLU A 2 -1.417 -8.945 2.606 1.00 0.00 C ATOM 25 OE1 GLU A 2 -2.261 -9.700 2.076 1.00 0.00 O ATOM 26 OE2 GLU A 2 -1.573 -8.295 3.662 1.00 0.00 O ATOM 0 H GLU A 2 -1.345 -10.900 1.154 1.00 0.00 H new ATOM 0 HA GLU A 2 1.171 -10.413 0.030 1.00 0.00 H new ATOM 0 HB2 GLU A 2 0.443 -10.602 2.969 1.00 0.00 H new ATOM 0 HB3 GLU A 2 1.822 -9.763 2.286 1.00 0.00 H new ATOM 0 HG2 GLU A 2 0.458 -7.930 2.279 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -0.233 -8.634 0.831 1.00 0.00 H new ATOM 33 N ASN A 3 2.739 -12.059 1.615 1.00 0.00 N ATOM 34 CA ASN A 3 3.619 -13.184 1.882 1.00 0.00 C ATOM 35 C ASN A 3 4.060 -13.807 0.555 1.00 0.00 C ATOM 36 O ASN A 3 3.344 -13.724 -0.443 1.00 0.00 O ATOM 37 CB ASN A 3 2.899 -14.264 2.694 1.00 0.00 C ATOM 38 CG ASN A 3 2.231 -13.663 3.932 1.00 0.00 C ATOM 39 OD1 ASN A 3 1.932 -12.483 3.997 1.00 0.00 O ATOM 40 ND2 ASN A 3 2.015 -14.540 4.909 1.00 0.00 N ATOM 0 H ASN A 3 3.123 -11.149 1.867 1.00 0.00 H new ATOM 0 HA ASN A 3 4.475 -12.816 2.447 1.00 0.00 H new ATOM 0 HB2 ASN A 3 2.149 -14.752 2.072 1.00 0.00 H new ATOM 0 HB3 ASN A 3 3.611 -15.032 2.997 1.00 0.00 H new ATOM 0 HD21 ASN A 3 1.574 -14.237 5.778 1.00 0.00 H new ATOM 0 HD22 ASN A 3 2.290 -15.515 4.789 1.00 0.00 H new ATOM 47 N LYS A 4 5.236 -14.417 0.587 1.00 0.00 N ATOM 48 CA LYS A 4 5.779 -15.054 -0.601 1.00 0.00 C ATOM 49 C LYS A 4 6.525 -14.012 -1.436 1.00 0.00 C ATOM 50 O LYS A 4 6.569 -12.836 -1.074 1.00 0.00 O ATOM 51 CB LYS A 4 4.678 -15.783 -1.370 1.00 0.00 C ATOM 52 CG LYS A 4 5.264 -16.888 -2.253 1.00 0.00 C ATOM 53 CD LYS A 4 5.136 -16.531 -3.735 1.00 0.00 C ATOM 54 CE LYS A 4 3.703 -16.746 -4.228 1.00 0.00 C ATOM 55 NZ LYS A 4 3.707 -17.318 -5.594 1.00 0.00 N ATOM 0 H LYS A 4 5.827 -14.484 1.416 1.00 0.00 H new ATOM 0 HA LYS A 4 6.503 -15.821 -0.325 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.964 -16.214 -0.668 1.00 0.00 H new ATOM 0 HB3 LYS A 4 4.129 -15.072 -1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 4 6.313 -17.041 -2.001 1.00 0.00 H new ATOM 0 HG3 LYS A 4 4.748 -17.828 -2.056 1.00 0.00 H new ATOM 0 HD2 LYS A 4 5.425 -15.491 -3.889 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.822 -17.143 -4.321 1.00 0.00 H new ATOM 0 HE2 LYS A 4 3.174 -17.415 -3.549 1.00 0.00 H new ATOM 0 HE3 LYS A 4 3.165 -15.798 -4.225 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 2.760 -17.224 -6.013 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 4.397 -16.809 -6.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 3.967 -18.324 -5.548 1.00 0.00 H new ATOM 69 N LYS A 5 7.094 -14.478 -2.537 1.00 0.00 N ATOM 70 CA LYS A 5 7.837 -13.601 -3.427 1.00 0.00 C ATOM 71 C LYS A 5 6.968 -12.394 -3.786 1.00 0.00 C ATOM 72 O LYS A 5 5.852 -12.259 -3.289 1.00 0.00 O ATOM 73 CB LYS A 5 8.345 -14.377 -4.643 1.00 0.00 C ATOM 74 CG LYS A 5 9.639 -15.125 -4.314 1.00 0.00 C ATOM 75 CD LYS A 5 10.408 -15.477 -5.590 1.00 0.00 C ATOM 76 CE LYS A 5 10.812 -16.953 -5.595 1.00 0.00 C ATOM 77 NZ LYS A 5 10.990 -17.436 -6.983 1.00 0.00 N ATOM 0 H LYS A 5 7.056 -15.453 -2.834 1.00 0.00 H new ATOM 0 HA LYS A 5 8.728 -13.217 -2.929 1.00 0.00 H new ATOM 0 HB2 LYS A 5 7.584 -15.086 -4.971 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.518 -13.690 -5.471 1.00 0.00 H new ATOM 0 HG2 LYS A 5 10.264 -14.510 -3.666 1.00 0.00 H new ATOM 0 HG3 LYS A 5 9.407 -16.036 -3.762 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.791 -15.262 -6.462 1.00 0.00 H new ATOM 0 HD3 LYS A 5 11.298 -14.852 -5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 5 11.738 -17.085 -5.036 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.049 -17.547 -5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 11.264 -18.439 -6.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 10.097 -17.328 -7.505 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 11.734 -16.880 -7.451 1.00 0.00 H new ATOM 91 N SER A 6 7.513 -11.549 -4.648 1.00 0.00 N ATOM 92 CA SER A 6 6.803 -10.358 -5.081 1.00 0.00 C ATOM 93 C SER A 6 6.632 -9.394 -3.904 1.00 0.00 C ATOM 94 O SER A 6 6.329 -9.818 -2.789 1.00 0.00 O ATOM 95 CB SER A 6 5.439 -10.716 -5.676 1.00 0.00 C ATOM 96 OG SER A 6 4.445 -10.879 -4.669 1.00 0.00 O ATOM 0 H SER A 6 8.439 -11.666 -5.059 1.00 0.00 H new ATOM 0 HA SER A 6 7.392 -9.872 -5.858 1.00 0.00 H new ATOM 0 HB2 SER A 6 5.129 -9.934 -6.369 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.525 -11.637 -6.253 1.00 0.00 H new ATOM 0 HG SER A 6 4.735 -11.564 -4.031 1.00 0.00 H new ATOM 102 N HIS A 7 6.834 -8.116 -4.192 1.00 0.00 N ATOM 103 CA HIS A 7 6.707 -7.089 -3.172 1.00 0.00 C ATOM 104 C HIS A 7 5.237 -6.682 -3.034 1.00 0.00 C ATOM 105 O HIS A 7 4.596 -6.316 -4.020 1.00 0.00 O ATOM 106 CB HIS A 7 7.624 -5.904 -3.476 1.00 0.00 C ATOM 107 CG HIS A 7 9.082 -6.274 -3.602 1.00 0.00 C ATOM 108 ND1 HIS A 7 9.808 -6.080 -4.764 1.00 0.00 N ATOM 109 CD2 HIS A 7 9.943 -6.826 -2.699 1.00 0.00 C ATOM 110 CE1 HIS A 7 11.047 -6.501 -4.560 1.00 0.00 C ATOM 111 NE2 HIS A 7 11.129 -6.964 -3.278 1.00 0.00 N ATOM 0 H HIS A 7 7.085 -7.769 -5.118 1.00 0.00 H new ATOM 0 HA HIS A 7 7.031 -7.485 -2.210 1.00 0.00 H new ATOM 0 HB2 HIS A 7 7.297 -5.433 -4.403 1.00 0.00 H new ATOM 0 HB3 HIS A 7 7.515 -5.161 -2.686 1.00 0.00 H new ATOM 0 HD2 HIS A 7 9.700 -7.104 -1.684 1.00 0.00 H new ATOM 0 HE1 HIS A 7 11.851 -6.482 -5.281 1.00 0.00 H new ATOM 0 HE2 HIS A 7 11.964 -7.352 -2.838 1.00 0.00 H new ATOM 119 N TYR A 8 4.747 -6.761 -1.808 1.00 0.00 N ATOM 120 CA TYR A 8 3.366 -6.405 -1.529 1.00 0.00 C ATOM 121 C TYR A 8 3.284 -5.088 -0.754 1.00 0.00 C ATOM 122 O TYR A 8 3.962 -4.916 0.258 1.00 0.00 O ATOM 123 CB TYR A 8 2.808 -7.531 -0.656 1.00 0.00 C ATOM 124 CG TYR A 8 2.165 -8.671 -1.448 1.00 0.00 C ATOM 125 CD1 TYR A 8 0.822 -8.619 -1.767 1.00 0.00 C ATOM 126 CD2 TYR A 8 2.927 -9.752 -1.844 1.00 0.00 C ATOM 127 CE1 TYR A 8 0.218 -9.694 -2.512 1.00 0.00 C ATOM 128 CE2 TYR A 8 2.322 -10.826 -2.588 1.00 0.00 C ATOM 129 CZ TYR A 8 0.998 -10.744 -2.885 1.00 0.00 C ATOM 130 OH TYR A 8 0.427 -11.757 -3.589 1.00 0.00 O ATOM 0 H TYR A 8 5.281 -7.067 -0.995 1.00 0.00 H new ATOM 0 HA TYR A 8 2.808 -6.279 -2.457 1.00 0.00 H new ATOM 0 HB2 TYR A 8 3.614 -7.936 -0.045 1.00 0.00 H new ATOM 0 HB3 TYR A 8 2.068 -7.114 0.027 1.00 0.00 H new ATOM 0 HD1 TYR A 8 0.225 -7.773 -1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 8 3.977 -9.792 -1.596 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -0.831 -9.667 -2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 8 2.907 -11.678 -2.903 1.00 0.00 H new ATOM 0 HH TYR A 8 0.331 -12.543 -3.012 1.00 0.00 H new ATOM 140 N PHE A 9 2.449 -4.192 -1.259 1.00 0.00 N ATOM 141 CA PHE A 9 2.271 -2.895 -0.628 1.00 0.00 C ATOM 142 C PHE A 9 0.880 -2.778 -0.001 1.00 0.00 C ATOM 143 O PHE A 9 -0.129 -2.856 -0.701 1.00 0.00 O ATOM 144 CB PHE A 9 2.413 -1.839 -1.726 1.00 0.00 C ATOM 145 CG PHE A 9 2.632 -0.420 -1.200 1.00 0.00 C ATOM 146 CD1 PHE A 9 1.674 0.180 -0.444 1.00 0.00 C ATOM 147 CD2 PHE A 9 3.784 0.242 -1.489 1.00 0.00 C ATOM 148 CE1 PHE A 9 1.878 1.498 0.045 1.00 0.00 C ATOM 149 CE2 PHE A 9 3.988 1.560 -1.000 1.00 0.00 C ATOM 150 CZ PHE A 9 3.031 2.160 -0.243 1.00 0.00 C ATOM 0 H PHE A 9 1.888 -4.338 -2.098 1.00 0.00 H new ATOM 0 HA PHE A 9 3.010 -2.761 0.162 1.00 0.00 H new ATOM 0 HB2 PHE A 9 3.250 -2.110 -2.370 1.00 0.00 H new ATOM 0 HB3 PHE A 9 1.516 -1.851 -2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 9 0.758 -0.345 -0.215 1.00 0.00 H new ATOM 0 HD2 PHE A 9 4.544 -0.234 -2.090 1.00 0.00 H new ATOM 0 HE1 PHE A 9 1.117 1.975 0.646 1.00 0.00 H new ATOM 0 HE2 PHE A 9 4.903 2.085 -1.229 1.00 0.00 H new ATOM 0 HZ PHE A 9 3.186 3.162 0.129 1.00 0.00 H new ATOM 160 N TYR A 10 0.871 -2.592 1.311 1.00 0.00 N ATOM 161 CA TYR A 10 -0.379 -2.464 2.040 1.00 0.00 C ATOM 162 C TYR A 10 -0.521 -1.065 2.643 1.00 0.00 C ATOM 163 O TYR A 10 0.365 -0.603 3.363 1.00 0.00 O ATOM 164 CB TYR A 10 -0.314 -3.490 3.172 1.00 0.00 C ATOM 165 CG TYR A 10 0.832 -3.257 4.158 1.00 0.00 C ATOM 166 CD1 TYR A 10 0.640 -2.448 5.259 1.00 0.00 C ATOM 167 CD2 TYR A 10 2.056 -3.859 3.947 1.00 0.00 C ATOM 168 CE1 TYR A 10 1.720 -2.228 6.187 1.00 0.00 C ATOM 169 CE2 TYR A 10 3.135 -3.640 4.876 1.00 0.00 C ATOM 170 CZ TYR A 10 2.913 -2.835 5.951 1.00 0.00 C ATOM 171 OH TYR A 10 3.933 -2.629 6.828 1.00 0.00 O ATOM 0 H TYR A 10 1.710 -2.527 1.888 1.00 0.00 H new ATOM 0 HA TYR A 10 -1.229 -2.627 1.377 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -1.258 -3.474 3.717 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -0.212 -4.486 2.741 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -0.319 -1.980 5.425 1.00 0.00 H new ATOM 0 HD2 TYR A 10 2.205 -4.494 3.086 1.00 0.00 H new ATOM 0 HE1 TYR A 10 1.585 -1.595 7.051 1.00 0.00 H new ATOM 0 HE2 TYR A 10 4.098 -4.104 4.723 1.00 0.00 H new ATOM 0 HH TYR A 10 4.724 -3.126 6.532 1.00 0.00 H new ATOM 181 N VAL A 11 -1.640 -0.429 2.329 1.00 0.00 N ATOM 182 CA VAL A 11 -1.907 0.908 2.830 1.00 0.00 C ATOM 183 C VAL A 11 -2.979 0.833 3.921 1.00 0.00 C ATOM 184 O VAL A 11 -4.173 0.900 3.628 1.00 0.00 O ATOM 185 CB VAL A 11 -2.294 1.833 1.676 1.00 0.00 C ATOM 186 CG1 VAL A 11 -2.338 3.293 2.133 1.00 0.00 C ATOM 187 CG2 VAL A 11 -1.340 1.658 0.491 1.00 0.00 C ATOM 0 H VAL A 11 -2.372 -0.815 1.733 1.00 0.00 H new ATOM 0 HA VAL A 11 -1.010 1.333 3.281 1.00 0.00 H new ATOM 0 HB VAL A 11 -3.295 1.556 1.346 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -2.616 3.929 1.293 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -3.074 3.403 2.930 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.356 3.588 2.503 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.637 2.327 -0.317 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -0.323 1.896 0.804 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -1.380 0.626 0.141 1.00 0.00 H new ATOM 197 N LEU A 12 -2.516 0.696 5.154 1.00 0.00 N ATOM 198 CA LEU A 12 -3.419 0.612 6.288 1.00 0.00 C ATOM 199 C LEU A 12 -3.614 2.008 6.884 1.00 0.00 C ATOM 200 O LEU A 12 -2.678 2.805 6.927 1.00 0.00 O ATOM 201 CB LEU A 12 -2.917 -0.422 7.297 1.00 0.00 C ATOM 202 CG LEU A 12 -1.855 0.064 8.285 1.00 0.00 C ATOM 203 CD1 LEU A 12 -0.628 0.603 7.550 1.00 0.00 C ATOM 204 CD2 LEU A 12 -2.440 1.092 9.255 1.00 0.00 C ATOM 0 H LEU A 12 -1.526 0.641 5.393 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.400 0.261 5.968 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -3.771 -0.790 7.865 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.511 -1.270 6.746 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.525 -0.788 8.879 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.111 0.942 8.276 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.197 -0.186 6.934 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.922 1.439 6.915 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -1.665 1.422 9.947 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.815 1.949 8.695 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -3.258 0.639 9.815 1.00 0.00 H new ATOM 216 N LEU A 13 -4.835 2.261 7.331 1.00 0.00 N ATOM 217 CA LEU A 13 -5.166 3.545 7.922 1.00 0.00 C ATOM 218 C LEU A 13 -5.365 3.372 9.428 1.00 0.00 C ATOM 219 O LEU A 13 -5.939 2.379 9.873 1.00 0.00 O ATOM 220 CB LEU A 13 -6.367 4.171 7.210 1.00 0.00 C ATOM 221 CG LEU A 13 -7.227 5.117 8.051 1.00 0.00 C ATOM 222 CD1 LEU A 13 -7.830 6.224 7.185 1.00 0.00 C ATOM 223 CD2 LEU A 13 -8.300 4.344 8.821 1.00 0.00 C ATOM 0 H LEU A 13 -5.608 1.597 7.295 1.00 0.00 H new ATOM 0 HA LEU A 13 -4.344 4.249 7.787 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.004 