USER MOD reduce.3.24.130724 H: found=0, std=0, add=821, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 695 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 15 SER OG : rot 180:sc= 0.0553 USER MOD Set 1.2: A 17 SER OG : rot -96:sc= 0.0523 USER MOD Set 1.3: A 84 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.00309) USER MOD Set 2.1: A 60 HIS : no HD1:sc= -3.79 K(o=-3.8,f=-6.3!) USER MOD Set 2.2: A 61 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 20 CYS SG : rot 21:sc= -3.61! USER MOD Set 3.2: A 42 CYS SG : rot -60:sc= 0.256 USER MOD Set 3.3: A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 151:sc= -0.368 (180deg=-1.81!) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 ASN : amide:sc= -0.657 K(o=-0.66,f=-2.3!) USER MOD Single : A 9 ASN : amide:sc= 1.04 K(o=1,f=-0.51) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 LYS NZ :NH3+ 153:sc= -2.49! (180deg=-3.67!) USER MOD Single : A 23 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -2.44 K(o=-2.4,f=-4.2) USER MOD Single : A 46 CYS SG : rot 180:sc= -0.686 USER MOD Single : A 51 MET CE :methyl -127:sc= -4.11! (180deg=-10.5!) USER MOD Single : A 52 ASN :FLIP amide:sc= -1.01 F(o=-5.2!,f=-1) USER MOD Single : A 53 MET CE :methyl -153:sc= -0.757 (180deg=-2.48!) USER MOD Single : A 54 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 59 LYS NZ :NH3+ 145:sc=-0.000834 (180deg=-1.78!) USER MOD Single : A 64 HIS : no HD1:sc= -0.0757 X(o=-0.076,f=0) USER MOD Single : A 65 ASN :FLIP amide:sc= -1.92 F(o=-2.6,f=-1.9) USER MOD Single : A 70 HIS : no HE2:sc= -0.854 K(o=-0.85,f=-2.4!) USER MOD Single : A 74 ASN : amide:sc= -1.9 K(o=-1.9,f=-6.3!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.391 K(o=-0.39,f=-2!) USER MOD Single : A 80 ASN : amide:sc= -2.14 K(o=-2.1,f=-4.7!) USER MOD Single : A 85 ASN : amide:sc= -0.0084 X(o=-0.0084,f=-0.34) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 LYS NZ :NH3+ 163:sc= -0.0207 (180deg=-0.307) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.122 15.934 -5.041 1.00 0.00 N ATOM 2 CA MET A 1 6.785 15.373 -5.135 1.00 0.00 C ATOM 3 C MET A 1 6.683 14.064 -4.348 1.00 0.00 C ATOM 4 O MET A 1 7.645 13.301 -4.278 1.00 0.00 O ATOM 5 CB MET A 1 6.441 15.114 -6.604 1.00 0.00 C ATOM 6 CG MET A 1 7.581 14.379 -7.311 1.00 0.00 C ATOM 7 SD MET A 1 7.469 12.626 -6.988 1.00 0.00 S ATOM 8 CE MET A 1 8.821 12.038 -7.994 1.00 0.00 C ATOM 0 H1 MET A 1 8.329 16.483 -5.899 1.00 0.00 H new ATOM 0 H2 MET A 1 8.180 16.556 -4.210 1.00 0.00 H new ATOM 0 H3 MET A 1 8.815 15.165 -4.947 1.00 0.00 H new ATOM 0 HA MET A 1 6.081 16.088 -4.709 1.00 0.00 H new ATOM 0 HB2 MET A 1 5.527 14.524 -6.669 1.00 0.00 H new ATOM 0 HB3 MET A 1 6.245 16.060 -7.108 1.00 0.00 H new ATOM 0 HG2 MET A 1 7.533 14.563 -8.384 1.00 0.00 H new ATOM 0 HG3 MET A 1 8.541 14.761 -6.964 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.894 10.954 -7.908 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.644 12.309 -9.035 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.752 12.492 -7.654 1.00 0.00 H new ATOM 16 N SER A 2 5.507 13.846 -3.776 1.00 0.00 N ATOM 17 CA SER A 2 5.268 12.643 -2.998 1.00 0.00 C ATOM 18 C SER A 2 3.943 12.002 -3.419 1.00 0.00 C ATOM 19 O SER A 2 2.908 12.666 -3.440 1.00 0.00 O ATOM 20 CB SER A 2 5.255 12.950 -1.499 1.00 0.00 C ATOM 21 OG SER A 2 6.159 12.119 -0.776 1.00 0.00 O ATOM 0 H SER A 2 4.711 14.481 -3.836 1.00 0.00 H new ATOM 0 HA SER A 2 6.081 11.944 -3.192 1.00 0.00 H new ATOM 0 HB2 SER A 2 5.518 13.996 -1.341 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.246 12.813 -1.110 1.00 0.00 H new ATOM 0 HG SER A 2 6.123 12.347 0.176 1.00 0.00 H new ATOM 26 N GLU A 3 4.020 10.720 -3.745 1.00 0.00 N ATOM 27 CA GLU A 3 2.840 9.983 -4.165 1.00 0.00 C ATOM 28 C GLU A 3 2.909 8.539 -3.661 1.00 0.00 C ATOM 29 O GLU A 3 3.852 7.813 -3.974 1.00 0.00 O ATOM 30 CB GLU A 3 2.680 10.025 -5.685 1.00 0.00 C ATOM 31 CG GLU A 3 2.754 11.463 -6.204 1.00 0.00 C ATOM 32 CD GLU A 3 2.364 11.533 -7.682 1.00 0.00 C ATOM 33 OE1 GLU A 3 3.238 11.697 -8.547 1.00 0.00 O ATOM 34 OE2 GLU A 3 1.102 11.410 -7.920 1.00 0.00 O ATOM 0 H GLU A 3 4.881 10.173 -3.727 1.00 0.00 H new ATOM 0 HA GLU A 3 1.963 10.459 -3.727 1.00 0.00 H new ATOM 0 HB2 GLU A 3 3.460 9.425 -6.153 1.00 0.00 H new ATOM 0 HB3 GLU A 3 1.725 9.582 -5.966 1.00 0.00 H new ATOM 0 HG2 GLU A 3 2.090 12.099 -5.619 1.00 0.00 H new ATOM 0 HG3 GLU A 3 3.765 11.850 -6.072 1.00 0.00 H new ATOM 40 N VAL A 4 1.899 8.167 -2.888 1.00 0.00 N ATOM 41 CA VAL A 4 1.833 6.824 -2.339 1.00 0.00 C ATOM 42 C VAL A 4 0.616 6.100 -2.918 1.00 0.00 C ATOM 43 O VAL A 4 -0.509 6.588 -2.815 1.00 0.00 O ATOM 44 CB VAL A 4 1.822 6.884 -0.809 1.00 0.00 C ATOM 45 CG1 VAL A 4 0.456 6.474 -0.256 1.00 0.00 C ATOM 46 CG2 VAL A 4 2.936 6.019 -0.219 1.00 0.00 C ATOM 0 H VAL A 4 1.120 8.773 -2.629 1.00 0.00 H new ATOM 0 HA VAL A 4 2.716 6.252 -2.622 1.00 0.00 H new ATOM 0 