4.719 6.340 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -7.003 3.368 6.838 1.00 0.00 H new ATOM 0 HG LEU A 13 -6.585 5.598 8.789 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -8.437 6.883 7.807 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -7.029 6.799 6.720 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -8.455 5.780 6.410 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -8.897 5.040 9.411 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -8.945 3.818 8.117 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -7.823 3.623 9.485 1.00 0.00 H new ATOM 235 N CYS A 14 -4.880 4.354 10.175 1.00 0.00 N ATOM 236 CA CYS A 14 -4.998 4.322 11.622 1.00 0.00 C ATOM 237 C CYS A 14 -6.273 5.070 12.017 1.00 0.00 C ATOM 238 O CYS A 14 -6.808 5.850 11.231 1.00 0.00 O ATOM 239 CB CYS A 14 -3.760 4.907 12.304 1.00 0.00 C ATOM 240 SG CYS A 14 -2.458 3.628 12.442 1.00 0.00 S ATOM 0 H CYS A 14 -4.404 5.177 9.804 1.00 0.00 H new ATOM 0 HA CYS A 14 -5.064 3.288 11.961 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -3.387 5.757 11.732 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -4.022 5.279 13.294 1.00 0.00 H new ATOM 0 HG CYS A 14 -1.410 4.136 13.020 1.00 0.00 H new ATOM 246 N GLN A 15 -6.724 4.805 13.234 1.00 0.00 N ATOM 247 CA GLN A 15 -7.926 5.443 13.743 1.00 0.00 C ATOM 248 C GLN A 15 -7.930 6.931 13.383 1.00 0.00 C ATOM 249 O GLN A 15 -8.859 7.414 12.736 1.00 0.00 O ATOM 250 CB GLN A 15 -8.055 5.245 15.255 1.00 0.00 C ATOM 251 CG GLN A 15 -9.440 4.708 15.620 1.00 0.00 C ATOM 252 CD GLN A 15 -10.513 5.782 15.428 1.00 0.00 C ATOM 253 OE1 GLN A 15 -10.403 6.898 15.908 1.00 0.00 O ATOM 254 NE2 GLN A 15 -11.552 5.384 14.701 1.00 0.00 N ATOM 0 H GLN A 15 -6.278 4.157 13.883 1.00 0.00 H new ATOM 0 HA GLN A 15 -8.790 4.972 13.273 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -7.289 4.551 15.601 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -7.882 6.192 15.766 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -9.673 3.842 15.001 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -9.441 4.369 16.656 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -11.580 4.435 14.329 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -12.321 6.028 14.515 1.00 0.00 H new ATOM 263 N ASP A 16 -6.882 7.615 13.816 1.00 0.00 N ATOM 264 CA ASP A 16 -6.754 9.037 13.548 1.00 0.00 C ATOM 265 C ASP A 16 -6.946 9.288 12.051 1.00 0.00 C ATOM 266 O ASP A 16 -7.615 10.243 11.659 1.00 0.00 O ATOM 267 CB ASP A 16 -5.366 9.548 13.939 1.00 0.00 C ATOM 268 CG ASP A 16 -5.362 10.781 14.846 1.00 0.00 C ATOM 269 OD1 ASP A 16 -6.190 11.680 14.585 1.00 0.00 O ATOM 270 OD2 ASP A 16 -4.531 10.795 15.780 1.00 0.00 O ATOM 0 H ASP A 16 -6.113 7.211 14.351 1.00 0.00 H new ATOM 0 HA ASP A 16 -7.509 9.561 14.134 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -4.828 8.744 14.441 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -4.812 9.783 13.030 1.00 0.00 H new ATOM 275 N GLY A 17 -6.346 8.415 11.256 1.00 0.00 N ATOM 276 CA GLY A 17 -6.443 8.531 9.810 1.00 0.00 C ATOM 277 C GLY A 17 -5.059 8.697 9.180 1.00 0.00 C ATOM 278 O GLY A 17 -4.879 9.512 8.275 1.00 0.00 O ATOM 0 H GLY A 17 -5.791 7.625 11.585 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -6.928 7.644 9.402 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -7.069 9.385 9.551 1.00 0.00 H new ATOM 282 N SER A 18 -4.118 7.912 9.681 1.00 0.00 N ATOM 283 CA SER A 18 -2.754 7.963 9.179 1.00 0.00 C ATOM 284 C SER A 18 -2.564 6.916 8.078 1.00 0.00 C ATOM 285 O SER A 18 -2.675 5.718 8.331 1.00 0.00 O ATOM 286 CB SER A 18 -1.743 7.740 10.304 1.00 0.00 C ATOM 287 OG SER A 18 -2.260 8.133 11.573 1.00 0.00 O ATOM 0 H SER A 18 -4.272 7.236 10.430 1.00 0.00 H new ATOM 0 HA SER A 18 -2.579 8.955 8.764 1.00 0.00 H new ATOM 0 HB2 SER A 18 -1.464 6.687 10.337 1.00 0.00 H new ATOM 0 HB3 SER A 18 -0.835 8.304 10.092 1.00 0.00 H new ATOM 0 HG SER A 18 -1.585 7.973 12.265 1.00 0.00 H new ATOM 293 N PHE A 19 -2.281 7.408 6.880 1.00 0.00 N ATOM 294 CA PHE A 19 -2.074 6.530 5.742 1.00 0.00 C ATOM 295 C PHE A 19 -0.622 6.051 5.675 1.00 0.00 C ATOM 296 O PHE A 19 0.261 6.794 5.248 1.00 0.00 O ATOM 297 CB PHE A 19 -2.388 7.346 4.486 1.00 0.00 C ATOM 298 CG PHE A 19 -3.851 7.270 4.045 1.00 0.00 C ATOM 299 CD1 PHE A 19 -4.755 8.161 4.532 1.00 0.00 C ATOM 300 CD2 PHE A 19 -4.247 6.312 3.166 1.00 0.00 C ATOM 301 CE1 PHE A 19 -6.113 8.092 4.121 1.00 0.00 C ATOM 302 CE2 PHE A 19 -5.604 6.241 2.755 1.00 0.00 C ATOM 303 CZ PHE A 19 -6.510 7.132 3.242 1.00 0.00 C ATOM 0 H PHE A 19 -2.190 8.403 6.674 1.00 0.00 H new ATOM 0 HA PHE A 19 -2.714 5.652 5.828 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -2.128 8.389 4.668 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -1.755 6.997 3.670 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -4.441 8.921 5.231 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -3.529 5.604 2.780 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -6.830 8.801 4.506 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.917 5.480 2.056 1.00 0.00 H new ATOM 0 HZ PHE A 19 -7.543 7.077 2.931 1.00 0.00 H new ATOM 313 N TYR A 20 -0.419 4.814 6.102 1.00 0.00 N ATOM 314 CA TYR A 20 0.910 4.228 6.097 1.00 0.00 C ATOM 315 C TYR A 20 0.992 3.067 5.106 1.00 0.00 C ATOM 316 O TYR A 20 0.164 2.158 5.139 1.00 0.00 O ATOM 317 CB TYR A 20 1.142 3.692 7.513 1.00 0.00 C ATOM 318 CG TYR A 20 2.617 3.557 7.892 1.00 0.00 C ATOM 319 CD1 TYR A 20 3.323 2.430 7.524 1.00 0.00 C ATOM 320 CD2 TYR A 20 3.241 4.560 8.604 1.00 0.00 C ATOM 321 CE1 TYR A 20 4.712 2.301 7.882 1.00 0.00 C ATOM 322 CE2 TYR A 20 4.630 4.433 8.962 1.00 0.00 C ATOM 323 CZ TYR A 20 5.296 3.310 8.583 1.00 0.00 C ATOM 324 OH TYR A 20 6.609 3.188 8.921 1.00 0.00 O ATOM 0 H TYR A 20 -1.154 4.200 6.454 1.00 0.00 H new ATOM 0 HA TYR A 20 1.654 4.968 5.804 1.00 0.00 H new ATOM 0 HB2 TYR A 20 0.653 4.356 8.226 1.00 0.00 H new ATOM 0 HB3 TYR A 20 0.663 2.717 7.605 1.00 0.00 H new ATOM 0 HD1 TYR A 20 2.834 1.644 6.967 1.00 0.00 H new ATOM 0 HD2 TYR A 20 2.688 5.441 8.893 1.00 0.00 H new ATOM 0 HE1 TYR A 20 5.276 1.424 7.601 1.00 0.00 H new ATOM 0 HE2 TYR A 20 5.131 5.211 9.518 1.00 0.00 H new ATOM 0 HH TYR A 20 6.894 3.983 9.418 1.00 0.00 H new ATOM 334 N GLY A 21 1.999 3.133 4.247 1.00 0.00 N ATOM 335 CA GLY A 21 2.201 2.098 3.247 1.00 0.00 C ATOM 336 C GLY A 21 3.531 1.373 3.468 1.00 0.00 C ATOM 337 O GLY A 21 4.550 2.008 3.734 1.00 0.00 O ATOM 0 H GLY A 21 2.684 3.888 4.223 1.00 0.00 H new ATOM 0 HA2 GLY A 21 1.381 1.381 3.290 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.186 2.541 2.251 1.00 0.00 H new ATOM 341 N GLY A 22 3.477 0.056 3.349 1.00 0.00 N ATOM 342 CA GLY A 22 4.665 -0.761 3.532 1.00 0.00 C ATOM 343 C GLY A 22 4.808 -1.782 2.400 1.00 0.00 C ATOM 344 O GLY A 22 3.902 -2.578 2.160 1.00 0.00 O ATOM 0 H GLY A 22 2.629 -0.467 3.128 1.00 0.00 H new ATOM 0 HA2 GLY A 22 5.548 -0.123 3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 22 4.610 -1.279 4.489 1.00 0.00 H new ATOM 348 N TYR A 23 5.953 -1.725 1.737 1.00 0.00 N ATOM 349 CA TYR A 23 6.227 -2.635 0.637 1.00 0.00 C ATOM 350 C TYR A 23 7.253 -3.694 1.045 1.00 0.00 C ATOM 351 O TYR A 23 8.446 -3.410 1.127 1.00 0.00 O ATOM 352 CB TYR A 23 6.817 -1.776 -0.483 1.00 0.00 C ATOM 353 CG TYR A 23 8.142 -1.103 -0.121 1.00 0.00 C ATOM 354 CD1 TYR A 23 8.143 0.078 0.596 1.00 0.00 C ATOM 355 CD2 TYR A 23 9.336 -1.676 -0.508 1.00 0.00 C ATOM 356 CE1 TYR A 23 9.389 0.711 0.938 1.00 0.00 C ATOM 357 CE2 TYR A 23 10.583 -1.042 -0.165 1.00 0.00 C ATOM 358 CZ TYR A 23 10.548 0.121 0.540 1.00 0.00 C ATOM 359 OH TYR A 23 11.725 0.719 0.863 1.00 0.00 O ATOM 0 H TYR A 23 6.702 -1.063 1.940 1.00 0.00 H new ATOM 0 HA TYR A 23 5.318 -3.154 0.332 1.00 0.00 H new ATOM 0 HB2 TYR A 23 6.967 -2.400 -1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 23 6.094 -1.007 -0.756 1.00 0.00 H new ATOM 0 HD1 TYR A 23 7.208 0.526 0.900 1.00 0.00 H new ATOM 0 HD2 TYR A 23 9.336 -2.600 -1.068 1.00 0.00 H new ATOM 0 HE1 TYR A 23 9.404 1.634 1.498 1.00 0.00 H new ATOM 0 HE2 TYR A 23 11.525 -1.480 -0.461 1.00 0.00 H new ATOM 0 HH TYR A 23 12.469 0.185 0.515 1.00 0.00 H new ATOM 369 N THR A 24 6.749 -4.896 1.290 1.00 0.00 N ATOM 370 CA THR A 24 7.608 -6.000 1.686 1.00 0.00 C ATOM 371 C THR A 24 6.845 -7.324 1.603 1.00 0.00 C ATOM 372 O THR A 24 5.670 -7.347 1.238 1.00 0.00 O ATOM 373 CB THR A 24 8.151 -5.698 3.084 1.00 0.00 C ATOM 374 OG1 THR A 24 9.386 -6.405 3.137 1.00 0.00 O ATOM 375 CG2 THR A 24 7.309 -6.338 4.190 1.00 0.00 C ATOM 0 H THR A 24 5.758 -5.129 1.222 1.00 0.00 H new ATOM 0 HA THR A 24 8.455 -6.106 1.009 1.00 0.00 H new ATOM 0 HB THR A 24 8.188 -4.619 3.233 1.00 0.00 H new ATOM 0 HG1 THR A 24 9.807 -6.263 4.010 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.738 -6.093 5.162 1.00 0.00 H new ATOM 0 HG22 THR A 24 6.289 -5.958 4.137 1.00 0.00 H new ATOM 0 HG23 THR A 24 7.300 -7.420 4.060 1.00 0.00 H new ATOM 383 N THR A 25 7.544 -8.395 1.948 1.00 0.00 N ATOM 384 CA THR A 25 6.948 -9.719 1.918 1.00 0.00 C ATOM 385 C THR A 25 6.619 -10.190 3.335 1.00 0.00 C ATOM 386 O THR A 25 7.430 -10.038 4.248 1.00 0.00 O ATOM 387 CB THR A 25 7.907 -10.653 1.175 1.00 0.00 C ATOM 388 OG1 THR A 25 9.168 -10.420 1.797 1.00 0.00 O ATOM 389 CG2 THR A 25 8.125 -10.233 -0.280 1.00 0.00 C ATOM 0 H THR A 25 8.518 -8.373 2.250 1.00 0.00 H new ATOM 0 HA THR A 25 5.998 -9.712 1.384 1.00 0.00 H new ATOM 0 HB THR A 25 7.518 -11.671 1.203 1.00 0.00 H new ATOM 0 HG1 THR A 25 9.043 -10.322 2.764 1.00 0.00 H new ATOM 0 HG21 THR A 25 8.813 -10.929 -0.760 1.00 0.00 H new ATOM 0 HG22 THR A 25 7.172 -10.242 -0.808 1.00 0.00 H new ATOM 0 HG23 THR A 25 8.546 -9.228 -0.309 1.00 0.00 H new ATOM 397 N GLU A 26 5.427 -10.751 3.478 1.00 0.00 N ATOM 398 CA GLU A 26 4.980 -11.244 4.769 1.00 0.00 C ATOM 399 C GLU A 26 4.970 -10.110 5.795 1.00 0.00 C ATOM 400 O GLU A 26 5.714 -10.145 6.775 1.00 0.00 O ATOM 401 CB GLU A 26 5.856 -12.404 5.246 1.00 0.00 C ATOM 402 CG GLU A 26 5.907 -13.519 4.198 1.00 0.00 C ATOM 403 CD GLU A 26 6.829 -14.655 4.649 1.00 0.00 C ATOM 404 OE1 GLU A 26 6.320 -15.551 5.354 1.00 0.00 O ATOM 405 OE2 GLU A 26 8.021 -14.600 4.278 1.00 0.00 O ATOM 0 H GLU A 26 4.756 -10.875 2.719 1.00 0.00 H new ATOM 0 HA GLU A 26 3.963 -11.620 4.660 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.865 -12.044 5.448 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.464 -12.799 6.184 1.00 0.00 H new ATOM 0 HG2 GLU A 26 4.903 -13.907 4.026 1.00 0.00 H new ATOM 0 HG3 GLU A 26 6.259 -13.115 3.249 1.00 0.00 H new ATOM 412 N PRO A 27 4.094 -9.103 5.529 1.00 0.00 N ATOM 413 CA PRO A 27 3.976 -7.960 6.418 1.00 0.00 C ATOM 414 C PRO A 27 3.215 -8.332 7.692 1.00 0.00 C ATOM 415 O PRO A 27 3.454 -7.757 8.754 1.00 0.00 O ATOM 416 CB PRO A 27 3.272 -6.893 5.596 1.00 0.00 C ATOM 417 CG PRO A 27 2.609 -7.627 4.441 1.00 0.00 C ATOM 418 CD PRO A 27 3.197 -9.027 4.380 1.00 0.00 C ATOM 0 HA PRO A 27 4.943 -7.600 6.770 1.00 0.00 H new ATOM 0 HB2 PRO A 27 2.534 -6.361 6.196 1.00 0.00 H new ATOM 0 HB3 PRO A 27 3.981 -6.150 5.231 1.00 0.00 H new ATOM 0 HG2 PRO A 27 1.530 -7.672 4.587 1.00 0.00 H new ATOM 0 HG3 PRO A 27 2.782 -7.099 3.503 1.00 0.00 H new ATOM 0 HD2 PRO A 27 2.417 -9.787 4.436 1.00 0.00 H new ATOM 0 HD3 PRO A 27 3.735 -9.190 3.446 1.00 0.00 H new ATOM 426 N GLU A 28 2.313 -9.291 7.545 1.00 0.00 N ATOM 427 CA GLU A 28 1.514 -9.746 8.670 1.00 0.00 C ATOM 428 C GLU A 28 2.404 -9.976 9.894 1.00 0.00 C ATOM 429 O GLU A 28 2.104 -9.491 10.984 1.00 0.00 O ATOM 430 CB GLU A 28 0.736 -11.014 8.314 1.00 0.00 C ATOM 431 CG GLU A 28 -0.230 -10.756 7.155 1.00 0.00 C ATOM 432 CD GLU A 28 -1.627 -10.405 7.672 1.00 0.00 C ATOM 433 OE1 GLU A 28 -1.822 -9.220 8.014 1.00 0.00 O ATOM 434 OE2 GLU A 28 -2.466 -11.330 7.713 1.00 0.00 O ATOM 0 H GLU A 28 2.118 -9.766 6.664 1.00 0.00 H new ATOM 0 HA GLU A 28 0.788 -8.970 8.912 1.00 0.00 H new ATOM 0 HB2 GLU A 28 1.432 -11.808 8.043 1.00 0.00 H new ATOM 0 HB3 GLU A 28 0.180 -11.361 9.185 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.148 -9.942 6.537 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -0.285 -11.640 6.519 1.00 0.00 H new ATOM 441 N ARG A 29 3.480 -10.715 9.672 1.00 0.00 N ATOM 442 CA ARG A 29 4.417 -11.014 10.743 1.00 0.00 C ATOM 443 C ARG A 29 5.261 -9.782 11.070 1.00 0.00 C ATOM 444 O ARG A 29 5.359 -9.382 12.229 1.00 0.00 O ATOM 445 CB ARG A 29 5.341 -12.171 10.358 1.00 0.00 C ATOM 446 CG ARG A 29 4.614 -13.513 10.460 1.00 0.00 C ATOM 447 CD ARG A 29 5.249 -14.552 9.533 1.00 0.00 C ATOM 448 NE ARG A 29 5.023 -15.912 10.069 1.00 0.00 N ATOM 449 CZ ARG A 29 5.606 -17.017 9.583 1.00 0.00 C ATOM 450 NH1 ARG A 29 6.450 -16.928 8.547 1.00 0.00 N ATOM 451 NH2 ARG A 29 5.343 -18.210 10.133 1.00 0.00 N ATOM 0 H ARG A 29 3.725 -11.116 8.767 1.00 0.00 H new ATOM 0 HA ARG A 29 3.838 -11.303 11.620 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.705 -12.027 9.341 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.214 -12.176 11.011 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.646 -13.871 11.489 1.00 0.00 H new ATOM 0 HG3 ARG A 29 3.563 -13.382 10.200 1.00 0.00 H new ATOM 0 HD2 ARG A 29 4.821 -14.470 8.534 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.318 -14.362 9.438 1.00 0.00 H new ATOM 0 HE ARG A 29 4.384 -16.015 10.857 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.649 -16.020 8.128 1.00 0.00 H new ATOM 0 HH12 ARG A 29 6.894 -17.769 8.177 1.00 0.00 H new ATOM 0 HH21 ARG A 29 4.699 -18.277 10.921 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.786 -19.051 9.763 1.00 0.00 H new ATOM 465 N ARG A 30 5.849 -9.212 10.028 1.00 0.00 N ATOM 466 CA ARG A 30 6.683 -8.033 10.190 1.00 0.00 C ATOM 467 C ARG A 30 5.960 -6.986 11.040 1.00 0.00 C ATOM 468 O ARG A 30 6.544 -6.415 11.959 1.00 0.00 O ATOM 469 CB ARG A 30 7.042 -7.422 8.835 1.00 0.00 C ATOM 470 CG ARG A 30 8.010 -6.249 9.000 1.00 0.00 C ATOM 471 CD ARG A 30 7.945 -5.308 7.796 1.00 0.00 C ATOM 472 NE ARG A 30 8.436 -3.965 8.174 1.00 0.00 N ATOM 473 CZ ARG A 30 9.727 -3.668 8.384 1.00 0.00 C ATOM 474 NH1 ARG A 30 10.663 -4.620 8.254 1.00 0.00 N ATOM 475 NH2 ARG A 30 10.081 -2.423 8.725 1.00 0.00 N ATOM 0 H ARG A 30 5.764 -9.545 9.068 1.00 0.00 H new ATOM 0 HA ARG A 30 7.601 -8.341 10.690 1.00 0.00 H new ATOM 0 HB2 ARG A 30 7.493 -8.183 8.197 1.00 0.00 H new ATOM 0 HB3 ARG A 30 6.136 -7.082 8.334 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.768 -5.699 9.909 1.00 0.00 H new ATOM 0 HG3 ARG A 30 9.026 -6.626 9.117 1.00 0.00 H new ATOM 0 HD2 ARG A 30 8.547 -5.707 6.980 1.00 0.00 H new ATOM 0 HD3 ARG A 30 6.920 -5.240 7.433 1.00 0.00 H new ATOM 0 HE ARG A 30 7.750 -3.218 8.282 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.393 -5.569 7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 30 11.645 -4.395 8.414 1.00 0.00 H new ATOM 0 HH21 ARG A 30 9.369 -1.700 8.825 1.00 0.00 H new ATOM 0 HH22 ARG A 30 11.063 -2.198 8.885 1.00 0.00 H new ATOM 489 N LEU A 31 4.698 -6.763 10.700 1.00 0.00 N ATOM 490 CA LEU A 31 3.888 -5.794 11.420 1.00 0.00 C ATOM 491 C LEU A 31 3.809 -6.197 12.894 1.00 0.00 C ATOM 492 O LEU A 31 4.230 -5.443 13.770 1.00 0.00 O ATOM 493 CB LEU A 31 2.522 -5.635 10.751 1.00 0.00 C ATOM 494 CG LEU A 31 1.866 -4.259 10.883 1.00 0.00 C ATOM 495 CD1 LEU A 31 1.180 -3.851 9.578 1.00 0.00 C ATOM 496 CD2 LEU A 31 0.906 -4.221 12.072 1.00 0.00 C ATOM 0 H LEU A 31 4.217 -7.237 9.936 1.00 0.00 H new ATOM 0 HA LEU A 31 4.351 -4.808 11.383 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.630 -5.864 9.691 1.00 0.00 H new ATOM 0 HB3 LEU A 31 1.845 -6.380 11.170 1.00 0.00 H new ATOM 0 HG LEU A 31 2.648 -3.525 11.078 1.00 0.00 H new ATOM 0 HD11 LEU A 31 0.722 -2.869 9.699 1.00 0.00 H new ATOM 0 HD12 LEU A 31 1.918 -3.811 8.776 1.00 0.00 H new ATOM 0 HD13 LEU A 31 0.411 -4.582 9.327 1.00 0.00 H new ATOM 0 HD21 LEU A 31 0.454 -3.232 12.143 1.00 0.00 H new ATOM 0 HD22 LEU A 31 0.125 -4.968 11.933 1.00 0.00 H new ATOM 0 HD23 LEU A 31 1.454 -4.436 12.989 1.00 0.00 H new ATOM 508 N THR A 32 3.267 -7.384 13.120 1.00 0.00 N ATOM 509 CA THR A 32 3.126 -7.896 14.474 1.00 0.00 C ATOM 510 C THR A 32 4.410 -7.654 15.271 1.00 0.00 C ATOM 511 O THR A 32 4.374 -7.047 16.341 1.00 0.00 O ATOM 512 CB THR A 32 2.738 -9.374 14.383 1.00 0.00 C ATOM 513 OG1 THR A 32 1.352 -9.347 14.054 1.00 0.00 O ATOM 514 CG2 THR A 32 2.787 -10.076 15.741 1.00 0.00 C ATOM 0 H THR A 32 2.920 -8.006 12.390 1.00 0.00 H new ATOM 0 HA THR A 32 2.339 -7.371 15.016 1.00 0.00 H new ATOM 0 HB THR A 32 3.405 -9.884 13.688 1.00 0.00 H new ATOM 0 HG1 THR A 32 1.247 -9.365 13.080 1.00 0.00 H new ATOM 0 HG21 THR A 32 2.503 -11.121 15.621 1.00 0.00 H new ATOM 0 HG22 THR A 32 3.798 -10.019 16.144 1.00 0.00 H new ATOM 0 HG23 THR A 32 2.095 -9.589 16.428 1.00 0.00 H new ATOM 522 N GLU A 33 5.512 -8.140 14.720 1.00 0.00 N ATOM 523 CA GLU A 33 6.804 -7.984 15.367 1.00 0.00 C ATOM 524 C GLU A 33 6.944 -6.572 15.939 1.00 0.00 C ATOM 525 O GLU A 33 7.156 -6.403 17.138 1.00 0.00 O ATOM 526 CB GLU A 33 7.944 -8.299 14.397 1.00 0.00 C ATOM 527 CG GLU A 33 8.148 -9.809 14.261 1.00 0.00 C ATOM 528 CD GLU A 33 9.477 -10.239 14.888 1.00 0.00 C ATOM 529 OE1 GLU A 33 9.567 -10.173 16.132 1.00 0.00 O ATOM 530 OE2 GLU A 33 10.373 -10.626 14.106 1.00 0.00 O ATOM 0 H GLU A 33 5.537 -8.642 13.833 1.00 0.00 H new ATOM 0 HA GLU A 33 6.865 -8.696 16.190 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.724 -7.869 13.420 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.865 -7.835 14.750 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.326 -10.336 14.745 1.00 0.00 H new ATOM 0 HG3 GLU A 33 8.131 -10.089 13.208 1.00 0.00 H new ATOM 537 N HIS A 34 6.820 -5.594 15.053 1.00 0.00 N ATOM 538 CA HIS A 34 6.930 -4.202 15.454 1.00 0.00 C ATOM 539 C HIS A 34 6.072 -3.957 16.695 1.00 0.00 C ATOM 540 O HIS A 34 6.582 -3.549 17.738 1.00 0.00 O ATOM 541 CB HIS A 34 6.574 -3.272 14.293 1.00 0.00 C ATOM 542 CG HIS A 34 5.929 -1.975 14.721 1.00 0.00 C ATOM 543 ND1 HIS A 34 4.678 -1.578 14.280 1.00 0.00 N ATOM 544 CD2 HIS A 34 6.373 -0.991 15.554 1.00 0.00 C ATOM 545 CE1 HIS A 34 4.394 -0.406 14.829 1.00 0.00 C ATOM 546 NE2 HIS A 34 5.446 -0.044 15.618 1.00 0.00 N ATOM 0 H HIS A 34 6.644 -5.739 14.059 1.00 0.00 H new ATOM 0 HA HIS A 34 7.963 -3.977 15.719 1.00 0.00 H new ATOM 0 HB2 HIS A 34 7.480 -3.047 13.730 1.00 0.00 H new ATOM 0 HB3 HIS A 34 5.899 -3.795 13.615 1.00 0.00 H new ATOM 0 HD2 HIS A 34 7.320 -0.984 16.074 1.00 0.00 H new ATOM 0 HE1 HIS A 34 3.488 0.163 14.678 1.00 0.00 H new ATOM 0 HE2 HIS A 34 5.510 0.813 16.167 1.00 0.00 H new ATOM 554 N ASN A 35 4.780 -4.216 16.544 1.00 0.00 N ATOM 555 CA ASN A 35 3.845 -4.027 17.641 1.00 0.00 C ATOM 556 C ASN A 35 4.477 -4.539 18.937 1.00 0.00 C ATOM 557 O ASN A 35 4.659 -3.779 19.885 1.00 0.00 O ATOM 558 CB ASN A 35 2.553 -4.811 17.402 1.00 0.00 C ATOM 559 CG ASN A 35 1.363 -3.865 17.225 1.00 0.00 C ATOM 560 OD1 ASN A 35 1.206 -2.884 17.932 1.00 0.00 O ATOM 561 ND2 ASN A 35 0.537 -4.214 16.242 1.00 0.00 N ATOM 0 H ASN A 35 4.359 -4.555 15.679 1.00 0.00 H new ATOM 0 HA ASN A 35 3.615 -2.964 17.710 1.00 0.00 H new ATOM 0 HB2 ASN A 35 2.661 -5.435 16.515 1.00 0.00 H new ATOM 0 HB3 ASN A 35 2.369 -5.480 18.242 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -0.287 -3.647 16.043 1.00 0.00 H new ATOM 0 HD22 ASN A 35 0.728 -5.049 15.688 1.00 0.00 H new ATOM 568 N SER A 36 4.792 -5.826 18.936 1.00 0.00 N ATOM 569 CA SER A 36 5.399 -6.448 20.100 1.00 0.00 C ATOM 570 C SER A 36 6.520 -5.561 20.644 1.00 0.00 C ATOM 571 O SER A 36 6.494 -5.165 21.809 1.00 0.00 O ATOM 572 CB SER A 36 5.940 -7.839 19.762 1.00 0.00 C ATOM 573 OG SER A 36 6.904 -8.283 20.713 1.00 0.00 O ATOM 0 H SER A 36 4.638 -6.455 18.148 1.00 0.00 H new ATOM 0 HA SER A 36 4.631 -6.562 20.865 1.00 0.00 H new ATOM 0 HB2 SER A 36 5.114 -8.550 19.724 1.00 0.00 H new ATOM 0 HB3 SER A 36 6.391 -7.821 18.770 1.00 0.00 H new ATOM 0 HG SER A 36 7.224 -9.175 20.463 1.00 0.00 H new ATOM 579 N GLY A 37 7.478 -5.275 19.774 1.00 0.00 N ATOM 580 CA GLY A 37 8.608 -4.442 20.152 1.00 0.00 C ATOM 581 C GLY A 37 8.142 -3.042 20.562 1.00 0.00 C ATOM 582 O GLY A 37 7.133 -2.895 21.248 1.00 0.00 O ATOM 0 H GLY A 37 7.495 -5.605 18.809 1.00 0.00 H new ATOM 0 HA2 GLY A 37 9.147 -4.906 20.978 1.00 0.00 H new ATOM 0 HA3 GLY A 37 9.305 -4.368 19.318 1.00 0.00 H new ATOM 586 N THR A 38 8.902 -2.050 20.122 1.00 0.00 N ATOM 587 CA THR A 38 8.581 -0.667 20.433 1.00 0.00 C ATOM 588 C THR A 38 8.592 -0.444 21.947 1.00 0.00 C ATOM 589 O THR A 38 7.620 -0.760 22.631 1.00 0.00 O ATOM 590 CB THR A 38 7.237 -0.334 19.780 1.00 0.00 C ATOM 591 OG1 THR A 38 7.558 -0.142 18.406 1.00 0.00 O ATOM 592 CG2 THR A 38 6.687 1.020 20.229 1.00 0.00 C ATOM 0 H THR A 38 9.739 -2.176 19.553 1.00 0.00 H new ATOM 0 HA THR A 38 9.332 0.013 20.030 1.00 0.00 H new ATOM 0 HB THR A 38 6.514 -1.114 20.018 1.00 0.00 H new ATOM 0 HG1 THR A 38 6.782 0.230 17.938 1.00 0.00 H new ATOM 0 HG21 THR A 38 5.733 1.207 19.736 1.00 0.00 H new ATOM 0 HG22 THR A 38 6.542 1.014 21.309 1.00 0.00 H new ATOM 0 HG23 THR A 38 7.393 1.806 19.962 1.00 0.00 H new ATOM 600 N GLY A 39 9.703 0.096 22.425 1.00 0.00 N ATOM 601 CA GLY A 39 9.854 0.364 23.845 1.00 0.00 C ATOM 602 C GLY A 39 9.439 1.798 24.179 1.00 0.00 C ATOM 603 O GLY A 39 10.286 2.681 24.303 1.00 0.00 O ATOM 0 H GLY A 39 10.508 0.355 21.854 1.00 0.00 H new ATOM 0 HA2 GLY A 39 9.247 -0.337 24.418 1.00 0.00 H new ATOM 0 HA3 GLY A 39 10.891 0.203 24.141 1.00 0.00 H new ATOM 607 N ALA A 40 8.135 1.987 24.317 1.00 0.00 N ATOM 608 CA ALA A 40 7.597 3.298 24.635 1.00 0.00 C ATOM 609 C ALA A 40 6.585 3.168 25.775 1.00 0.00 C ATOM 610 O ALA A 40 6.757 3.769 26.834 1.00 0.00 O ATOM 611 CB ALA A 40 6.983 3.916 23.377 1.00 0.00 C ATOM 0 H ALA A 40 7.435 1.253 24.214 1.00 0.00 H new ATOM 0 HA ALA A 40 8.389 3.966 24.974 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.579 4.900 23.615 1.00 0.00 H new ATOM 0 HB2 ALA A 40 7.750 4.015 22.609 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.182 3.274 23.010 1.00 0.00 H new ATOM 617 N LYS A 41 5.553 2.378 25.518 1.00 0.00 N ATOM 618 CA LYS A 41 4.513 2.162 26.510 1.00 0.00 C ATOM 619 C LYS A 41 4.328 0.658 26.728 1.00 0.00 C ATOM 620 O LYS A 41 4.216 -0.103 25.769 1.00 0.00 O ATOM 621 CB LYS A 41 3.228 2.886 26.107 1.00 0.00 C ATOM 622 CG LYS A 41 3.065 4.192 26.889 1.00 0.00 C ATOM 623 CD LYS A 41 1.927 5.037 26.315 1.00 0.00 C ATOM 624 CE LYS A 41 2.300 6.522 26.299 1.00 0.00 C ATOM 625 NZ LYS A 41 1.136 7.343 25.901 1.00 0.00 N ATOM 0 H LYS A 41 5.415 1.880 24.639 1.00 0.00 H new ATOM 0 HA LYS A 41 4.806 2.591 27.468 1.00 0.00 H new ATOM 0 HB2 LYS A 41 3.246 3.098 25.038 1.00 0.00 H new ATOM 0 HB3 LYS A 41 2.370 2.239 26.289 1.00 0.00 H new ATOM 0 HG2 LYS A 41 2.865 3.970 27.937 1.00 0.00 H new ATOM 0 HG3 LYS A 41 3.996 4.758 26.856 1.00 0.00 H new ATOM 0 HD2 LYS A 41 1.698 4.705 25.302 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.025 4.891 26.910 1.00 0.00 H new ATOM 0 HE2 LYS A 41 2.647 6.827 27.286 1.00 0.00 H new ATOM 0 HE3 LYS A 41 3.124 6.689 25.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 1.405 8.347 25.