HB VAL A 4 2.008 7.916 -0.511 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.474 6.525 0.833 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -0.309 7.150 -0.638 1.00 0.00 H new ATOM 0 HG13 VAL A 4 0.228 5.455 -0.568 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.906 6.079 0.869 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.795 4.984 -0.529 1.00 0.00 H new ATOM 0 HG23 VAL A 4 3.902 6.377 -0.576 1.00 0.00 H new ATOM 56 N ASN A 5 0.882 4.946 -3.513 1.00 0.00 N ATOM 57 CA ASN A 5 -0.178 4.150 -4.108 1.00 0.00 C ATOM 58 C ASN A 5 -0.132 2.734 -3.531 1.00 0.00 C ATOM 59 O ASN A 5 0.833 2.002 -3.746 1.00 0.00 O ATOM 60 CB ASN A 5 -0.004 4.048 -5.625 1.00 0.00 C ATOM 61 CG ASN A 5 0.587 5.337 -6.198 1.00 0.00 C ATOM 62 OD1 ASN A 5 1.684 5.751 -5.859 1.00 0.00 O ATOM 63 ND2 ASN A 5 -0.198 5.946 -7.081 1.00 0.00 N ATOM 0 H ASN A 5 1.816 4.544 -3.596 1.00 0.00 H new ATOM 0 HA ASN A 5 -1.129 4.634 -3.885 1.00 0.00 H new ATOM 0 HB2 ASN A 5 0.648 3.208 -5.864 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -0.968 3.847 -6.092 1.00 0.00 H new ATOM 0 HD21 ASN A 5 0.107 6.815 -7.520 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -1.105 5.545 -7.319 1.00 0.00 H new ATOM 69 N ILE A 6 -1.187 2.389 -2.806 1.00 0.00 N ATOM 70 CA ILE A 6 -1.278 1.074 -2.196 1.00 0.00 C ATOM 71 C ILE A 6 -2.725 0.583 -2.270 1.00 0.00 C ATOM 72 O ILE A 6 -3.601 1.111 -1.587 1.00 0.00 O ATOM 73 CB ILE A 6 -0.711 1.102 -0.776 1.00 0.00 C ATOM 74 CG1 ILE A 6 -0.408 2.536 -0.334 1.00 0.00 C ATOM 75 CG2 ILE A 6 0.516 0.195 -0.657 1.00 0.00 C ATOM 76 CD1 ILE A 6 -1.669 3.401 -0.379 1.00 0.00 C ATOM 0 H ILE A 6 -1.986 2.998 -2.628 1.00 0.00 H new ATOM 0 HA ILE A 6 -0.668 0.356 -2.744 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.469 0.709 -0.098 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -0.002 2.531 0.678 1.00 0.00 H new ATOM 0 HG13 ILE A 6 0.356 2.966 -0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 6 0.899 0.233 0.363 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.236 -0.830 -0.901 1.00 0.00 H new ATOM 0 HG23 ILE A 6 1.288 0.534 -1.348 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -1.426 4.415 -0.060 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -2.058 3.424 -1.397 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.422 2.981 0.288 1.00 0.00 H new ATOM 87 N VAL A 7 -2.932 -0.425 -3.106 1.00 0.00 N ATOM 88 CA VAL A 7 -4.258 -0.994 -3.278 1.00 0.00 C ATOM 89 C VAL A 7 -4.170 -2.518 -3.184 1.00 0.00 C ATOM 90 O VAL A 7 -3.408 -3.147 -3.918 1.00 0.00 O ATOM 91 CB VAL A 7 -4.868 -0.511 -4.596 1.00 0.00 C ATOM 92 CG1 VAL A 7 -4.405 0.910 -4.926 1.00 0.00 C ATOM 93 CG2 VAL A 7 -4.537 -1.474 -5.738 1.00 0.00 C ATOM 0 H VAL A 7 -2.204 -0.862 -3.671 1.00 0.00 H new ATOM 0 HA VAL A 7 -4.924 -0.657 -2.484 1.00 0.00 H new ATOM 0 HB VAL A 7 -5.951 -0.491 -4.477 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -4.853 1.229 -5.867 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -4.713 1.587 -4.129 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -3.319 0.927 -5.017 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.982 -1.108 -6.663 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.455 -1.540 -5.857 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -4.937 -2.462 -5.509 1.00 0.00 H new ATOM 103 N VAL A 8 -4.959 -3.070 -2.274 1.00 0.00 N ATOM 104 CA VAL A 8 -4.980 -4.508 -2.074 1.00 0.00 C ATOM 105 C VAL A 8 -6.407 -5.025 -2.265 1.00 0.00 C ATOM 106 O VAL A 8 -7.282 -4.761 -1.441 1.00 0.00 O ATOM 107 CB VAL A 8 -4.397 -4.855 -0.703 1.00 0.00 C ATOM 108 CG1 VAL A 8 -4.353 -6.370 -0.492 1.00 0.00 C ATOM 109 CG2 VAL A 8 -3.010 -4.237 -0.525 1.00 0.00 C ATOM 0 H VAL A 8 -5.589 -2.546 -1.667 1.00 0.00 H new ATOM 0 HA VAL A 8 -4.353 -5.005 -2.814 1.00 0.00 H new ATOM 0 HB VAL A 8 -5.053 -4.430 0.056 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.934 -6.589 0.490 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -5.363 -6.776 -0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -3.730 -6.827 -1.261 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -2.618 -4.499 0.458 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -2.340 -4.618 -1.296 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -3.081 -3.153 -0.610 1.00 0.00 H new ATOM 119 N ASN A 9 -6.598 -5.753 -3.356 1.00 0.00 N ATOM 120 CA ASN A 9 -7.905 -6.309 -3.665 1.00 0.00 C ATOM 121 C ASN A 9 -7.744 -7.767 -4.101 1.00 0.00 C ATOM 122 O ASN A 9 -7.220 -8.043 -5.179 1.00 0.00 O ATOM 123 CB ASN A 9 -8.571 -5.545 -4.810 1.00 0.00 C ATOM 124 CG ASN A 9 -7.539 -4.757 -5.618 1.00 0.00 C ATOM 125 OD1 ASN A 9 -7.518 -3.537 -5.626 1.00 0.00 O ATOM 126 ND2 ASN A 9 -6.686 -5.520 -6.297 1.00 0.00 N ATOM 0 H ASN A 9 -5.870 -5.971 -4.036 1.00 0.00 H new ATOM 0 HA ASN A 9 -8.524 -6.232 -2.771 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -9.092 -6.244 -5.463 