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 0.823 7.063 24.950 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.360 7.197 26.578 1.00 0.00 H new ATOM 639 N TYR A 42 4.302 0.275 27.997 1.00 0.00 N ATOM 640 CA TYR A 42 4.134 -1.123 28.352 1.00 0.00 C ATOM 641 C TYR A 42 2.808 -1.669 27.818 1.00 0.00 C ATOM 642 O TYR A 42 1.749 -1.402 28.384 1.00 0.00 O ATOM 643 CB TYR A 42 4.110 -1.170 29.882 1.00 0.00 C ATOM 644 CG TYR A 42 5.409 -1.677 30.510 1.00 0.00 C ATOM 645 CD1 TYR A 42 5.827 -2.972 30.279 1.00 0.00 C ATOM 646 CD2 TYR A 42 6.165 -0.840 31.306 1.00 0.00 C ATOM 647 CE1 TYR A 42 7.051 -3.449 30.869 1.00 0.00 C ATOM 648 CE2 TYR A 42 7.389 -1.318 31.895 1.00 0.00 C ATOM 649 CZ TYR A 42 7.771 -2.599 31.648 1.00 0.00 C ATOM 650 OH TYR A 42 8.927 -3.051 32.205 1.00 0.00 O ATOM 0 H TYR A 42 4.394 0.909 28.791 1.00 0.00 H new ATOM 0 HA TYR A 42 4.937 -1.725 27.927 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.901 -0.170 30.263 1.00 0.00 H new ATOM 0 HB3 TYR A 42 3.289 -1.811 30.203 1.00 0.00 H new ATOM 0 HD1 TYR A 42 5.236 -3.627 29.656 1.00 0.00 H new ATOM 0 HD2 TYR A 42 5.838 0.173 31.487 1.00 0.00 H new ATOM 0 HE1 TYR A 42 7.389 -4.460 30.696 1.00 0.00 H new ATOM 0 HE2 TYR A 42 7.990 -0.673 32.519 1.00 0.00 H new ATOM 0 HH TYR A 42 9.336 -2.336 32.735 1.00 0.00 H new ATOM 660 N THR A 43 2.910 -2.424 26.734 1.00 0.00 N ATOM 661 CA THR A 43 1.731 -3.009 26.116 1.00 0.00 C ATOM 662 C THR A 43 2.139 -4.041 25.063 1.00 0.00 C ATOM 663 O THR A 43 2.816 -3.707 24.091 1.00 0.00 O ATOM 664 CB THR A 43 0.877 -1.871 25.555 1.00 0.00 C ATOM 665 OG1 THR A 43 -0.302 -2.520 25.086 1.00 0.00 O ATOM 666 CG2 THR A 43 1.485 -1.249 24.296 1.00 0.00 C ATOM 0 H THR A 43 3.790 -2.644 26.268 1.00 0.00 H new ATOM 0 HA THR A 43 1.131 -3.554 26.844 1.00 0.00 H new ATOM 0 HB THR A 43 0.752 -1.101 26.317 1.00 0.00 H new ATOM 0 HG1 THR A 43 -0.913 -1.854 24.707 1.00 0.00 H new ATOM 0 HG21 THR A 43 0.840 -0.447 23.939 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.470 -0.846 24.529 1.00 0.00 H new ATOM 0 HG23 THR A 43 1.579 -2.011 23.522 1.00 0.00 H new ATOM 674 N ARG A 44 1.710 -5.272 25.290 1.00 0.00 N ATOM 675 CA ARG A 44 2.021 -6.355 24.372 1.00 0.00 C ATOM 676 C ARG A 44 0.853 -6.589 23.411 1.00 0.00 C ATOM 677 O ARG A 44 1.034 -6.577 22.194 1.00 0.00 O ATOM 678 CB ARG A 44 2.316 -7.652 25.130 1.00 0.00 C ATOM 679 CG ARG A 44 3.809 -7.772 25.447 1.00 0.00 C ATOM 680 CD ARG A 44 4.061 -7.639 26.949 1.00 0.00 C ATOM 681 NE ARG A 44 5.337 -8.299 27.308 1.00 0.00 N ATOM 682 CZ ARG A 44 5.850 -8.320 28.545 1.00 0.00 C ATOM 683 NH1 ARG A 44 5.198 -7.720 29.552 1.00 0.00 N ATOM 684 NH2 ARG A 44 7.013 -8.943 28.779 1.00 0.00 N ATOM 0 H ARG A 44 1.149 -5.545 26.097 1.00 0.00 H new ATOM 0 HA ARG A 44 2.908 -6.067 23.808 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.741 -7.676 26.055 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.997 -8.507 24.534 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.183 -8.733 25.095 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.362 -7.000 24.912 1.00 0.00 H new ATOM 0 HD2 ARG A 44 4.095 -6.586 27.229 1.00 0.00 H new ATOM 0 HD3 ARG A 44 3.239 -8.090 27.505 1.00 0.00 H new ATOM 0 HE ARG A 44 5.858 -8.767 26.567 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.311 -7.248 29.376 1.00 0.00 H new ATOM 0 HH12 ARG A 44 5.589 -7.736 30.494 1.00 0.00 H new ATOM 0 HH21 ARG A 44 7.509 -9.402 28.015 1.00 0.00 H new ATOM 0 HH22 ARG A 44 7.403 -8.958 29.721 1.00 0.00 H new ATOM 698 N LEU A 45 -0.318 -6.798 23.994 1.00 0.00 N ATOM 699 CA LEU A 45 -1.516 -7.035 23.205 1.00 0.00 C ATOM 700 C LEU A 45 -1.783 -5.817 22.317 1.00 0.00 C ATOM 701 O LEU A 45 -1.746 -5.918 21.092 1.00 0.00 O ATOM 702 CB LEU A 45 -2.690 -7.406 24.112 1.00 0.00 C ATOM 703 CG LEU A 45 -3.002 -8.898 24.230 1.00 0.00 C ATOM 704 CD1 LEU A 45 -2.397 -9.485 25.507 1.00 0.00 C ATOM 705 CD2 LEU A 45 -4.508 -9.154 24.137 1.00 0.00 C ATOM 0 H LEU A 45 -0.463 -6.808 25.004 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.375 -7.889 22.542 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.489 -7.017 25.110 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.581 -6.897 23.745 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.537 -9.412 23.388 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.634 -10.547 25.567 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.315 -9.355 25.490 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.811 -8.972 26.375 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.701 -10.223 24.224 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.017 -8.626 24.943 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.880 -8.795 23.177 1.00 0.00 H new ATOM 717 N ALA A 46 -2.049 -4.695 22.970 1.00 0.00 N ATOM 718 CA ALA A 46 -2.325 -3.461 22.254 1.00 0.00 C ATOM 719 C ALA A 46 -3.503 -3.678 21.305 1.00 0.00 C ATOM 720 O ALA A 46 -3.311 -3.992 20.131 1.00 0.00 O ATOM 721 CB ALA A 46 -1.062 -3.003 21.521 1.00 0.00 C ATOM 0 H ALA A 46 -2.079 -4.615 23.986 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.605 -2.669 22.949 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.269 -2.077 20.984 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -0.264 -2.833 22.243 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.753 -3.772 20.813 1.00 0.00 H new ATOM 727 N LYS A 47 -4.700 -3.501 21.848 1.00 0.00 N ATOM 728 CA LYS A 47 -5.911 -3.675 21.063 1.00 0.00 C ATOM 729 C LYS A 47 -6.450 -2.301 20.657 1.00 0.00 C ATOM 730 O LYS A 47 -7.624 -2.169 20.315 1.00 0.00 O ATOM 731 CB LYS A 47 -6.923 -4.533 21.824 1.00 0.00 C ATOM 732 CG LYS A 47 -7.344 -3.855 23.131 1.00 0.00 C ATOM 733 CD LYS A 47 -6.856 -4.652 24.343 1.00 0.00 C ATOM 734 CE LYS A 47 -7.929 -4.704 25.433 1.00 0.00 C ATOM 735 NZ LYS A 47 -7.481 -3.971 26.638 1.00 0.00 N ATOM 0 H LYS A 47 -4.856 -3.239 22.821 1.00 0.00 H new ATOM 0 HA LYS A 47 -5.696 -4.219 20.143 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.800 -4.706 21.201 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -6.488 -5.509 22.040 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -6.938 -2.844 23.168 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.430 -3.763 23.164 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -6.595 -5.665 24.036 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.949 -4.196 24.741 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -8.856 -4.269 25.060 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -8.144 -5.741 25.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -8.221 -4.017 27.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.608 -4.403 27.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.298 -2.977 26.392 1.00 0.00 H new ATOM 749 N ARG A 48 -5.566 -1.316 20.707 1.00 0.00 N ATOM 750 CA ARG A 48 -5.938 0.042 20.348 1.00 0.00 C ATOM 751 C ARG A 48 -5.318 0.424 19.004 1.00 0.00 C ATOM 752 O ARG A 48 -4.276 -0.107 18.623 1.00 0.00 O ATOM 753 CB ARG A 48 -5.483 1.040 21.415 1.00 0.00 C ATOM 754 CG ARG A 48 -3.958 1.034 21.553 1.00 0.00 C ATOM 755 CD ARG A 48 -3.487 2.179 22.454 1.00 0.00 C ATOM 756 NE ARG A 48 -3.144 1.656 23.796 1.00 0.00 N ATOM 757 CZ ARG A 48 -2.891 2.430 24.860 1.00 0.00 C ATOM 758 NH1 ARG A 48 -2.942 3.764 24.746 1.00 0.00 N ATOM 759 NH2 ARG A 48 -2.590 1.869 26.039 1.00 0.00 N ATOM 0 H ARG A 48 -4.593 -1.431 20.991 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.025 0.079 20.274 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -5.824 2.041 21.152 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -5.940 0.789 22.372 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -3.630 0.081 21.968 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -3.499 1.128 20.569 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -2.619 2.668 22.012 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -4.269 2.933 22.537 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.097 0.644 23.918 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -3.174 4.191 23.849 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.749 4.353 25.556 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.554 0.853 26.126 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -2.397 2.458 26.849 1.00 0.00 H new ATOM 773 N ARG A 49 -5.984 1.344 18.320 1.00 0.00 N ATOM 774 CA ARG A 49 -5.511 1.804 17.025 1.00 0.00 C ATOM 775 C ARG A 49 -5.690 0.707 15.973 1.00 0.00 C ATOM 776 O ARG A 49 -4.765 -0.060 15.708 1.00 0.00 O ATOM 777 CB ARG A 49 -4.035 2.204 17.089 1.00 0.00 C ATOM 778 CG ARG A 49 -3.847 3.671 16.696 1.00 0.00 C ATOM 779 CD ARG A 49 -2.555 4.235 17.292 1.00 0.00 C ATOM 780 NE ARG A 49 -2.831 5.520 17.973 1.00 0.00 N ATOM 781 CZ ARG A 49 -3.086 6.670 17.333 1.00 0.00 C ATOM 782 NH1 ARG A 49 -3.104 6.702 15.994 1.00 0.00 N ATOM 783 NH2 ARG A 49 -3.326 7.786 18.034 1.00 0.00 N ATOM 0 H ARG A 49 -6.848 1.783 18.639 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.101 2.677 16.747 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -3.654 2.042 18.097 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -3.453 1.568 16.422 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -3.820 3.760 15.610 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -4.698 4.257 17.043 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.130 3.523 17.999 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.816 4.382 16.505 1.00 0.00 H new ATOM 0 HE ARG A 49 -2.827 5.531 18.993 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -2.924 5.851 15.461 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -3.298 7.577 15.507 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -3.315 7.760 19.054 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -3.520 8.662 17.548 1.00 0.00 H new ATOM 797 N PRO A 50 -6.917 0.666 15.389 1.00 0.00 N ATOM 798 CA PRO A 50 -7.228 -0.325 14.373 1.00 0.00 C ATOM 799 C PRO A 50 -6.568 0.030 13.040 1.00 0.00 C ATOM 800 O PRO A 50 -6.178 1.176 12.823 1.00 0.00 O ATOM 801 CB PRO A 50 -8.747 -0.346 14.297 1.00 0.00 C ATOM 802 CG PRO A 50 -9.213 0.953 14.932 1.00 0.00 C ATOM 803 CD PRO A 50 -8.036 1.557 15.680 1.00 0.00 C ATOM 0 HA PRO A 50 -6.840 -1.314 14.617 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -9.085 -0.419 13.263 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -9.153 -1.208 14.827 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -9.574 1.642 14.169 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -10.043 0.768 15.613 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -7.831 2.573 15.343 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -8.232 1.610 16.751 1.00 0.00 H new ATOM 811 N VAL A 51 -6.463 -0.974 12.182 1.00 0.00 N ATOM 812 CA VAL A 51 -5.856 -0.782 10.876 1.00 0.00 C ATOM 813 C VAL A 51 -6.799 -1.316 9.797 1.00 0.00 C ATOM 814 O VAL A 51 -7.185 -2.483 9.826 1.00 0.00 O ATOM 815 CB VAL A 51 -4.474 -1.438 10.839 1.00 0.00 C ATOM 816 CG1 VAL A 51 -3.547 -0.822 11.889 1.00 0.00 C ATOM 817 CG2 VAL A 51 -4.582 -2.953 11.025 1.00 0.00 C ATOM 0 H VAL A 51 -6.788 -1.923 12.366 1.00 0.00 H new ATOM 0 HA VAL A 51 -5.703 0.279 10.679 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.040 -1.251 9.857 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -2.571 -1.306 11.842 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -3.433 0.244 11.693 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.975 -0.965 12.881 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -3.586 -3.395 10.995 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -5.046 -3.169 11.987 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.191 -3.375 10.226 1.00 0.00 H new ATOM 827 N ILE A 52 -7.146 -0.434 8.870 1.00 0.00 N ATOM 828 CA ILE A 52 -8.037 -0.801 7.783 1.00 0.00 C ATOM 829 C ILE A 52 -7.271 -0.745 6.459 1.00 0.00 C ATOM 830 O ILE A 52 -6.563 0.224 6.188 1.00 0.00 O ATOM 831 CB ILE A 52 -9.294 0.070 7.803 1.00 0.00 C ATOM 832 CG1 ILE A 52 -9.059 1.390 7.065 1.00 0.00 C ATOM 833 CG2 ILE A 52 -9.783 0.295 9.236 1.00 0.00 C ATOM 834 CD1 ILE A 52 -10.355 2.194 6.955 1.00 0.00 C ATOM 0 H ILE A 52 -6.826 0.534 8.850 1.00 0.00 H new ATOM 0 HA ILE A 52 -8.386 -1.826 7.907 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.084 -0.460 7.272 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -8.306 1.977 7.592 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -8.666 1.189 6.068 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.678 0.917 9.222 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -10.016 -0.665 9.696 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -9.004 0.793 9.812 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -10.160 3.127 6.427 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -11.097 1.614 6.406 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.732 2.414 7.954 1.00 0.00 H new ATOM 846 N MET A 53 -7.439 -1.797 5.670 1.00 0.00 N ATOM 847 CA MET A 53 -6.772 -1.878 4.382 1.00 0.00 C ATOM 848 C MET A 53 -7.728 -1.511 3.245 1.00 0.00 C ATOM 849 O MET A 53 -8.732 -2.187 3.031 1.00 0.00 O ATOM 850 CB MET A 53 -6.248 -3.299 4.169 1.00 0.00 C ATOM 851 CG MET A 53 -4.739 -3.370 4.414 1.00 0.00 C ATOM 852 SD MET A 53 -4.273 -5.029 4.880 1.00 0.00 S ATOM 853 CE MET A 53 -3.403 -4.690 6.402 1.00 0.00 C ATOM 0 H MET A 53 -8.027 -2.599 5.898 1.00 0.00 H new ATOM 0 HA MET A 53 -5.943 -1.170 4.377 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.762 -3.985 4.843 1.00 0.00 H new ATOM 0 HB3 MET A 53 -6.471 -3.624 3.153 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.202 -3.072 3.514 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.457 -2.670 5.200 1.00 0.00 H new ATOM 0 HE1 MET A 53 -3.041 -5.625 6.830 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.557 -4.033 6.199 1.00 0.00 H new ATOM 0 HE3 MET A 53 -4.078 -4.205 7.107 1.00 0.00 H new ATOM 863 N ILE A 54 -7.382 -0.439 2.547 1.00 0.00 N ATOM 864 CA ILE A 54 -8.196 0.027 1.438 1.00 0.00 C ATOM 865 C ILE A 54 -7.398 -0.094 0.138 1.00 0.00 C ATOM 866 O ILE A 54 -7.843 0.365 -0.913 1.00 0.00 O ATOM 867 CB ILE A 54 -8.716 1.439 1.711 1.00 0.00 C ATOM 868 CG1 ILE A 54 -7.682 2.492 1.306 1.00 0.00 C ATOM 869 CG2 ILE A 54 -9.149 1.591 3.172 1.00 0.00 C ATOM 870 CD1 ILE A 54 -6.430 2.395 2.181 1.00 0.00 C ATOM 0 H ILE A 54 -6.548 0.120 2.728 1.00 0.00 H new ATOM 0 HA ILE A 54 -9.082 -0.598 1.328 1.00 0.00 H new ATOM 0 HB ILE A 54 -9.600 1.603 1.095 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -7.410 2.356 0.259 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -8.117 3.487 1.396 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -9.515 2.604 3.340 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -9.943 0.878 3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -8.298 1.400 3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -5.711 3.154 1.873 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -6.702 2.555 3.224 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -5.984 1.407 2.070 1.00 0.00 H new ATOM 882 N HIS A 55 -6.232 -0.713 0.253 1.00 0.00 N ATOM 883 CA HIS A 55 -5.367 -0.899 -0.900 1.00 0.00 C ATOM 884 C HIS A 55 -4.665 -2.254 -0.801 1.00 0.00 C ATOM 885 O HIS A 55 -4.418 -2.751 0.298 1.00 0.00 O ATOM 886 CB HIS A 55 -4.388 0.268 -1.040 1.00 0.00 C ATOM 887 CG HIS A 55 -5.054 1.605 -1.255 1.00 0.00 C ATOM 888 ND1 HIS A 55 -6.048 1.805 -2.196 1.00 0.00 N ATOM 889 CD2 HIS A 55 -4.858 2.808 -0.640 1.00 0.00 C ATOM 890 CE1 HIS A 55 -6.427 3.074 -2.142 1.00 0.00 C ATOM 891 NE2 HIS A 55 -5.687 3.694 -1.177 1.00 0.00 N ATOM 0 H HIS A 55 -5.866 -1.092 1.126 1.00 0.00 H new ATOM 0 HA HIS A 55 -5.966 -0.905 -1.811 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -3.771 0.321 -0.143 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -3.718 0.069 -1.876 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -4.148 3.005 0.150 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -7.188 3.536 -2.754 1.00 0.00 H new ATOM 0 HE2 HIS A 55 -5.759 4.676 -0.912 1.00 0.00 H new ATOM 899 N THR A 56 -4.361 -2.815 -1.963 1.00 0.00 N ATOM 900 CA THR A 56 -3.691 -4.103 -2.019 1.00 0.00 C ATOM 901 C THR A 56 -2.990 -4.280 -3.367 1.00 0.00 C ATOM 902 O THR A 56 -3.623 -4.640 -4.359 1.00 0.00 O ATOM 903 CB THR A 56 -4.729 -5.189 -1.729 1.00 0.00 C ATOM 904 OG1 THR A 56 -5.863 -4.802 -2.501 1.00 0.00 O ATOM 905 CG2 THR A 56 -5.232 -5.147 -0.284 1.00 0.00 C ATOM 0 H THR A 56 -4.566 -2.401 -2.872 1.00 0.00 H new ATOM 0 HA THR A 56 -2.906 -4.173 -1.266 1.00 0.00 H new ATOM 0 HB THR A 56 -4.296 -6.168 -1.936 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.574 -4.548 -3.402 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.966 -5.938 -0.131 1.00 0.00 H new ATOM 0 HG22 THR A 56 -4.394 -5.293 0.397 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.695 -4.180 -0.088 1.00 0.00 H new ATOM 913 N GLU A 57 -1.690 -4.017 -3.361 1.00 0.00 N ATOM 914 CA GLU A 57 -0.896 -4.143 -4.570 1.00 0.00 C ATOM 915 C GLU A 57 0.130 -5.267 -4.417 1.00 0.00 C ATOM 916 O GLU A 57 0.710 -5.442 -3.348 1.00 0.00 O ATOM 917 CB GLU A 57 -0.210 -2.819 -4.915 1.00 0.00 C ATOM 918 CG GLU A 57 -0.763 -2.238 -6.218 1.00 0.00 C ATOM 919 CD GLU A 57 -0.295 -0.795 -6.418 1.00 0.00 C ATOM 920 OE1 GLU A 57 -0.515 0.007 -5.486 1.00 0.00 O ATOM 921 OE2 GLU A 57 0.273 -0.527 -7.499 1.00 0.00 O ATOM 0 H GLU A 57 -1.168 -3.717 -2.537 1.00 0.00 H new ATOM 0 HA GLU A 57 -1.563 -4.396 -5.394 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -0.358 -2.107 -4.103 1.00 0.00 H new ATOM 0 HB3 GLU A 57 0.864 -2.976 -5.010 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -0.438 -2.849 -7.060 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -1.852 -2.272 -6.202 1.00 0.00 H new ATOM 928 N LYS A 58 0.321 -6.002 -5.503 1.00 0.00 N ATOM 929 CA LYS A 58 1.267 -7.105 -5.504 1.00 0.00 C ATOM 930 C LYS A 58 2.041 -7.108 -6.823 1.00 0.00 C ATOM 931 O LYS A 58 1.486 -7.429 -7.872 1.00 0.00 O ATOM 932 CB LYS A 58 0.551 -8.425 -5.209 1.00 0.00 C ATOM 933 CG LYS A 58 -0.134 -8.970 -6.463 1.00 0.00 C ATOM 934 CD LYS A 58 -1.339 -9.838 -6.096 1.00 0.00 C ATOM 935 CE LYS A 58 -1.873 -10.582 -7.323 1.00 0.00 C ATOM 936 NZ LYS A 58 -3.271 -10.185 -7.601 1.00 0.00 N ATOM 0 H LYS A 58 -0.164 -5.855 -6.388 1.00 0.00 H new ATOM 0 HA LYS A 58 1.998 -6.979 -4.706 1.00 0.00 H new ATOM 0 HB2 LYS A 58 1.268 -9.156 -4.835 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.189 -8.274 -4.423 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -0.456 -8.142 -7.094 1.00 0.00 H new ATOM 0 HG3 LYS A 58 0.577 -9.556 -7.045 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -1.054 -10.556 -5.327 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -2.126 -9.214 -5.674 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -1.248 -10.364 -8.189 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -1.821 -11.658 -7.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -3.579 -10.606 -8.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -3.887 -10.521 -6.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -3.331 -9.149 -7.665 1.00 0.00 H new ATOM 950 N PHE A 59 3.313 -6.746 -6.727 1.00 0.00 N ATOM 951 CA PHE A 59 4.168 -6.702 -7.901 1.00 0.00 C ATOM 952 C PHE A 59 5.515 -7.372 -7.622 1.00 0.00 C ATOM 953 O PHE A 59 5.992 -7.367 -6.488 1.00 0.00 O ATOM 954 CB PHE A 59 4.404 -5.227 -8.229 1.00 0.00 C ATOM 955 CG PHE A 59 4.443 -4.315 -7.000 1.00 0.00 C ATOM 956 CD1 PHE A 59 5.446 -4.441 -6.091 1.00 0.00 C ATOM 957 CD2 PHE A 59 3.475 -3.377 -6.818 1.00 0.00 C ATOM 958 CE1 PHE A 59 5.482 -3.597 -4.951 1.00 0.00 C ATOM 959 CE2 PHE A 59 3.511 -2.531 -5.679 1.00 0.00 C ATOM 960 CZ PHE A 59 4.514 -2.659 -4.768 1.00 0.00 C ATOM 0 H PHE A 59 3.771 -6.481 -5.855 1.00 0.00 H new ATOM 0 HA PHE A 59 3.693 -7.231 -8.727 1.00 0.00 H new ATOM 0 HB2 PHE A 59 5.346 -5.132 -8.770 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.616 -4.884 -8.899 1.00 0.00 H new ATOM 0 HD1 PHE A 59 6.216 -5.184 -6.237 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.679 -3.276 -7.541 1.00 0.00 H new ATOM 0 HE1 PHE A 59 6.278 -3.699 -4.228 1.00 0.00 H new ATOM 0 HE2 PHE A 59 2.743 -1.786 -5.535 1.00 0.00 H new ATOM 0 HZ PHE A 59 4.541 -2.016 -3.900 1.00 0.00 H new ATOM 970 N GLU A 60 6.092 -7.931 -8.675 1.00 0.00 N ATOM 971 CA GLU A 60 7.376 -8.601 -8.558 1.00 0.00 C ATOM 972 C GLU A 60 8.489 -7.720 -9.127 1.00 0.00 C ATOM 973 O GLU A 60 9.671 -8.002 -8.926 1.00 0.00 O ATOM 974 CB GLU A 60 7.347 -9.965 -9.252 1.00 0.00 C ATOM 975 CG GLU A 60 7.240 -9.806 -10.769 1.00 0.00 C ATOM 976 CD GLU A 60 6.321 -10.872 -11.370 1.00 0.00 C ATOM 977 OE1 GLU A 60 5.100 -10.776 -11.115 1.00 0.00 O ATOM 978 OE2 GLU A 60 6.858 -11.756 -12.070 1.00 0.00 O ATOM 0 H GLU A 60 5.694 -7.934 -9.614 1.00 0.00 H new ATOM 0 HA GLU A 60 7.580 -8.771 -7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 60 8.250 -10.522 -9.004 1.00 0.00 H new ATOM 0 HB3 GLU A 60 6.502 -10.547 -8.883 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.857 -8.814 -11.008 1.00 0.00 H new ATOM 0 HG3 GLU A 60 8.231 -9.881 -11.217 1.00 0.00 H new ATOM 985 N THR A 61 8.074 -6.675 -9.826 1.00 0.00 N ATOM 986 CA THR A 61 9.023 -5.752 -10.426 1.00 0.00 C ATOM 987 C THR A 61 9.179 -4.505 -9.551 1.00 0.00 C ATOM 988 O THR A 61 8.195 -3.978 -9.036 1.00 0.00 O ATOM 989 CB THR A 61 8.548 -5.441 -11.846 1.00 0.00 C ATOM 990 OG1 THR A 61 7.188 -5.051 -11.680 1.00 0.00 O ATOM 991 CG2 THR A 61 8.472 -6.693 -12.723 1.00 0.00 C ATOM 0 H THR A 61 7.094 -6.446 -9.991 1.00 0.00 H new ATOM 0 HA THR A 61 10.017 -6.194 -10.490 1.00 0.00 H new ATOM 0 HB THR A 61 9.221 -4.716 -12.304 1.00 0.00 H new ATOM 0 HG1 THR A 61 6.802 -4.830 -12.553 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.130 -6.418 -13.721 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.459 -7.150 -12.791 1.00 0.00 H new ATOM 0 HG23 THR A 61 7.773 -7.404 -12.283 1.00 0.00 H new ATOM 999 N ARG A 62 10.423 -4.071 -9.412 1.00 0.00 N ATOM 1000 CA ARG A 62 10.721 -2.897 -8.609 1.00 0.00 C ATOM 1001 C ARG A 62 10.320 -1.626 -9.361 1.00 0.00 C ATOM 1002 O ARG A 62 9.674 -0.744 -8.795 1.00 0.00 O ATOM 1003 CB ARG A 62 12.209 -2.829 -8.263 1.00 0.00 C ATOM 1004 CG ARG A 62 12.529 -1.565 -7.464 1.00 0.00 C ATOM 1005 CD ARG A 62 13.000 -0.438 -8.385 1.00 0.00 C ATOM 1006 NE ARG A 62 14.457 -0.548 -8.617 1.00 0.00 N ATOM 1007 CZ ARG A 62 15.111 0.080 -9.604 1.00 0.00 C ATOM 1008 NH1 ARG A 62 14.441 0.867 -10.458 1.00 0.00 N ATOM 1009 NH2 ARG A 62 16.435 -0.080 -9.739 1.00 0.00 N ATOM 0 H ARG A 62 11.236 -4.511 -9.842 1.00 0.00 H new ATOM 0 HA ARG A 62 10.149 -2.973 -7.684 1.00 0.00 H new ATOM 0 HB2 ARG A 62 12.492 -3.709 -7.686 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.800 -2.844 -9.179 1.00 0.00 H new ATOM 0 HG2 ARG A 62 11.644 -1.244 -6.914 1.00 0.00 H new ATOM 0 HG3 ARG A 62 13.301 -1.783 -6.726 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.468 -0.487 -9.335 1.00 0.00 H new ATOM 0 HD3 ARG A 62 12.767 0.529 -7.939 1.00 0.00 H new ATOM 0 HE ARG A 62 14.998 -1.139 -7.986 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.433 0.988 -10.357 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.939 1.345 -11.209 1.00 0.00 H new ATOM 0 HH21 ARG A 62 16.945 -0.680 -9.090 1.00 0.00 H new ATOM 0 HH22 ARG A 62 16.932 0.398 -10.490 1.00 0.00 H new ATOM 1023 N SER A 63 10.720 -1.572 -10.622 1.00 0.00 N ATOM 1024 CA SER A 63 10.411 -0.423 -11.457 1.00 0.00 C ATOM 1025 C SER A 63 8.967 0.024 -11.219 1.00 0.00 C ATOM 1026 O SER A 63 8.690 1.218 -11.124 1.00 0.00 O ATOM 1027 CB SER A 63 10.631 -0.741 -12.937 1.00 0.00 C ATOM 1028 OG SER A 63 11.967 -0.466 -13.349 1.00 0.00 O ATOM 0 H SER A 63 11.256 -2.305 -11.087 1.00 0.00 H new ATOM 0 HA SER A 63 11.086 0.388 -11.184 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.404 -1.791 -13.120 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.938 -0.155 -13.541 1.00 0.00 H new ATOM 0 HG SER A 63 12.068 -0.684 -14.299 1.00 0.00 H new ATOM 1034 N GLU A 64 8.084 -0.961 -11.130 1.00 0.00 N ATOM 1035 CA GLU A 64 6.675 -0.686 -10.906 1.00 0.00 C ATOM 1036 C GLU A 64 6.445 -0.243 -9.460 1.00 0.00 C ATOM 1037 O GLU A 64 5.871 0.818 -9.215 1.00 0.00 O ATOM 1038 CB GLU A 64 5.817 -1.903 -11.250 1.00 0.00 C ATOM 1039 CG GLU A 64 4.969 -1.643 -12.497 1.00 0.00 C ATOM 1040 CD GLU A 64 3.548 -1.221 -12.116 1.00 0.00 C ATOM 1041 OE1 GLU A 64 2.864 -2.046 -11.475 1.00 0.00 O ATOM 1042 OE2 GLU A 64 3.179 -0.082 -12.475 1.00 0.00 O ATOM 0 H GLU A 64 8.318 -1.951 -11.209 1.00 0.00 H new ATOM 0 HA GLU A 64 6.374 0.127 -11.567 1.00 0.00 H new ATOM 0 HB2 GLU A 64 6.458 -2.769 -11.416 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.168 -2.144 -10.408 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.434 -0.864 -13.101 1.00 0.00 H new ATOM 0 HG3 GLU A 64 4.933 -2.543 -13.111 1.00 0.00 H new ATOM 1049 N ALA A 65 6.904 -1.077 -8.538 1.00 0.00 N ATOM 1050 CA ALA A 65 6.755 -0.787 -7.124 1.00 0.00 C ATOM 1051 C ALA A 65 7.051 0.695 -6.878 1.00 0.00 C ATOM 1052 O ALA A 65 6.216 1.418 -6.337 1.00 0.00 O ATOM 1053 CB ALA A 65 7.671 -1.705 -6.313 1.00 0.00 C ATOM 0 H ALA A 65 7.380 -1.955 -8.745 1.00 0.00 H new ATOM 0 HA ALA A 65 5.732 -0.979 -6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.558 -1.486 -5.251 1.00 0.00 H new ATOM 0 HB2 ALA A 65 7.402 -2.745 -6.500 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.707 -1.539 -6.609 1.00 0.00 H new ATOM 1059 N THR A 66 8.243 1.103 -7.289 1.00 0.00 N ATOM 1060 CA THR A 66 8.660 2.484 -7.120 1.00 0.00 C ATOM 1061 C THR A 66 7.683 3.426 -7.827 1.00 0.00 C ATOM 1062 O THR A 66 7.344 4.485 -7.301 1.00 0.00 O ATOM 1063 CB THR A 66 10.099 2.609 -7.627 1.00 0.00 C ATOM 1064 OG1 THR A 66 10.411 3.988 -7.445 1.00 0.00 O ATOM 1065 CG2 THR A 66 10.208 2.398 -9.138 1.00 0.00 C ATOM 0 H THR A 66 8.933 0.501 -7.739 1.00 0.00 H new ATOM 0 HA THR A 66 8.643 2.777 -6.070 1.00 0.00 H new ATOM 0 HB THR A 66 10.730 1.883 -7.114 1.00 0.00 H new ATOM 0 HG1 THR A 66 11.328 4.159 -7.747 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.249 2.497 -9.445 1.00 0.00 H new ATOM 0 HG22 THR A 66 9.848 1.401 -9.393 1.00 0.00 H new ATOM 0 HG23 THR A 66 9.605 3.145 -9.654 1.00 0.00 H new ATOM 1073 N LYS A 67 7.257 3.007 -9.010 1.00 0.00 N ATOM 1074 CA LYS A 67 6.326 3.799 -9.793 1.00 0.00 C ATOM 1075 C LYS A 67 5.052 4.035 -8.979 1.00 0.00 C ATOM 1076 O LYS A 67 4.562 5.160 -8.900 1.00 0.00 O ATOM 1077 CB LYS A 67 6.074 3.142 -11.153 1.00 0.00 C ATOM 1078 CG LYS A 67 6.088 4.181 -12.276 1.00 0.00 C ATOM 1079 CD LYS A 67 6.294 3.513 -13.638 1.00 0.00 C ATOM 1080 CE LYS A 67 7.451 4.164 -14.397 1.00 0.00 C ATOM 1081 NZ LYS A 67 7.018 4.570 -15.752 1.00 0.00 N ATOM 0 H LYS A 67 7.540 2.129 -9.445 1.00 0.00 H new ATOM 0 HA LYS A 67 6.751 4.779 -10.012 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.836 2.386 -11.343 1.00 0.00 H new ATOM 0 HB3 LYS A 67 5.113 2.628 -11.140 1.00 0.00 H new ATOM 0 HG2 LYS A 67 5.149 4.734 -12.276 1.00 0.00 H new ATOM 0 HG3 LYS A 67 6.884 4.904 -12.097 1.00 0.00 H new ATOM 0 HD2 LYS A 67 6.497 2.451 -13.499 1.00 0.00 H new ATOM 0 HD3 LYS A 67 5.380 3.589 -14.226 1.00 0.00 H new ATOM 0 HE2 LYS A 67 7.810 5.034 -13.848 1.00 0.00 H new ATOM 0 HE3 LYS A 67 8.285 3.466 -14.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 7.815 5.010 -16.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 6.697 3.733 -16.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 6.237 5.253 -15.677 1.00 0.00 H new ATOM 1095 N ALA A 68 4.553 2.955 -8.396 1.00 0.00 N ATOM 1096 CA ALA A 68 3.345 3.031 -7.591 1.00 0.00 C ATOM 1097 C ALA A 68 3.522 4.103 -6.513 1.00 0.00 C ATOM 1098 O ALA A 68 2.580 4.824 -6.191 1.00 0.00 O ATOM 1099 CB ALA A 68 3.039 1.653 -7.000 1.00 0.00 C ATOM 0 H ALA A 68 4.962 2.023 -8.465 1.00 0.00 H new ATOM 0 HA ALA A 68 2.491 3.319 -8.205 1.00 0.00 H new ATOM 0 HB1 ALA A 68 2.133 1.709 -6.396 1.00 0.00 H new ATOM 0 HB2 ALA A 68 2.893 0.935 -7.807 1.00 0.00 H new ATOM 0 HB3 ALA A 68 3.872 1.332 -6.375 1.00 0.00 H new ATOM 1105 N GLU A 69 4.735 4.171 -5.987 1.00 0.00 N ATOM 1106 CA GLU A 69 5.047 5.141 -4.951 1.00 0.00 C ATOM 1107 C GLU A 69 5.058 6.555 -5.535 1.00 0.00 C ATOM 1108 O GLU A 69 4.392 7.450 -5.016 1.00 0.00 O ATOM 1109 CB GLU A 69 6.384 4.816 -4.279 1.00 0.00 C ATOM 1110 CG GLU A 69 6.417 5.342 -2.842 1.00 0.00 C ATOM 1111 CD GLU A 69 6.868 6.803 -2.804 1.00 0.00 C ATOM 1112 OE1 GLU A 69 6.001 7.671 -3.047 1.00 0.00 O ATOM 1113 OE2 GLU A 69 8.068 7.020 -2.534 1.00 0.00 O ATOM 0 H GLU A 69 5.514 3.571 -6.258 1.00 0.00 H new ATOM 0 HA GLU A 69 4.271 5.089 -4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 69 6.543 3.738 -4.279 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.200 5.258 -4.851 1.00 0.00 H new ATOM 0 HG2 GLU A 69 5.427 5.251 -2.395 1.00 0.00 H new ATOM 0 HG3 GLU A 69 7.094 4.733 -2.243 1.00 0.00 H new ATOM 1120 N ALA A 70 5.820 6.713 -6.607 1.00 0.00 N ATOM 1121 CA ALA A 70 5.925 8.002 -7.268 1.00 0.00 C ATOM 1122 C ALA A 70 4.545 8.663 -7.313 1.00 0.00 C ATOM 1123 O ALA A 70 4.327 9.698 -6.686 1.00 0.00 O ATOM 1124 CB ALA A 70 6.528 7.815 -8.662 1.00 0.00 C ATOM 0 H ALA A 70 6.371 5.969 -7.035 1.00 0.00 H new ATOM 0 HA ALA A 70 6.589 8.664 -6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.606 8.783 -9.157 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.520 7.372 -8.573 1.00 0.00 H new ATOM 0 HB3 ALA A 70 5.888 7.157 -9.250 1.00 0.00 H new ATOM 1130 N ALA A 71 3.650 8.035 -8.061 1.00 0.00 N ATOM 1131 CA ALA A 71 2.297 8.548 -8.196 1.00 0.00 C ATOM 1132 C ALA A 71 1.720 8.826 -6.805 1.00 0.00 C ATOM 1133 O ALA A 71 1.222 9.919 -6.543 1.00 0.00 O ATOM 1134 CB ALA A 71 1.449 7.551 -8.990 1.00 0.00 C ATOM 0 H ALA A 71 3.835 7.176 -8.580 1.00 0.00 H new ATOM 0 HA ALA A 71 2.297 9.488 -8.747 1.00 0.00 H new ATOM 0 HB1 ALA A 71 0.434 7.936 -9.091 1.00 0.00 H new ATOM 0 HB2 ALA A 71 1.884 7.410 -9.979 1.00 0.00 H new ATOM 0 HB3 ALA A 71 1.424 6.596 -8.466 1.00 0.00 H new ATOM 1140 N PHE A 72 1.806 7.815 -5.953 1.00 0.00 N ATOM 1141 CA PHE A 72 1.299 7.937 -4.596 1.00 0.00 C ATOM 1142 C PHE A 72 1.740 9.259 -3.962 1.00 0.00 C ATOM 1143 O PHE A 72 0.914 10.010 -3.447 1.00 0.00 O ATOM 1144 CB PHE A 72 1.889 6.778 -3.792 1.00 0.00 C ATOM 1145 CG PHE A 72 0.853 5.749 -3.331 1.00 0.00 C ATOM 1146 CD1 PHE A 72 0.145 5.038 -4.249 1.00 0.00 C ATOM 1147 CD2 PHE A 72 0.641 5.547 -2.003 1.00 0.00 C ATOM 1148 CE1 PHE A 72 -0.816 4.086 -3.821 1.00 0.00 C ATOM 1149 CE2 PHE A 72 -0.320 4.593 -1.575 1.00 0.00 C ATOM 1150 CZ PHE A 72 -1.028 3.882 -2.492 1.00 0.00 C ATOM 0 H PHE A 72 2.218 6.909 -6.175 1.00 0.00 H new ATOM 0 HA PHE A 72 0.209 7.914 -4.603 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.641 6.274 -4.399 1.00 0.00 H new ATOM 0 HB3 PHE A 72 2.401 7.179 -2.918 1.00 0.00 H new ATOM 0 HD1 PHE A 72 0.314 5.198 -5.304 1.00 0.00 H new ATOM 0 HD2 PHE A 72 1.203 6.112 -1.274 1.00 0.00 H new ATOM 0 HE1 PHE A 72 -1.380 3.523 -4.550 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -0.488 4.432 -0.520 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.758 3.156 -2.166 1.00 0.00 H new ATOM 1160 N LYS A 73 3.042 9.500 -4.019 1.00 0.00 N ATOM 1161 CA LYS A 73 3.603 10.716 -3.458 1.00 0.00 C ATOM 1162 C LYS A 73 2.775 11.916 -3.921 1.00 0.00 C ATOM 1163 O LYS A 73 2.675 12.918 -3.213 1.00 0.00 O ATOM 1164 CB LYS A 73 5.090 10.828 -3.799 1.00 0.00 C ATOM 1165 CG LYS A 73 5.958 10.554 -2.569 1.00 0.00 C ATOM 1166 CD LYS A 73 6.303 11.853 -1.841 1.00 0.00 C ATOM 1167 CE LYS A 73 5.840 11.804 -0.382 1.00 0.00 C ATOM 1168 NZ LYS A 73 5.362 13.135 0.053 1.00 0.00 N ATOM 0 H LYS A 73 3.724 8.873 -4.445 1.00 0.00 H new ATOM 0 HA LYS A 73 3.550 10.692 -2.370 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.340 10.120 -4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 73 5.304 11.825 -4.185 1.00 0.00 H new ATOM 0 HG2 LYS A 73 5.432 9.882 -1.891 1.00 0.00 H new ATOM 0 HG3 LYS A 73 6.875 10.048 -2.872 1.00 0.00 H new ATOM 0 HD2 LYS A 73 7.379 12.021 -1.879 1.00 0.00 H new ATOM 0 HD3 LYS A 73 5.831 12.695 -2.348 1.00 0.00 H new ATOM 0 HE2 LYS A 73 5.042 11.070 -0.272 1.00 0.00 H new ATOM 0 HE3 LYS A 73 6.662 11.479 0.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 5.052 13.085 1.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 6.134 13.827 -0.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 4.564 13.430 -0.545 1.00 0.00 H new ATOM 1182 N LYS A 74 2.198 11.776 -5.107 1.00 0.00 N ATOM 1183 CA LYS A 74 1.381 12.836 -5.671 1.00 0.00 C ATOM 1184 C LYS A 74 -0.078 12.618 -5.268 1.00 0.00 C ATOM 1185 O LYS A 74 -0.771 13.565 -4.897 1.00 0.00 O ATOM 1186 CB LYS A 74 1.594 12.927 -7.184 1.00 0.00 C ATOM 1187 CG LYS A 74 2.693 13.937 -7.523 1.00 0.00 C ATOM 1188 CD LYS A 74 3.373 13.584 -8.848 1.00 0.00 C ATOM 1189 CE LYS A 74 4.885 13.802 -8.764 1.00 0.00 C ATOM 1190 NZ LYS A 74 5.234 15.177 -9.184 1.00 0.00 N ATOM 0 H LYS A 74 2.281 10.944 -5.692 1.00 0.00 H new ATOM 0 HA LYS A 74 1.681 13.804 -5.270 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.863 11.946 -7.577 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.663 13.221 -7.669 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.266 14.938 -7.585 1.00 0.00 H new ATOM 0 HG3 LYS A 74 3.434 13.956 -6.724 1.00 0.00 H new ATOM 0 HD2 LYS A 74 3.166 12.544 -9.102 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.958 14.196 -9.648 1.00 0.00 H new ATOM 0 HE2 LYS A 74 5.227 13.629 -7.744 1.00 0.00 H new ATOM 0 HE3 LYS A 74 5.398 13.080 -9.399 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 6.264 15.308 -9.