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -9.321 -4.864 -4.409 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.959 -5.089 -6.868 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -6.759 -6.536 -6.246 1.00 0.00 H new ATOM 132 N GLY A 10 -8.204 -8.662 -3.239 1.00 0.00 N ATOM 133 CA GLY A 10 -8.118 -10.085 -3.521 1.00 0.00 C ATOM 134 C GLY A 10 -7.252 -10.798 -2.481 1.00 0.00 C ATOM 135 O GLY A 10 -6.928 -11.975 -2.639 1.00 0.00 O ATOM 0 H GLY A 10 -8.637 -8.429 -2.345 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -9.118 -10.519 -3.527 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -7.698 -10.238 -4.515 1.00 0.00 H new ATOM 139 N ARG A 11 -6.901 -10.057 -1.441 1.00 0.00 N ATOM 140 CA ARG A 11 -6.078 -10.604 -0.375 1.00 0.00 C ATOM 141 C ARG A 11 -4.864 -11.329 -0.959 1.00 0.00 C ATOM 142 O ARG A 11 -4.682 -12.523 -0.733 1.00 0.00 O ATOM 143 CB ARG A 11 -6.878 -11.579 0.492 1.00 0.00 C ATOM 144 CG ARG A 11 -7.952 -10.845 1.296 1.00 0.00 C ATOM 145 CD ARG A 11 -7.758 -11.063 2.797 1.00 0.00 C ATOM 146 NE ARG A 11 -8.882 -11.856 3.344 1.00 0.00 N ATOM 147 CZ ARG A 11 -8.781 -12.674 4.413 1.00 0.00 C ATOM 148 NH1 ARG A 11 -7.605 -12.814 5.060 1.00 0.00 N ATOM 149 NH2 ARG A 11 -9.850 -13.335 4.816 1.00 0.00 N ATOM 0 H ARG A 11 -7.171 -9.082 -1.313 1.00 0.00 H new ATOM 0 HA ARG A 11 -5.744 -9.773 0.246 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -7.345 -12.334 -0.140 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -6.205 -12.103 1.171 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.914 -9.779 1.072 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -8.939 -11.198 0.998 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -6.816 -11.580 2.979 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -7.698 -10.102 3.308 1.00 0.00 H new ATOM 0 HE ARG A 11 -9.789 -11.780 2.884 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -6.784 -12.300 4.742 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -7.538 -13.434 5.867 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -10.735 -13.224 4.321 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -9.791 -13.957 5.622 1.00 0.00 H new ATOM 159 N GLU A 12 -4.066 -10.575 -1.701 1.00 0.00 N ATOM 160 CA GLU A 12 -2.874 -11.130 -2.320 1.00 0.00 C ATOM 161 C GLU A 12 -1.617 -10.565 -1.654 1.00 0.00 C ATOM 162 O GLU A 12 -1.649 -9.474 -1.086 1.00 0.00 O ATOM 163 CB GLU A 12 -2.864 -10.863 -3.826 1.00 0.00 C ATOM 164 CG GLU A 12 -3.226 -9.408 -4.128 1.00 0.00 C ATOM 165 CD GLU A 12 -4.743 -9.216 -4.168 1.00 0.00 C ATOM 166 OE1 GLU A 12 -5.387 -9.578 -5.165 1.00 0.00 O ATOM 167 OE2 GLU A 12 -5.253 -8.673 -3.116 1.00 0.00 O ATOM 0 H GLU A 12 -4.222 -9.584 -1.888 1.00 0.00 H new ATOM 0 HA GLU A 12 -2.883 -12.210 -2.176 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -1.878 -11.088 -4.232 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -3.572 -11.528 -4.321 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -2.794 -8.757 -3.368 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.793 -9.113 -5.084 1.00 0.00 H new ATOM 173 N ALA A 13 -0.542 -11.333 -1.747 1.00 0.00 N ATOM 174 CA ALA A 13 0.723 -10.922 -1.161 1.00 0.00 C ATOM 175 C ALA A 13 1.873 -11.557 -1.944 1.00 0.00 C ATOM 176 O ALA A 13 1.645 -12.350 -2.856 1.00 0.00 O ATOM 177 CB ALA A 13 0.747 -11.302 0.321 1.00 0.00 C ATOM 0 H ALA A 13 -0.520 -12.237 -2.219 1.00 0.00 H new ATOM 0 HA ALA A 13 0.840 -9.840 -1.222 1.00 0.00 H new ATOM 0 HB1 ALA A 13 1.696 -10.994 0.760 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -0.072 -10.802 0.838 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.634 -12.381 0.422 1.00 0.00 H new ATOM 183 N GLY A 14 3.085 -11.185 -1.560 1.00 0.00 N ATOM 184 CA GLY A 14 4.272 -11.709 -2.215 1.00 0.00 C ATOM 185 C GLY A 14 5.389 -10.664 -2.243 1.00 0.00 C ATOM 186 O GLY A 14 5.941 -10.368 -3.300 1.00 0.00 O ATOM 0 H GLY A 14 3.271 -10.527 -0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.617 -12.601 -1.692 1.00 0.00 H new ATOM 0 HA3 GLY A 14 4.026 -12.011 -3.233 1.00 0.00 H new ATOM 190 N SER A 15 5.690 -10.134 -1.065 1.00 0.00 N ATOM 191 CA SER A 15 6.731 -9.129 -0.941 1.00 0.00 C ATOM 192 C SER A 15 7.289 -9.127 0.484 1.00 0.00 C ATOM 193 O SER A 15 6.714 -9.743 1.380 1.00 0.00 O ATOM 194 CB SER A 15 6.203 -7.740 -1.305 1.00 0.00 C ATOM 195 OG SER A 15 4.841 -7.569 -0.922 1.00 0.00 O ATOM 0 H SER A 15 5.231 -10.382 -0.189 1.00 0.00 H new ATOM 0 HA SER A 15 7.531 -9.378 -1.638 1.00 0.00 H new ATOM 0 HB2 SER A 15 6.815 -6.981 -0.818 1.00 0.00 H new ATOM 0 HB3 SER A 15 6.299 -7.586 -2.380 1.00 0.00 H new ATOM 0 HG SER A 15 4.542 -6.669 -1.170 1.00 0.00 H new ATOM 200 N LYS A 16 8.404 -8.429 0.647 1.00 0.00 N ATOM 201 CA LYS A 16 9.046 -8.340 1.948 1.00 0.00 C ATOM 202 C LYS A 16 8.377 -7.233 2.767 1.00 0.00 C ATOM 203 O LYS A 16 8.837 -6.899 3.858 1.00 0.00 O ATOM 204 CB LYS A 16 10.556 -8.158 1.788 1.00 0.00 C ATOM 