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 4.925 15.329 -10.165 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 4.759 15.861 -8.561 1.00 0.00 H new ATOM 1204 N LEU A 75 -0.503 11.367 -5.354 1.00 0.00 N ATOM 1205 CA LEU A 75 -1.867 11.013 -5.004 1.00 0.00 C ATOM 1206 C LEU A 75 -2.137 11.415 -3.552 1.00 0.00 C ATOM 1207 O LEU A 75 -1.204 11.660 -2.789 1.00 0.00 O ATOM 1208 CB LEU A 75 -2.129 9.533 -5.290 1.00 0.00 C ATOM 1209 CG LEU A 75 -1.883 9.075 -6.729 1.00 0.00 C ATOM 1210 CD1 LEU A 75 -1.993 7.554 -6.845 1.00 0.00 C ATOM 1211 CD2 LEU A 75 -2.821 9.793 -7.700 1.00 0.00 C ATOM 0 H LEU A 75 0.075 10.585 -5.662 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.573 11.563 -5.626 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.500 8.938 -4.628 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -3.164 9.311 -5.031 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.864 9.347 -7.005 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -1.814 7.254 -7.877 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.252 7.085 -6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.991 7.237 -6.543 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.626 9.449 -8.716 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -3.856 9.574 -7.436 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.651 10.868 -7.642 1.00 0.00 H new ATOM 1223 N THR A 76 -3.417 11.471 -3.215 1.00 0.00 N ATOM 1224 CA THR A 76 -3.820 11.840 -1.868 1.00 0.00 C ATOM 1225 C THR A 76 -4.881 10.869 -1.345 1.00 0.00 C ATOM 1226 O THR A 76 -5.225 9.898 -2.016 1.00 0.00 O ATOM 1227 CB THR A 76 -4.291 13.296 -1.897 1.00 0.00 C ATOM 1228 OG1 THR A 76 -4.806 13.520 -0.588 1.00 0.00 O ATOM 1229 CG2 THR A 76 -5.499 13.503 -2.814 1.00 0.00 C ATOM 0 H THR A 76 -4.188 11.267 -3.851 1.00 0.00 H new ATOM 0 HA THR A 76 -2.985 11.767 -1.171 1.00 0.00 H new ATOM 0 HB THR A 76 -3.472 13.936 -2.226 1.00 0.00 H new ATOM 0 HG1 THR A 76 -5.132 14.442 -0.518 1.00 0.00 H new ATOM 0 HG21 THR A 76 -5.792 14.553 -2.798 1.00 0.00 H new ATOM 0 HG22 THR A 76 -5.237 13.215 -3.832 1.00 0.00 H new ATOM 0 HG23 THR A 76 -6.329 12.889 -2.466 1.00 0.00 H new ATOM 1237 N ARG A 77 -5.369 11.166 -0.150 1.00 0.00 N ATOM 1238 CA ARG A 77 -6.384 10.332 0.472 1.00 0.00 C ATOM 1239 C ARG A 77 -7.532 10.072 -0.507 1.00 0.00 C ATOM 1240 O ARG A 77 -8.301 9.130 -0.330 1.00 0.00 O ATOM 1241 CB ARG A 77 -6.939 10.990 1.737 1.00 0.00 C ATOM 1242 CG ARG A 77 -8.031 10.124 2.370 1.00 0.00 C ATOM 1243 CD ARG A 77 -8.614 10.801 3.612 1.00 0.00 C ATOM 1244 NE ARG A 77 -7.558 10.986 4.632 1.00 0.00 N ATOM 1245 CZ ARG A 77 -7.787 11.406 5.883 1.00 0.00 C ATOM 1246 NH1 ARG A 77 -9.036 11.688 6.278 1.00 0.00 N ATOM 1247 NH2 ARG A 77 -6.767 11.545 6.741 1.00 0.00 N ATOM 0 H ARG A 77 -5.081 11.972 0.404 1.00 0.00 H new ATOM 0 HA ARG A 77 -5.915 9.387 0.745 1.00 0.00 H new ATOM 0 HB2 ARG A 77 -6.133 11.147 2.454 1.00 0.00 H new ATOM 0 HB3 ARG A 77 -7.344 11.972 1.493 1.00 0.00 H new ATOM 0 HG2 ARG A 77 -8.824 9.943 1.644 1.00 0.00 H new ATOM 0 HG3 ARG A 77 -7.619 9.152 2.641 1.00 0.00 H new ATOM 0 HD2 ARG A 77 -9.043 11.766 3.342 1.00 0.00 H new ATOM 0 HD3 ARG A 77 -9.423 10.195 4.020 1.00 0.00 H new ATOM 0 HE ARG A 77 -6.595 10.781 4.366 1.00 0.00 H new ATOM 0 HH11 ARG A 77 -9.813 11.583 5.626 1.00 0.00 H new ATOM 0 HH12 ARG A 77 -9.210 12.008 7.231 1.00 0.00 H new ATOM 0 HH21 ARG A 77 -5.816 11.331 6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 77 -6.942 11.865 7.694 1.00 0.00 H new ATOM 1261 N LYS A 78 -7.610 10.927 -1.515 1.00 0.00 N ATOM 1262 CA LYS A 78 -8.650 10.803 -2.523 1.00 0.00 C ATOM 1263 C LYS A 78 -8.082 10.092 -3.752 1.00 0.00 C ATOM 1264 O LYS A 78 -8.382 8.923 -3.992 1.00 0.00 O ATOM 1265 CB LYS A 78 -9.263 12.171 -2.832 1.00 0.00 C ATOM 1266 CG LYS A 78 -10.791 12.110 -2.792 1.00 0.00 C ATOM 1267 CD LYS A 78 -11.349 11.513 -4.085 1.00 0.00 C ATOM 1268 CE LYS A 78 -12.457 10.501 -3.788 1.00 0.00 C ATOM 1269 NZ LYS A 78 -13.748 11.195 -3.573 1.00 0.00 N ATOM 0 H LYS A 78 -6.970 11.709 -1.656 1.00 0.00 H new ATOM 0 HA LYS A 78 -9.470 10.189 -2.150 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.906 12.905 -2.109 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -8.935 12.507 -3.816 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -11.113 11.509 -1.941 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -11.195 13.112 -2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -11.739 12.309 -4.719 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.547 11.027 -4.641 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -12.548 9.799 -4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -12.199 9.919 -2.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -14.490 10.494 -3.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -13.661 11.848 -2.768 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -14.000 11.731 -4.428 1.00 0.00 H new ATOM 1283 N GLN A 79 -7.271 10.826 -4.499 1.00 0.00 N ATOM 1284 CA GLN A 79 -6.659 10.281 -5.698 1.00 0.00 C ATOM 1285 C GLN A 79 -6.363 8.791 -5.512 1.00 0.00 C ATOM 1286 O GLN A 79 -6.742 7.970 -6.346 1.00 0.00 O ATOM 1287 CB GLN A 79 -5.389 11.049 -6.064 1.00 0.00 C ATOM 1288 CG GLN A 79 -5.477 11.612 -7.484 1.00 0.00 C ATOM 1289 CD GLN A 79 -4.678 12.911 -7.611 1.00 0.00 C ATOM 1290 OE1 GLN A 79 -4.829 13.842 -6.836 1.00 0.00 O ATOM 1291 NE2 GLN A 79 -3.822 12.922 -8.628 1.00 0.00 N ATOM 0 H GLN A 79 -7.023 11.795 -4.297 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.362 10.393 -6.523 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.235 11.863 -5.355 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -4.525 10.389 -5.984 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -5.098 10.877 -8.194 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -6.520 11.796 -7.742 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -3.745 12.109 -9.239 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -3.242 13.744 -8.797 1.00 0.00 H new ATOM 1300 N LYS A 80 -5.690 8.487 -4.413 1.00 0.00 N ATOM 1301 CA LYS A 80 -5.338 7.111 -4.105 1.00 0.00 C ATOM 1302 C LYS A 80 -6.597 6.242 -4.169 1.00 0.00 C ATOM 1303 O LYS A 80 -6.674 5.314 -4.971 1.00 0.00 O ATOM 1304 CB LYS A 80 -4.602 7.031 -2.767 1.00 0.00 C ATOM 1305 CG LYS A 80 -3.110 7.319 -2.944 1.00 0.00 C ATOM 1306 CD LYS A 80 -2.641 8.401 -1.969 1.00 0.00 C ATOM 1307 CE LYS A 80 -1.119 8.548 -2.003 1.00 0.00 C ATOM 1308 NZ LYS A 80 -0.516 8.006 -0.765 1.00 0.00 N ATOM 0 H LYS A 80 -5.378 9.171 -3.723 1.00 0.00 H new ATOM 0 HA LYS A 80 -4.642 6.721 -4.847 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -5.034 7.747 -2.067 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.736 6.040 -2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -2.538 6.406 -2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -2.917 7.639 -3.968 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -3.107 9.352 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.963 8.149 -0.959 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.717 8.024 -2.870 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -0.852 9.599 -2.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 0.360 8.524 -0.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -1.185 8.115 0.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -0.299 6.998 -0.897 1.00 0.00 H new ATOM 1322 N GLU A 81 -7.549 6.575 -3.312 1.00 0.00 N ATOM 1323 CA GLU A 81 -8.801 5.837 -3.260 1.00 0.00 C ATOM 1324 C GLU A 81 -9.217 5.398 -4.666 1.00 0.00 C ATOM 1325 O GLU A 81 -9.486 4.220 -4.897 1.00 0.00 O ATOM 1326 CB GLU A 81 -9.901 6.668 -2.597 1.00 0.00 C ATOM 1327 CG GLU A 81 -11.147 5.820 -2.335 1.00 0.00 C ATOM 1328 CD GLU A 81 -11.489 5.792 -0.844 1.00 0.00 C ATOM 1329 OE1 GLU A 81 -10.849 4.990 -0.131 1.00 0.00 O ATOM 1330 OE2 GLU A 81 -12.382 6.573 -0.452 1.00 0.00 O ATOM 0 H GLU A 81 -7.480 7.346 -2.647 1.00 0.00 H new ATOM 0 HA GLU A 81 -8.649 4.945 -2.652 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -9.534 7.081 -1.657 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -10.159 7.512 -3.236 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -11.990 6.222 -2.897 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -10.981 4.804 -2.693 1.00 0.00 H new ATOM 1337 N GLN A 82 -9.256 6.368 -5.567 1.00 0.00 N ATOM 1338 CA GLN A 82 -9.634 6.098 -6.943 1.00 0.00 C ATOM 1339 C GLN A 82 -8.509 5.353 -7.666 1.00 0.00 C ATOM 1340 O GLN A 82 -8.698 4.227 -8.121 1.00 0.00 O ATOM 1341 CB GLN A 82 -9.996 7.389 -7.676 1.00 0.00 C ATOM 1342 CG GLN A 82 -11.299 7.226 -8.464 1.00 0.00 C ATOM 1343 CD GLN A 82 -12.284 8.348 -8.132 1.00 0.00 C ATOM 1344 OE1 GLN A 82 -12.543 9.238 -8.926 1.00 0.00 O ATOM 1345 NE2 GLN A 82 -12.819 8.257 -6.918 1.00 0.00 N ATOM 0 H GLN A 82 -9.032 7.343 -5.370 1.00 0.00 H new ATOM 0 HA GLN A 82 -10.520 5.463 -6.938 1.00 0.00 H new ATOM 0 HB2 GLN A 82 -10.101 8.202 -6.958 1.00 0.00 H new ATOM 0 HB3 GLN A 82 -9.189 7.665 -8.354 1.00 0.00 H new ATOM 0 HG2 GLN A 82 -11.085 7.230 -9.533 1.00 0.00 H new ATOM 0 HG3 GLN A 82 -11.750 6.261 -8.233 1.00 0.00 H new ATOM 0 HE21 GLN A 82 -12.559 7.486 -6.303 1.00 0.00 H new ATOM 0 HE22 GLN A 82 -13.489 8.958 -6.602 1.00 0.00 H new ATOM 1354 N TYR A 83 -7.365 6.014 -7.750 1.00 0.00 N ATOM 1355 CA TYR A 83 -6.210 5.430 -8.410 1.00 0.00 C ATOM 1356 C TYR A 83 -6.145 3.921 -8.167 1.00 0.00 C ATOM 1357 O TYR A 83 -5.886 3.151 -9.089 1.00 0.00 O ATOM 1358 CB TYR A 83 -4.983 6.089 -7.776 1.00 0.00 C ATOM 1359 CG TYR A 83 -3.679 5.321 -7.999 1.00 0.00 C ATOM 1360 CD1 TYR A 83 -2.964 5.498 -9.165 1.00 0.00 C ATOM 1361 CD2 TYR A 83 -3.218 4.452 -7.032 1.00 0.00 C ATOM 1362 CE1 TYR A 83 -1.736 4.775 -9.374 1.00 0.00 C ATOM 1363 CE2 TYR A 83 -1.990 3.728 -7.240 1.00 0.00 C ATOM 1364 CZ TYR A 83 -1.310 3.926 -8.401 1.00 0.00 C ATOM 1365 OH TYR A 83 -0.150 3.243 -8.598 1.00 0.00 O ATOM 0 H TYR A 83 -7.213 6.949 -7.372 1.00 0.00 H new ATOM 0 HA TYR A 83 -6.262 5.591 -9.487 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -4.874 7.095 -8.181 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -5.152 6.193 -6.704 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -3.325 6.179 -9.922 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -3.778 4.314 -6.119 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -1.167 4.904 -10.283 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -1.618 3.044 -6.491 1.00 0.00 H new ATOM 0 HH TYR A 83 0.031 2.675 -7.820 1.00 0.00 H new ATOM 1375 N LEU A 84 -6.383 3.544 -6.918 1.00 0.00 N ATOM 1376 CA LEU A 84 -6.356 2.141 -6.543 1.00 0.00 C ATOM 1377 C LEU A 84 -7.704 1.501 -6.879 1.00 0.00 C ATOM 1378 O LEU A 84 -7.760 0.513 -7.609 1.00 0.00 O ATOM 1379 CB LEU A 84 -5.950 1.988 -5.075 1.00 0.00 C ATOM 1380 CG LEU A 84 -4.465 2.186 -4.766 1.00 0.00 C ATOM 1381 CD1 LEU A 84 -4.245 3.438 -3.915 1.00 0.00 C ATOM 1382 CD2 LEU A 84 -3.869 0.937 -4.112 1.00 0.00 C ATOM 0 H LEU A 84 -6.595 4.186 -6.154 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.599 1.607 -7.117 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -6.522 2.703 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -6.241 0.992 -4.740 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.938 2.339 -5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -3.181 3.556 -3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -4.610 4.313 -4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -4.787 3.339 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.812 1.105 -3.903 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -4.395 0.728 -3.180 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.975 0.087 -4.787 1.00 0.00 H new ATOM 1394 N LYS A 85 -8.755 2.089 -6.328 1.00 0.00 N ATOM 1395 CA LYS A 85 -10.099 1.588 -6.561 1.00 0.00 C ATOM 1396 C LYS A 85 -10.262 1.242 -8.042 1.00 0.00 C ATOM 1397 O LYS A 85 -10.722 0.153 -8.383 1.00 0.00 O ATOM 1398 CB LYS A 85 -11.139 2.584 -6.043 1.00 0.00 C ATOM 1399 CG LYS A 85 -12.557 2.137 -6.408 1.00 0.00 C ATOM 1400 CD LYS A 85 -13.491 3.339 -6.555 1.00 0.00 C ATOM 1401 CE LYS A 85 -13.177 4.124 -7.830 1.00 0.00 C ATOM 1402 NZ LYS A 85 -13.858 3.514 -8.995 1.00 0.00 N ATOM 0 H LYS A 85 -8.704 2.907 -5.721 1.00 0.00 H new ATOM 0 HA LYS A 85 -10.265 0.668 -6.000 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -11.051 2.677 -4.961 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -10.945 3.570 -6.465 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -12.535 1.573 -7.340 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -12.940 1.467 -5.639 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -14.526 2.999 -6.579 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -13.389 3.991 -5.688 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -13.498 5.159 -7.715 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -12.100 4.140 -7.