205 CG LYS A 16 10.881 -6.824 1.112 1.00 0.00 C ATOM 206 CD LYS A 16 11.815 -7.029 -0.083 1.00 0.00 C ATOM 207 CE LYS A 16 13.281 -7.000 0.358 1.00 0.00 C ATOM 208 NZ LYS A 16 14.084 -7.938 -0.458 1.00 0.00 N ATOM 0 H LYS A 16 8.879 -7.921 -0.099 1.00 0.00 H new ATOM 0 HA LYS A 16 8.917 -9.270 2.502 1.00 0.00 H new ATOM 0 HB2 LYS A 16 11.036 -8.200 2.766 1.00 0.00 H new ATOM 0 HB3 LYS A 16 10.964 -8.978 1.197 1.00 0.00 H new ATOM 0 HG2 LYS A 16 9.959 -6.346 0.780 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.347 -6.151 1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 16 11.594 -7.982 -0.563 1.00 0.00 H new ATOM 0 HD3 LYS A 16 11.639 -6.250 -0.825 1.00 0.00 H new ATOM 0 HE2 LYS A 16 13.678 -5.990 0.258 1.00 0.00 H new ATOM 0 HE3 LYS A 16 13.356 -7.269 1.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 15.076 -7.907 -0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.715 -8.903 -0.342 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.026 -7.664 -1.460 1.00 0.00 H new ATOM 217 N SER A 17 7.301 -6.696 2.210 1.00 0.00 N ATOM 218 CA SER A 17 6.565 -5.635 2.876 1.00 0.00 C ATOM 219 C SER A 17 5.918 -6.169 4.155 1.00 0.00 C ATOM 220 O SER A 17 5.439 -5.395 4.982 1.00 0.00 O ATOM 221 CB SER A 17 5.501 -5.039 1.951 1.00 0.00 C ATOM 222 OG SER A 17 4.368 -5.895 1.821 1.00 0.00 O ATOM 0 H SER A 17 6.922 -6.976 1.305 1.00 0.00 H new ATOM 0 HA SER A 17 7.267 -4.843 3.136 1.00 0.00 H new ATOM 0 HB2 SER A 17 5.182 -4.072 2.340 1.00 0.00 H new ATOM 0 HB3 SER A 17 5.935 -4.859 0.967 1.00 0.00 H new ATOM 0 HG SER A 17 4.461 -6.440 1.012 1.00 0.00 H new ATOM 227 N LYS A 18 5.926 -7.489 4.277 1.00 0.00 N ATOM 228 CA LYS A 18 5.345 -8.135 5.441 1.00 0.00 C ATOM 229 C LYS A 18 6.202 -7.828 6.670 1.00 0.00 C ATOM 230 O LYS A 18 5.802 -8.111 7.799 1.00 0.00 O ATOM 231 CB LYS A 18 5.154 -9.631 5.184 1.00 0.00 C ATOM 232 CG LYS A 18 3.804 -9.904 4.516 1.00 0.00 C ATOM 233 CD LYS A 18 3.794 -11.277 3.841 1.00 0.00 C ATOM 234 CE LYS A 18 4.261 -11.177 2.388 1.00 0.00 C ATOM 235 NZ LYS A 18 3.536 -12.151 1.543 1.00 0.00 N ATOM 0 H LYS A 18 6.325 -8.128 3.589 1.00 0.00 H new ATOM 0 HA LYS A 18 4.349 -7.739 5.639 1.00 0.00 H new ATOM 0 HB2 LYS A 18 5.959 -10.000 4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 18 5.215 -10.176 6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 18 3.009 -9.855 5.260 1.00 0.00 H new ATOM 0 HG3 LYS A 18 3.597 -9.130 3.777 1.00 0.00 H new ATOM 0 HD2 LYS A 18 4.443 -11.960 4.389 1.00 0.00 H new ATOM 0 HD3 LYS A 18 2.788 -11.696 3.875 1.00 0.00 H new ATOM 0 HE2 LYS A 18 4.093 -10.167 2.015 1.00 0.00 H new ATOM 0 HE3 LYS A 18 5.333 -11.364 2.331 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.496 -11.800 0.565 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 4.032 -13.065 1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.570 -12.274 1.907 1.00 0.00 H new ATOM 244 N GLY A 19 7.368 -7.251 6.411 1.00 0.00 N ATOM 245 CA GLY A 19 8.285 -6.902 7.482 1.00 0.00 C ATOM 246 C GLY A 19 7.876 -5.587 8.147 1.00 0.00 C ATOM 247 O GLY A 19 6.694 -5.351 8.389 1.00 0.00 O ATOM 0 H GLY A 19 7.698 -7.017 5.474 1.00 0.00 H new ATOM 0 HA2 GLY A 19 8.302 -7.699 8.225 1.00 0.00 H new ATOM 0 HA3 GLY A 19 9.296 -6.814 7.085 1.00 0.00 H new ATOM 251 N CYS A 20 8.877 -4.764 8.424 1.00 0.00 N ATOM 252 CA CYS A 20 8.637 -3.478 9.056 1.00 0.00 C ATOM 253 C CYS A 20 8.845 -2.381 8.010 1.00 0.00 C ATOM 254 O CYS A 20 9.291 -2.657 6.898 1.00 0.00 O ATOM 255 CB CYS A 20 9.530 -3.275 10.282 1.00 0.00 C ATOM 256 SG CYS A 20 8.821 -4.147 11.725 1.00 0.00 S ATOM 0 H CYS A 20 9.857 -4.963 8.222 1.00 0.00 H new ATOM 0 HA CYS A 20 7.612 -3.437 9.424 1.00 0.00 H new ATOM 0 HB2 CYS A 20 10.533 -3.650 10.077 1.00 0.00 H new ATOM 0 HB3 CYS A 20 9.625 -2.211 10.500 1.00 0.00 H new ATOM 0 HG CYS A 20 8.012 -5.079 11.315 1.00 0.00 H new ATOM 261 N ALA A 21 8.512 -1.161 8.404 1.00 0.00 N ATOM 262 CA ALA A 21 8.656 -0.022 7.515 1.00 0.00 C ATOM 263 C ALA A 21 10.144 0.258 7.288 1.00 0.00 C ATOM 264 O ALA A 21 10.577 0.456 6.154 1.00 0.00 O ATOM 265 CB ALA A 21 7.920 1.183 8.103 1.00 0.00 C ATOM 0 H ALA A 21 8.143 -0.937 9.328 1.00 0.00 H new ATOM 0 HA ALA A 21 8.208 -0.235 6.544 1.00 0.00 H new ATOM 0 HB1 ALA A 21 8.029 2.037 7.435 1.00 0.00 H new ATOM 0 HB2 ALA A 21 6.863 0.944 8.217 1.00 0.00 H new ATOM 0 HB3 ALA A 21 8.343 1.428 9.077 1.00 0.00 H new ATOM 271 N LEU A 22 10.885 0.265 8.386 1.00 0.00 N ATOM 272 CA LEU A 22 12.315 0.517 8.322 1.00 0.00 C ATOM 273 C LEU A 22 13.011 -0.682 7.674 1.00 0.00 C ATOM 274 O LEU A 22 13.660 -0.542 6.638 1.00 0.00 O ATOM 275 CB LEU A 22 12.860 0.869 9.707 1.00 0.00 C ATOM 276 CG LEU A 22 12.634 2.310 10.170 1.00 0.00 C ATOM 277 CD1 LEU A 22 12.968 3.303 9.055 1.00 0.00 C ATOM 278 CD2 LEU A 22 11.211 2.500 10.698 1.00 0.00 C ATOM 0 H LEU A 22 10.522 0.100 9.325 1.00 0.00 H new ATOM 0 HA LEU A 22 12.521 1.384 7.694 1.00 0.00 H new ATOM 0 HB2 LEU A 22 12.405 0.198 10.436 1.00 0.00 H new ATOM 0 HB3 LEU A 22 13.932 0.669 9.716 1.00 0.00 H new ATOM 0 HG LEU A 22 13.314 2.513 10.997 1.00 0.00 H new ATOM 0 HD11 LEU A 22 12.799 4.319 9.410 1.00 0.00 H new ATOM 0 HD12 LEU A 22 14.013 3.189 8.767 1.00 0.00 H new ATOM 0 HD13 LEU A 22 12.331 3.109 8.192 1.00 0.00 H new ATOM 0 HD21 LEU A 22 11.077 3.533 11.020 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.496 2.271 9.908 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.044 1.832 11.543 1.00 0.00 H new ATOM 289 N CYS A 23 12.852 -1.832 8.311 1.00 0.00 N ATOM 290 CA CYS A 23 13.458 -3.055 7.810 1.00 0.00 C ATOM 291 C CYS A 23 12.337 -4.011 7.396 1.00 0.00 C ATOM 292 O CYS A 23 11.351 -4.165 8.114 1.00 0.00 O ATOM 293 CB CYS A 23 14.395 -3.686 8.841 1.00 0.00 C ATOM 294 SG CYS A 23 16.074 -2.974 8.681 1.00 0.00 S ATOM 0 H CYS A 23 12.313 -1.944 9.169 1.00 0.00 H new ATOM 0 HA CYS A 23 14.079 -2.828 6.944 1.00 0.00 H new ATOM 0 HB2 CYS A 23 14.012 -3.513 9.847 1.00 0.00 H new ATOM 0 HB3 CYS A 23 14.434 -4.766 8.696 1.00 0.00 H new ATOM 0 HG CYS A 23 16.861 -3.515 9.563 1.00 0.00 H new ATOM 299 N GLY A 24 12.527 -4.628 6.239 1.00 0.00 N ATOM 300 CA GLY A 24 11.545 -5.566 5.721 1.00 0.00 C ATOM 301 C GLY A 24 12.151 -6.960 5.555 1.00 0.00 C ATOM 302 O GLY A 24 12.226 -7.480 4.442 1.00 0.00 O ATOM 0 H GLY A 24 13.346 -4.497 5.646 1.00 0.00 H new ATOM 0 HA2 GLY A 24 10.692 -5.615 6.398 1.00 0.00 H new ATOM 0 HA3 GLY A 24 11.170 -5.212 4.761 1.00 0.00 H new ATOM 306 N ALA A 25 12.569 -7.526 6.678 1.00 0.00 N ATOM 307 CA ALA A 25 13.167 -8.851 6.671 1.00 0.00 C ATOM 308 C ALA A 25 12.205 -9.843 7.330 1.00 0.00 C ATOM 309 O ALA A 25 12.339 -11.053 7.152 1.00 0.00 O ATOM 310 CB ALA A 25 14.525 -8.801 7.372 1.00 0.00 C ATOM 0 H ALA A 25 12.505 -7.092 7.599 1.00 0.00 H new ATOM 0 HA ALA A 25 13.340 -9.190 5.650 1.00 0.00 H new ATOM 0 HB1 ALA A 25 14.974 -9.794 7.367 1.00 0.00 H new ATOM 0 HB2 ALA A 25 15.180 -8.104 6.848 1.00 0.00 H new ATOM 0 HB3 ALA A 25 14.391 -8.469 8.401 1.00 0.00 H new ATOM 316 N THR A 26 11.260 -9.293 8.077 1.00 0.00 N ATOM 317 CA THR A 26 10.277 -10.115 8.764 1.00 0.00 C ATOM 318 C THR A 26 9.043 -10.320 7.882 1.00 0.00 C ATOM 319 O THR A 26 8.739 -9.485 7.031 1.00 0.00 O ATOM 320 CB THR A 26 9.962 -9.453 10.106 1.00 0.00 C ATOM 321 OG1 THR A 26 11.222 -9.401 10.772 1.00 0.00 O ATOM 322 CG2 THR A 26 9.101 -10.339 11.008 1.00 0.00 C ATOM 0 H THR A 26 11.153 -8.289 8.222 1.00 0.00 H new ATOM 0 HA THR A 26 10.665 -11.114 8.962 1.00 0.00 H new ATOM 0 HB THR A 26 9.451 -8.506 9.932 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.110 -8.984 11.652 1.00 0.00 H new ATOM 0 HG21 THR A 26 8.907 -9.822 11.948 1.00 0.00 H new ATOM 0 HG22 THR A 26 8.156 -10.555 10.510 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.626 -11.272 11.210 1.00 0.00 H new ATOM 330 N TRP A 27 8.366 -11.433 8.117 1.00 0.00 N ATOM 331 CA TRP A 27 7.172 -11.758 7.355 1.00 0.00 C ATOM 332 C TRP A 27 6.029 -11.991 8.345 1.00 0.00 C ATOM 333 O TRP A 27 6.251 -12.049 9.553 1.00 0.00 O ATOM 334 CB TRP A 27 7.417 -12.953 6.433 1.00 0.00 C ATOM 335 CG TRP A 27 7.038 -14.302 7.048 1.00 0.00 C ATOM 336 CD1 TRP A 27 7.162 -14.690 8.324 1.00 0.00 C ATOM 337 CD2 TRP A 27 6.463 -15.431 6.357 1.00 0.00 C ATOM 338 NE1 TRP A 27 6.712 -15.982 8.506 1.00 0.00 N ATOM 339 CE2 TRP A 27 6.273 -16.447 7.271 1.00 0.00 C ATOM 340 CE3 TRP A 27 6.116 -15.589 5.004 1.00 0.00 C ATOM 341 CZ2 TRP A 27 5.731 -17.692 6.932 1.00 0.00 C ATOM 342 CZ3 TRP A 27 5.575 -16.839 4.680 1.00 0.00 C ATOM 343 CH2 TRP A 27 5.376 -17.872 5.589 1.00 0.00 C ATOM 0 H TRP A 27 8.621 -12.122 8.825 1.00 0.00 H new ATOM 0 HA TRP A 27 6.900 -10.934 6.695 1.00 0.00 H new ATOM 0 HB2 TRP A 27 6.849 -12.812 5.514 1.00 0.00 H new ATOM 0 HB3 TRP A 27 8.471 -12.975 6.156 1.00 0.00 H new ATOM 0 HD1 TRP A 27 7.564 -14.070 9.112 1.00 0.00 H new ATOM 0 HE1 TRP A 27 6.703 -16.500 9.384 1.00 0.00 H new ATOM 0 HE3 TRP A 27 6.256 -14.807 4.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 27 5.594 -18.472 7.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 27 5.293 -17.013 3.652 1.00 0.00 H new ATOM 0 HH2 TRP A 27 4.950 -18.809 5.261 1.00 0.00 H new ATOM 353 N GLY A 28 4.829 -12.117 7.795 1.00 0.00 N ATOM 354 CA GLY A 28 3.651 -12.343 8.615 1.00 0.00 C ATOM 355 C GLY A 28 2.382 -12.348 7.760 1.00 0.00 C ATOM 356 O GLY A 28 2.267 -11.576 6.809 1.00 0.00 O ATOM 0 H GLY A 28 4.648 -12.067 6.792 1.00 0.00 H new ATOM 0 HA2 GLY A 28 3.745 -13.294 9.139 1.00 0.00 H new ATOM 0 HA3 GLY A 28 3.578 -11.566 9.376 1.00 0.00 H new ATOM 360 N ASP A 29 1.461 -13.226 8.130 1.00 0.00 N ATOM 361 CA ASP A 29 0.204 -13.342 7.409 1.00 0.00 C ATOM 362 C ASP A 29 -0.931 -12.807 8.284 1.00 0.00 C ATOM 363 O ASP A 29 -1.785 -12.060 7.810 1.00 0.00 O ATOM 364 CB ASP A 29 -0.104 -14.801 7.072 1.00 0.00 C ATOM 365 CG ASP A 29 1.062 -15.588 6.471 1.00 0.00 C ATOM 366 