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -13.805 4.162 -9.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -13.393 2.616 -9.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -14.855 3.334 -8.760 1.00 0.00 H new ATOM 1416 N THR A 86 -9.876 2.191 -8.884 1.00 0.00 N ATOM 1417 CA THR A 86 -9.972 2.000 -10.321 1.00 0.00 C ATOM 1418 C THR A 86 -9.497 0.598 -10.707 1.00 0.00 C ATOM 1419 O THR A 86 -10.072 -0.034 -11.592 1.00 0.00 O ATOM 1420 CB THR A 86 -9.181 3.119 -11.001 1.00 0.00 C ATOM 1421 OG1 THR A 86 -7.896 3.056 -10.386 1.00 0.00 O ATOM 1422 CG2 THR A 86 -9.701 4.511 -10.635 1.00 0.00 C ATOM 0 H THR A 86 -9.497 3.094 -8.598 1.00 0.00 H new ATOM 0 HA THR A 86 -11.006 2.062 -10.659 1.00 0.00 H new ATOM 0 HB THR A 86 -9.224 2.989 -12.082 1.00 0.00 H new ATOM 0 HG1 THR A 86 -7.891 3.614 -9.581 1.00 0.00 H new ATOM 0 HG21 THR A 86 -9.104 5.268 -11.144 1.00 0.00 H new ATOM 0 HG22 THR A 86 -10.743 4.603 -10.942 1.00 0.00 H new ATOM 0 HG23 THR A 86 -9.627 4.655 -9.557 1.00 0.00 H new ATOM 1430 N PHE A 87 -8.453 0.153 -10.023 1.00 0.00 N ATOM 1431 CA PHE A 87 -7.894 -1.162 -10.284 1.00 0.00 C ATOM 1432 C PHE A 87 -8.479 -2.205 -9.329 1.00 0.00 C ATOM 1433 O PHE A 87 -8.849 -3.300 -9.749 1.00 0.00 O ATOM 1434 CB PHE A 87 -6.386 -1.061 -10.047 1.00 0.00 C ATOM 1435 CG PHE A 87 -5.662 -2.409 -10.067 1.00 0.00 C ATOM 1436 CD1 PHE A 87 -5.364 -3.004 -11.253 1.00 0.00 C ATOM 1437 CD2 PHE A 87 -5.316 -3.013 -8.898 1.00 0.00 C ATOM 1438 CE1 PHE A 87 -4.692 -4.255 -11.272 1.00 0.00 C ATOM 1439 CE2 PHE A 87 -4.645 -4.263 -8.916 1.00 0.00 C ATOM 1440 CZ PHE A 87 -4.346 -4.858 -10.102 1.00 0.00 C ATOM 0 H PHE A 87 -7.980 0.680 -9.289 1.00 0.00 H new ATOM 0 HA PHE A 87 -8.126 -1.470 -11.303 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.951 -0.415 -10.810 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.211 -0.580 -9.084 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -5.639 -2.525 -12.181 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.552 -2.541 -7.956 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -4.456 -4.727 -12.214 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -4.372 -4.742 -7.988 1.00 0.00 H new ATOM 0 HZ PHE A 87 -3.834 -5.809 -10.115 1.00 0.00 H new ATOM 1450 N HIS A 88 -8.547 -1.828 -8.060 1.00 0.00 N ATOM 1451 CA HIS A 88 -9.080 -2.716 -7.042 1.00 0.00 C ATOM 1452 C HIS A 88 -10.396 -3.326 -7.531 1.00 0.00 C ATOM 1453 O HIS A 88 -10.637 -4.518 -7.351 1.00 0.00 O ATOM 1454 CB HIS A 88 -9.224 -1.987 -5.706 1.00 0.00 C ATOM 1455 CG HIS A 88 -9.326 -2.906 -4.511 1.00 0.00 C ATOM 1456 ND1 HIS A 88 -10.097 -4.054 -4.514 1.00 0.00 N ATOM 1457 CD2 HIS A 88 -8.744 -2.833 -3.279 1.00 0.00 C ATOM 1458 CE1 HIS A 88 -9.979 -4.640 -3.330 1.00 0.00 C ATOM 1459 NE2 HIS A 88 -9.141 -3.882 -2.566 1.00 0.00 N ATOM 0 H HIS A 88 -8.241 -0.918 -7.714 1.00 0.00 H new ATOM 0 HA HIS A 88 -8.383 -3.536 -6.868 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -8.368 -1.326 -5.571 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -10.112 -1.356 -5.742 1.00 0.00 H new ATOM 0 HD1 HIS A 88 -10.660 -4.392 -5.294 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -8.075 -2.056 -2.941 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -10.462 -5.557 -3.024 1.00 0.00 H new ATOM 1467 N LEU A 89 -11.213 -2.477 -8.138 1.00 0.00 N ATOM 1468 CA LEU A 89 -12.498 -2.916 -8.655 1.00 0.00 C ATOM 1469 C LEU A 89 -12.275 -3.975 -9.736 1.00 0.00 C ATOM 1470 O LEU A 89 -12.725 -5.112 -9.601 1.00 0.00 O ATOM 1471 CB LEU A 89 -13.324 -1.719 -9.127 1.00 0.00 C ATOM 1472 CG LEU A 89 -14.477 -1.296 -8.216 1.00 0.00 C ATOM 1473 CD1 LEU A 89 -13.994 -1.091 -6.779 1.00 0.00 C ATOM 1474 CD2 LEU A 89 -15.185 -0.056 -8.766 1.00 0.00 C ATOM 0 H LEU A 89 -11.010 -1.488 -8.283 1.00 0.00 H new ATOM 0 HA LEU A 89 -13.084 -3.386 -7.866 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -12.655 -0.868 -9.251 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -13.731 -1.950 -10.111 1.00 0.00 H new ATOM 0 HG LEU A 89 -15.210 -2.102 -8.197 1.00 0.00 H new ATOM 0 HD11 LEU A 89 -14.834 -0.791 -6.152 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -13.573 -2.022 -6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 89 -13.230 -0.314 -6.759 1.00 0.00 H new ATOM 0 HD21 LEU A 89 -16.001 0.223 -8.099 1.00 0.00 H new ATOM 0 HD22 LEU A 89 -14.475 0.768 -8.835 1.00 0.00 H new ATOM 0 HD23 LEU A 89 -15.585 -0.274 -9.756 1.00 0.00 H new ATOM 1486 N GLU A 90 -11.578 -3.564 -10.786 1.00 0.00 N ATOM 1487 CA GLU A 90 -11.288 -4.462 -11.890 1.00 0.00 C ATOM 1488 C GLU A 90 -10.223 -5.481 -11.481 1.00 0.00 C ATOM 1489 O GLU A 90 -9.762 -5.478 -10.340 1.00 0.00 O ATOM 1490 CB GLU A 90 -10.852 -3.682 -13.132 1.00 0.00 C ATOM 1491 CG GLU A 90 -9.419 -3.167 -12.980 1.00 0.00 C ATOM 1492 CD GLU A 90 -8.506 -3.758 -14.055 1.00 0.00 C ATOM 1493 OE1 GLU A 90 -8.465 -5.005 -14.142 1.00 0.00 O ATOM 1494 OE2 GLU A 90 -7.869 -2.951 -14.766 1.00 0.00 O ATOM 0 H GLU A 90 -11.206 -2.621 -10.895 1.00 0.00 H new ATOM 0 HA GLU A 90 -12.201 -5.002 -12.142 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -10.921 -4.323 -14.011 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -11.529 -2.843 -13.295 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -9.411 -2.079 -13.049 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -9.039 -3.427 -11.992 1.00 0.00 H new ATOM 1501 N HIS A 91 -9.864 -6.329 -12.433 1.00 0.00 N ATOM 1502 CA HIS A 91 -8.863 -7.353 -12.185 1.00 0.00 C ATOM 1503 C HIS A 91 -8.213 -7.766 -13.507 1.00 0.00 C ATOM 1504 O HIS A 91 -8.902 -7.953 -14.510 1.00 0.00 O ATOM 1505 CB HIS A 91 -9.468 -8.535 -11.426 1.00 0.00 C ATOM 1506 CG HIS A 91 -9.186 -8.522 -9.943 1.00 0.00 C ATOM 1507 ND1 HIS A 91 -10.077 -9.020 -9.006 1.00 0.00 N ATOM 1508 CD2 HIS A 91 -8.108 -8.067 -9.243 1.00 0.00 C ATOM 1509 CE1 HIS A 91 -9.546 -8.867 -7.803 1.00 0.00 C ATOM 1510 NE2 HIS A 91 -8.327 -8.275 -7.952 1.00 0.00 N ATOM 0 H HIS A 91 -10.248 -6.328 -13.378 1.00 0.00 H new ATOM 0 HA HIS A 91 -8.078 -6.951 -11.544 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -10.547 -8.538 -11.580 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -9.082 -9.462 -11.851 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -7.225 -7.614 -9.668 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -9.999 -9.160 -6.867 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -7.688 -8.032 -7.195 1.00 0.00 H new ATOM 1518 N HIS A 92 -6.896 -7.897 -13.468 1.00 0.00 N ATOM 1519 CA HIS A 92 -6.145 -8.285 -14.651 1.00 0.00 C ATOM 1520 C HIS A 92 -5.464 -9.632 -14.406 1.00 0.00 C ATOM 1521 O HIS A 92 -5.451 -10.132 -13.282 1.00 0.00 O ATOM 1522 CB HIS A 92 -5.160 -7.187 -15.054 1.00 0.00 C ATOM 1523 CG HIS A 92 -5.687 -6.246 -16.111 1.00 0.00 C ATOM 1524 ND1 HIS A 92 -5.160 -4.985 -16.322 1.00 0.00 N ATOM 1525 CD2 HIS A 92 -6.698 -6.397 -17.013 1.00 0.00 C ATOM 1526 CE1 HIS A 92 -5.831 -4.410 -17.310 1.00 0.00 C ATOM 1527 NE2 HIS A 92 -6.785 -5.287 -17.737 1.00 0.00 N ATOM 0 H HIS A 92 -6.328 -7.741 -12.635 1.00 0.00 H new ATOM 0 HA HIS A 92 -6.825 -8.408 -15.494 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -4.893 -6.610 -14.169 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -4.244 -7.651 -15.420 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.323 -7.271 -17.121 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -5.654 -3.421 -17.707 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -7.454 -5.118 -18.488 1.00 0.00 H new ATOM 1535 N HIS A 93 -4.914 -10.184 -15.478 1.00 0.00 N ATOM 1536 CA HIS A 93 -4.233 -11.465 -15.395 1.00 0.00 C ATOM 1537 C HIS A 93 -2.839 -11.265 -14.795 1.00 0.00 C ATOM 1538 O HIS A 93 -2.148 -10.303 -15.125 1.00 0.00 O ATOM 1539 CB HIS A 93 -4.196 -12.151 -16.763 1.00 0.00 C ATOM 1540 CG HIS A 93 -4.499 -13.629 -16.716 1.00 0.00 C ATOM 1541 ND1 HIS A 93 -4.694 -14.390 -17.854 1.00 0.00 N ATOM 1542 CD2 HIS A 93 -4.641 -14.478 -15.656 1.00 0.00 C ATOM 1543 CE1 HIS A 93 -4.941 -15.638 -17.486 1.00 0.00 C ATOM 1544 NE2 HIS A 93 -4.907 -15.691 -16.123 1.00 0.00 N ATOM 0 H HIS A 93 -4.926 -9.767 -16.409 1.00 0.00 H new ATOM 0 HA HIS A 93 -4.785 -12.133 -14.733 1.00 0.00 H new ATOM 0 HB2 HIS A 93 -4.915 -11.664 -17.422 1.00 0.00 H new ATOM 0 HB3 HIS A 93 -3.210 -12.006 -17.204 1.00 0.00 H new ATOM 0 HD2 HIS A 93 -4.552 -14.208 -14.614 1.00 0.00 H new ATOM 0 HE1 HIS A 93 -5.135 -16.468 -18.149 1.00 0.00 H new ATOM 0 HE2 HIS A 93 -5.061 -16.525 -15.557 1.00 0.00 H new ATOM 1552 N HIS A 94 -2.468 -12.192 -13.922 1.00 0.00 N ATOM 1553 CA HIS A 94 -1.170 -12.130 -13.273 1.00 0.00 C ATOM 1554 C HIS A 94 -0.635 -13.549 -13.060 1.00 0.00 C ATOM 1555 O HIS A 94 -1.341 -14.525 -13.307 1.00 0.00 O ATOM 1556 CB HIS A 94 -1.251 -11.328 -11.973 1.00 0.00 C ATOM 1557 CG HIS A 94 -1.994 -12.030 -10.861 1.00 0.00 C ATOM 1558 ND1 HIS A 94 -3.338 -12.352 -10.945 1.00 0.00 N ATOM 1559 CD2 HIS A 94 -1.568 -12.469 -9.642 1.00 0.00 C ATOM 1560 CE1 HIS A 94 -3.693 -12.956 -9.821 1.00 0.00 C ATOM 1561 NE2 HIS A 94 -2.595 -13.027 -9.015 1.00 0.00 N ATOM 0 H HIS A 94 -3.044 -12.989 -13.650 1.00 0.00 H new ATOM 0 HA HIS A 94 -0.463 -11.603 -13.915 1.00 0.00 H new ATOM 0 HB2 HIS A 94 -0.240 -11.103 -11.634 1.00 0.00 H new ATOM 0 HB3 HIS A 94 -1.739 -10.375 -12.176 1.00 0.00 H new ATOM 0 HD2 HIS A 94 -0.565 -12.378 -9.253 1.00 0.00 H new ATOM 0 HE1 HIS A 94 -4.679 -13.327 -9.584 1.00 0.00 H new ATOM 0 HE2 HIS A 94 -2.568 -13.441 -8.083 1.00 0.00 H new ATOM 1569 N HIS A 95 0.608 -13.615 -12.608 1.00 0.00 N ATOM 1570 CA HIS A 95 1.246 -14.897 -12.360 1.00 0.00 C ATOM 1571 C HIS A 95 1.294 -15.165 -10.854 1.00 0.00 C ATOM 1572 O HIS A 95 1.944 -14.432 -10.111 1.00 0.00 O ATOM 1573 CB HIS A 95 2.628 -14.952 -13.017 1.00 0.00 C ATOM 1574 CG HIS A 95 3.052 -16.338 -13.441 1.00 0.00 C ATOM 1575 ND1 HIS A 95 3.272 -16.684 -14.761 1.00 0.00 N ATOM 1576 CD2 HIS A 95 3.294 -17.459 -12.703 1.00 0.00 C ATOM 1577 CE1 HIS A 95 3.630 -17.959 -14.806 1.00 0.00 C ATOM 1578 NE2 HIS A 95 3.643 -18.438 -13.529 1.00 0.00 N ATOM 0 H HIS A 95 1.191 -12.802 -12.407 1.00 0.00 H new ATOM 0 HA HIS A 95 0.658 -15.694 -12.816 1.00 0.00 H new ATOM 0 HB2 HIS A 95 2.630 -14.300 -13.890 1.00 0.00 H new ATOM 0 HB3 HIS A 95 3.366 -14.555 -12.320 1.00 0.00 H new ATOM 0 HD2 HIS A 95 3.215 -17.537 -11.629 1.00 0.00 H new ATOM 0 HE1 HIS A 95 3.869 -18.520 -15.697 1.00 0.00 H new ATOM 0 HE2 HIS A 95 3.881 -19.391 -13.254 1.00 0.00 H new ATOM 1586 N HIS A 96 0.598 -16.217 -10.450 1.00 0.00 N ATOM 1587 CA HIS A 96 0.554 -16.589 -9.046 1.00 0.00 C ATOM 1588 C HIS A 96 1.973 -16.625 -8.479 1.00 0.00 C ATOM 1589 O HIS A 96 2.297 -17.482 -7.657 1.00 0.00 O ATOM 1590 CB HIS A 96 -0.193 -17.913 -8.860 1.00 0.00 C ATOM 1591 CG HIS A 96 -1.538 -17.769 -8.189 1.00 0.00 C ATOM 1592 ND1 HIS A 96 -1.894 -18.489 -7.061 1.00 0.00 N ATOM 1593 CD2 HIS A 96 -2.609 -16.983 -8.498 1.00 0.00 C ATOM 1594 CE1 HIS A 96 -3.125 -18.143 -6.717 1.00 0.00 C ATOM 1595 NE2 HIS A 96 -3.567 -17.211 -7.608 1.00 0.00 N ATOM 0 H HIS A 96 0.060 -16.823 -11.069 1.00 0.00 H new ATOM 0 HA HIS A 96 -0.004 -15.840 -8.484 1.00 0.00 H new ATOM 0 HB2 HIS A 96 -0.333 -18.380 -9.835 1.00 0.00 H new ATOM 0 HB3 HIS A 96 0.426 -18.588 -8.269 1.00 0.00 H new ATOM 0 HD2 HIS A 96 -2.668 -16.292 -9.326 1.00 0.00 H new ATOM 0 HE1 HIS A 96 -3.682 -18.531 -5.877 1.00 0.00 H new ATOM 0 HE2 HIS A 96 -4.483 -16.763 -7.593 1.00 0.00 H new TER 1603 HIS A 96