OD1 ASP A 29 1.674 -16.433 7.140 1.00 0.00 O ATOM 367 OD2 ASP A 29 1.341 -15.298 5.245 1.00 0.00 O ATOM 0 H ASP A 29 1.560 -13.864 8.920 1.00 0.00 H new ATOM 0 HA ASP A 29 0.290 -12.770 6.485 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -0.433 -15.306 7.980 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -0.939 -14.828 6.372 1.00 0.00 H new ATOM 372 N TYR A 30 -0.904 -13.213 9.545 1.00 0.00 N ATOM 373 CA TYR A 30 -1.921 -12.784 10.491 1.00 0.00 C ATOM 374 C TYR A 30 -1.718 -11.321 10.889 1.00 0.00 C ATOM 375 O TYR A 30 -2.483 -10.778 11.684 1.00 0.00 O ATOM 376 CB TYR A 30 -1.746 -13.667 11.727 1.00 0.00 C ATOM 377 CG TYR A 30 -1.751 -15.167 11.427 1.00 0.00 C ATOM 378 CD1 TYR A 30 -2.827 -15.737 10.778 1.00 0.00 C ATOM 379 CD2 TYR A 30 -0.680 -15.950 11.806 1.00 0.00 C ATOM 380 CE1 TYR A 30 -2.832 -17.149 10.494 1.00 0.00 C ATOM 381 CE2 TYR A 30 -0.685 -17.363 11.524 1.00 0.00 C ATOM 382 CZ TYR A 30 -1.761 -17.893 10.882 1.00 0.00 C ATOM 383 OH TYR A 30 -1.765 -19.225 10.615 1.00 0.00 O ATOM 0 H TYR A 30 -0.194 -13.834 9.934 1.00 0.00 H new ATOM 0 HA TYR A 30 -2.915 -12.872 10.052 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -0.807 -13.408 12.216 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -2.545 -13.446 12.435 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -3.666 -15.124 10.483 1.00 0.00 H new ATOM 0 HD2 TYR A 30 0.162 -15.504 12.314 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -3.667 -17.607 9.985 1.00 0.00 H new ATOM 0 HE2 TYR A 30 0.147 -17.987 11.816 1.00 0.00 H new ATOM 0 HH TYR A 30 -0.936 -19.628 10.948 1.00 0.00 H new ATOM 392 N HIS A 31 -0.681 -10.724 10.319 1.00 0.00 N ATOM 393 CA HIS A 31 -0.367 -9.335 10.605 1.00 0.00 C ATOM 394 C HIS A 31 -1.097 -8.428 9.613 1.00 0.00 C ATOM 395 O HIS A 31 -1.311 -8.807 8.462 1.00 0.00 O ATOM 396 CB HIS A 31 1.146 -9.110 10.610 1.00 0.00 C ATOM 397 CG HIS A 31 1.902 -10.039 11.531 1.00 0.00 C ATOM 398 ND1 HIS A 31 2.853 -9.592 12.431 1.00 0.00 N ATOM 399 CD2 HIS A 31 1.836 -11.393 11.680 1.00 0.00 C ATOM 400 CE1 HIS A 31 3.332 -10.639 13.088 1.00 0.00 C ATOM 401 NE2 HIS A 31 2.701 -11.754 12.621 1.00 0.00 N ATOM 0 H HIS A 31 -0.048 -11.177 9.660 1.00 0.00 H new ATOM 0 HA HIS A 31 -0.718 -9.078 11.605 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.525 -9.233 9.595 1.00 0.00 H new ATOM 0 HB3 HIS A 31 1.349 -8.080 10.903 1.00 0.00 H new ATOM 0 HD2 HIS A 31 1.190 -12.059 11.127 1.00 0.00 H new ATOM 0 HE1 HIS A 31 4.089 -10.613 13.858 1.00 0.00 H new ATOM 0 HE2 HIS A 31 2.866 -12.708 12.942 1.00 0.00 H new ATOM 408 N ALA A 32 -1.459 -7.248 10.093 1.00 0.00 N ATOM 409 CA ALA A 32 -2.161 -6.285 9.262 1.00 0.00 C ATOM 410 C ALA A 32 -1.142 -5.390 8.555 1.00 0.00 C ATOM 411 O ALA A 32 -0.259 -4.822 9.195 1.00 0.00 O ATOM 412 CB ALA A 32 -3.141 -5.486 10.124 1.00 0.00 C ATOM 0 H ALA A 32 -1.279 -6.937 11.048 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.743 -6.793 8.493 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -3.668 -4.763 9.501 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -3.861 -6.165 10.580 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -2.593 -4.960 10.905 1.00 0.00 H new ATOM 418 N ASP A 33 -1.298 -5.293 7.243 1.00 0.00 N ATOM 419 CA ASP A 33 -0.403 -4.477 6.441 1.00 0.00 C ATOM 420 C ASP A 33 -0.955 -3.052 6.356 1.00 0.00 C ATOM 421 O ASP A 33 -2.163 -2.844 6.456 1.00 0.00 O ATOM 422 CB ASP A 33 -0.285 -5.023 5.017 1.00 0.00 C ATOM 423 CG ASP A 33 0.152 -6.486 4.920 1.00 0.00 C ATOM 424 OD1 ASP A 33 -0.226 -7.323 5.753 1.00 0.00 O ATOM 425 OD2 ASP A 33 0.925 -6.758 3.923 1.00 0.00 O ATOM 0 H ASP A 33 -2.031 -5.766 6.715 1.00 0.00 H new ATOM 0 HA ASP A 33 0.579 -4.490 6.915 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -1.249 -4.914 4.521 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.428 -4.409 4.466 1.00 0.00 H new ATOM 430 N PHE A 34 -0.043 -2.108 6.175 1.00 0.00 N ATOM 431 CA PHE A 34 -0.425 -0.710 6.076 1.00 0.00 C ATOM 432 C PHE A 34 -0.119 -0.155 4.684 1.00 0.00 C ATOM 433 O PHE A 34 0.400 -0.869 3.826 1.00 0.00 O ATOM 434 CB PHE A 34 0.406 0.054 7.110 1.00 0.00 C ATOM 435 CG PHE A 34 0.012 -0.233 8.560 1.00 0.00 C ATOM 436 CD1 PHE A 34 -1.065 -1.020 8.829 1.00 0.00 C ATOM 437 CD2 PHE A 34 0.737 0.299 9.580 1.00 0.00 C ATOM 438 CE1 PHE A 34 -1.430 -1.286 10.175 1.00 0.00 C ATOM 439 CE2 PHE A 34 0.372 0.032 10.926 1.00 0.00 C ATOM 440 CZ PHE A 34 -0.704 -0.755 11.195 1.00 0.00 C ATOM 0 H PHE A 34 0.958 -2.284 6.094 1.00 0.00 H new ATOM 0 HA PHE A 34 -1.495 -0.603 6.253 1.00 0.00 H new ATOM 0 HB2 PHE A 34 1.458 -0.198 6.973 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.307 1.123 6.922 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -1.642 -1.442 8.019 1.00 0.00 H new ATOM 0 HD2 PHE A 34 1.591 0.925 9.366 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -2.285 -1.910 10.389 1.00 0.00 H new ATOM 0 HE2 PHE A 34 0.949 0.454 11.736 1.00 0.00 H new ATOM 0 HZ PHE A 34 -0.982 -0.958 12.219 1.00 0.00 H new ATOM 449 N LEU A 35 -0.453 1.114 4.500 1.00 0.00 N ATOM 450 CA LEU A 35 -0.221 1.773 3.226 1.00 0.00 C ATOM 451 C LEU A 35 1.285 1.896 2.988 1.00 0.00 C ATOM 452 O LEU A 35 1.741 1.880 1.845 1.00 0.00 O ATOM 453 CB LEU A 35 -0.964 3.109 3.171 1.00 0.00 C ATOM 454 CG LEU A 35 -2.484 3.039 3.333 1.00 0.00 C ATOM 455 CD1 LEU A 35 -3.170 4.180 2.580 1.00 0.00 C ATOM 456 CD2 LEU A 35 -3.018 1.669 2.908 1.00 0.00 C ATOM 0 H LEU A 35 -0.883 1.704 5.213 1.00 0.00 H new ATOM 0 HA LEU A 35 -0.626 1.176 2.409 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -0.565 3.756 3.952 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -0.742 3.586 2.217 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.720 3.164 4.390 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.249 4.106 2.712 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -2.821 5.136 2.971 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -2.929 4.113 1.519 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -4.101 1.646 3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.770 1.490 1.862 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.565 0.894 3.526 1.00 0.00 H new ATOM 467 N GLY A 36 2.018 2.018 4.085 1.00 0.00 N ATOM 468 CA GLY A 36 3.464 2.144 4.010 1.00 0.00 C ATOM 469 C GLY A 36 4.104 0.839 3.535 1.00 0.00 C ATOM 470 O GLY A 36 5.302 0.796 3.256 1.00 0.00 O ATOM 0 H GLY A 36 1.637 2.032 5.031 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.727 2.952 3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 36 3.861 2.412 4.989 1.00 0.00 H new ATOM 474 N GLU A 37 3.278 -0.195 3.457 1.00 0.00 N ATOM 475 CA GLU A 37 3.750 -1.498 3.020 1.00 0.00 C ATOM 476 C GLU A 37 4.640 -2.127 4.093 1.00 0.00 C ATOM 477 O GLU A 37 5.742 -2.588 3.799 1.00 0.00 O ATOM 478 CB GLU A 37 4.488 -1.395 1.685 1.00 0.00 C ATOM 479 CG GLU A 37 3.868 -2.326 0.641 1.00 0.00 C ATOM 480 CD GLU A 37 4.771 -2.449 -0.588 1.00 0.00 C ATOM 481 OE1 GLU A 37 4.280 -2.734 -1.690 1.00 0.00 O ATOM 482 OE2 GLU A 37 6.024 -2.239 -0.367 1.00 0.00 O ATOM 0 H GLU A 37 2.285 -0.156 3.689 1.00 0.00 H new ATOM 0 HA GLU A 37 2.885 -2.144 2.869 1.00 0.00 H new ATOM 0 HB2 GLU A 37 4.454 -0.367 1.326 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.539 -1.649 1.826 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.706 -3.311 1.078 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.891 -1.945 0.343 1.00 0.00 H new ATOM 488 N ASP A 38 4.130 -2.126 5.316 1.00 0.00 N ATOM 489 CA ASP A 38 4.866 -2.691 6.435 1.00 0.00 C ATOM 490 C ASP A 38 3.877 -3.236 7.468 1.00 0.00 C ATOM 491 O ASP A 38 2.711 -2.843 7.484 1.00 0.00 O ATOM 492 CB ASP A 38 5.727 -1.628 7.120 1.00 0.00 C ATOM 493 CG ASP A 38 4.947 -0.565 7.894 1.00 0.00 C ATOM 494 OD1 ASP A 38 4.168 -0.880 8.806 1.00 0.00 O ATOM 495 OD2 ASP A 38 5.167 0.651 7.523 1.00 0.00 O ATOM 0 H ASP A 38 3.216 -1.743 5.557 1.00 0.00 H new ATOM 0 HA ASP A 38 5.508 -3.483 6.051 1.00 0.00 H new ATOM 0 HB2 ASP A 38 6.413 -2.125 7.806 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.335 -1.132 6.364 1.00 0.00 H new ATOM 500 N LEU A 39 4.378 -4.134 8.303 1.00 0.00 N ATOM 501 CA LEU A 39 3.552 -4.738 9.336 1.00 0.00 C ATOM 502 C LEU A 39 4.014 -4.239 10.706 1.00 0.00 C ATOM 503 O LEU A 39 5.188 -4.363 11.053 1.00 0.00 O ATOM 504 CB LEU A 39 3.556 -6.262 9.202 1.00 0.00 C ATOM 505 CG LEU A 39 2.802 -6.831 7.998 1.00 0.00 C ATOM 506 CD1 LEU A 39 1.303 -6.934 8.288 1.00 0.00 C ATOM 507 CD2 LEU A 39 3.087 -6.014 6.737 1.00 0.00 C ATOM 0 H LEU A 39 5.345 -4.458 8.286 1.00 0.00 H new ATOM 0 HA LEU A 39 2.512 -4.435 9.220 1.00 0.00 H new ATOM 0 HB2 LEU A 39 4.591 -6.600 9.150 1.00 0.00 H new ATOM 0 HB3 LEU A 39 3.127 -6.688 10.109 1.00 0.00 H new ATOM 0 HG LEU A 39 3.164 -7.843 7.815 1.00 0.00 H new ATOM 0 HD11 LEU A 39 0.791 -7.341 7.416 1.00 0.00 H new ATOM 0 HD12 LEU A 39 1.142 -7.591 9.143 1.00 0.00 H new ATOM 0 HD13 LEU A 39 0.907 -5.944 8.512 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.539 -6.439 5.896 1.00 0.00 H new ATOM 0 HD22 LEU A 39 2.770 -4.983 6.892 1.00 0.00 H new ATOM 0 HD23 LEU A 39 4.155 -6.037 6.523 1.00 0.00 H new ATOM 518 N PHE A 40 3.066 -3.686 11.450 1.00 0.00 N ATOM 519 CA PHE A 40 3.362 -3.168 12.775 1.00 0.00 C ATOM 520 C PHE A 40 2.881 -4.135 13.860 1.00 0.00 C ATOM 521 O PHE A 40 2.730 -3.748 15.018 1.00 0.00 O ATOM 522 CB PHE A 40 2.606 -1.845 12.917 1.00 0.00 C ATOM 523 CG PHE A 40 1.304 -1.955 13.710 1.00 0.00 C ATOM 524 CD1 PHE A 40 0.265 -2.682 13.218 1.00 0.00 C ATOM 525 CD2 PHE A 40 1.183 -1.323 14.910 1.00 0.00 C ATOM 526 CE1 PHE A 40 -0.944 -2.784 13.956 1.00 0.00 C ATOM 527 CE2 PHE A 40 -0.026 -1.424 15.647 1.00 0.00 C ATOM 528 CZ PHE A 40 -1.064 -2.153 15.154 1.00 0.00 C ATOM 0 H PHE A 40 2.093 -3.586 11.160 1.00 0.00 H new ATOM 0 HA PHE A 40 4.438 -3.037 12.892 1.00 0.00 H new ATOM 0 HB2 PHE A 40 3.256 -1.118 13.404 1.00 0.00 H new ATOM 0 HB3 PHE A 40 2.382 -1.458 11.923 1.00 0.00 H new ATOM 0 HD1 PHE A 40 0.360 -3.182 12.265 1.00 0.00 H new ATOM 0 HD2 PHE A 40 2.007 -0.745 15.301 1.00 0.00 H new ATOM 0 HE1 PHE A 40 -1.768 -3.363 13.565 1.00 0.00 H new ATOM 0 HE2 PHE A 40 -0.122 -0.922 16.599 1.00 0.00 H new ATOM 0 HZ PHE A 40 -1.984 -2.230 15.715 1.00 0.00 H new ATOM 537 N PHE A 41 2.654 -5.373 13.447 1.00 0.00 N ATOM 538 CA PHE A 41 2.195 -6.398 14.369 1.00 0.00 C ATOM 539 C PHE A 41 3.290 -7.433 14.630 1.00 0.00 C ATOM 540 O PHE A 41 3.088 -8.379 15.388 1.00 0.00 O ATOM 541 CB PHE A 41 1.001 -7.091 13.709 1.00 0.00 C ATOM 542 CG PHE A 41 0.204 -7.991 14.653 1.00 0.00 C ATOM 543 CD1 PHE A 41 -0.189 -7.524 15.869 1.00 0.00 C ATOM 544 CD2 PHE A 41 -0.113 -9.260 14.278 1.00 0.00 C ATOM 545 CE1 PHE A 41 -0.929 -8.359 16.746 1.00 0.00 C ATOM 546 CE2 PHE A 41 -0.854 -10.095 15.156 1.00 0.00 C ATOM 547 CZ PHE A 41 -1.246 -9.628 16.371 1.00 0.00 C ATOM 0 H PHE A 41 2.779 -5.690 12.486 1.00 0.00 H new ATOM 0 HA PHE A 41 1.927 -5.945 15.324 1.00 0.00 H new ATOM 0 HB2 PHE A 41 0.335 -6.332 13.299 1.00 0.00 H new ATOM 0 HB3 PHE A 41 1.359 -7.688 12.870 1.00 0.00 H new ATOM 0 HD1 PHE A 41 0.062 -6.517 16.167 1.00 0.00 H new ATOM 0 HD2 PHE A 41 0.199 -9.632 13.313 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -1.241 -7.987 17.711 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -1.106 -11.102 14.858 1.00 0.00 H new ATOM 0 HZ PHE A 41 -1.809 -10.264 17.038 1.00 0.00 H new ATOM 556 N CYS A 42 4.430 -7.217 13.987 1.00 0.00 N ATOM 557 CA CYS A 42 5.557 -8.120 14.140 1.00 0.00 C ATOM 558 C CYS A 42 6.511 -7.525 15.178 1.00 0.00 C ATOM 559 O CYS A 42 6.872 -8.191 16.148 1.00 0.00 O ATOM 560 CB CYS A 42 6.258 -8.380 12.805 1.00 0.00 C ATOM 561 SG CYS A 42 6.495 -6.804 11.904 1.00 0.00 S ATOM 0 H CYS A 42 4.596 -6.430 13.360 1.00 0.00 H new ATOM 0 HA CYS A 42 5.204 -9.091 14.486 1.00 0.00 H new ATOM 0 HB2 CYS A 42 7.222 -8.858 12.978 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.665 -9.068 12.202 1.00 0.00 H new ATOM 0 HG CYS A 42 5.338 -6.260 11.670 1.00 0.00 H new ATOM 566 N CYS A 43 6.891 -6.278 14.941 1.00 0.00 N ATOM 567 CA CYS A 43 7.795 -5.586 15.844 1.00 0.00 C ATOM 568 C CYS A 43 7.007 -4.493 16.568 1.00 0.00 C ATOM 569 O CYS A 43 7.016 -4.426 17.796 1.00 0.00 O ATOM 570 CB CYS A 43 9.009 -5.021 15.105 1.00 0.00 C ATOM 571 SG CYS A 43 10.006 -6.386 14.404 1.00 0.00 S ATOM 0 H CYS A 43 6.589 -5.729 14.136 1.00 0.00 H new ATOM 0 HA CYS A 43 8.193 -6.290 16.575 1.00 0.00 H new ATOM 0 HB2 CYS A 43 8.682 -4.353 14.309 1.00 0.00 H new ATOM 0 HB3 CYS A 43 9.618 -4.429 15.788 1.00 0.00 H new ATOM 0 HG CYS A 43 11.033 -5.895 13.777 1.00 0.00 H new ATOM 576 N ASP A 44 6.344 -3.662 15.776 1.00 0.00 N ATOM 577 CA ASP A 44 5.554 -2.575 16.326 1.00 0.00 C ATOM 578 C ASP A 44 6.446 -1.693 17.200 1.00 0.00 C ATOM 579 O ASP A 44 5.949 -0.883 17.982 1.00 0.00 O ATOM 580 CB ASP A 44 4.415 -3.108 17.198 1.00 0.00 C ATOM 581 CG ASP A 44 4.800 -3.416 18.647 1.00 0.00 C ATOM 582 OD1 ASP A 44 5.006 -4.580 19.019 1.00 0.00 O ATOM 583 OD2 ASP A 44 4.887 -2.385 19.418 1.00 0.00 O ATOM 0 H ASP A 44 6.338 -3.721 14.758 1.00 0.00 H new ATOM 0 HA ASP A 44 5.136 -2.008 15.494 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.606 -2.377 17.200 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.022 -4.016 16.741 1.00 0.00 H new ATOM 588 N ILE A 45 7.747 -1.879 17.040 1.00 0.00 N ATOM 589 CA ILE A 45 8.714 -1.110 17.805 1.00 0.00 C ATOM 590 C ILE A 45 9.326 -0.031 16.909 1.00 0.00 C ATOM 591 O ILE A 45 9.215 1.159 17.201 1.00 0.00 O ATOM 592 CB ILE A 45 9.749 -2.037 18.447 1.00 0.00 C ATOM 593 CG1 ILE A 45 9.571 -2.089 19.966 1.00 0.00 C ATOM 594 CG2 ILE A 45 11.170 -1.630 18.050 1.00 0.00 C ATOM 595 CD1 ILE A 45 9.831 -0.721 20.596 1.00 0.00 C ATOM 0 H ILE A 45 8.155 -2.552 16.391 1.00 0.00 H new ATOM 0 HA ILE A 45 8.223 -0.597 18.632 1.00 0.00 H new ATOM 0 HB ILE A 45 9.585 -3.046 18.069 1.00 0.00 H new ATOM 0 HG12 ILE A 45 8.560 -2.417 20.206 1.00 0.00 H new ATOM 0 HG13 ILE A 45 10.254 -2.825 20.391 1.00 0.00 H new ATOM 0 HG21 ILE A 45 11.886 -2.304 18.519 1.00 0.00 H new ATOM 0 HG22 ILE A 45 11.275 -1.686 16.967 1.00 0.00 H new ATOM 0 HG23 ILE A 45 11.362 -0.609 18.381 1.00 0.00 H new ATOM 0 HD11 ILE A 45 9.698 -0.786 21.676 1.00 0.00 H new ATOM 0 HD12 ILE A 45 10.851 -0.406 20.375 1.00 0.00 H new ATOM 0 HD13 ILE A 45 9.130 0.007 20.187 1.00 0.00 H new ATOM 606 N CYS A 46 9.958 -0.485 15.838 1.00 0.00 N ATOM 607 CA CYS A 46 10.587 0.426 14.898 1.00 0.00 C ATOM 608 C CYS A 46 9.615 0.671 13.742 1.00 0.00 C ATOM 609 O CYS A 46 9.843 1.549 12.910 1.00 0.00 O ATOM 610 CB CYS A 46 11.935 -0.109 14.407 1.00 0.00 C ATOM 611 SG CYS A 46 12.847 1.209 13.525 1.00 0.00 S ATOM 0 H CYS A 46 10.048 -1.473 15.600 1.00 0.00 H new ATOM 0 HA CYS A 46 10.805 1.372 15.395 1.00 0.00 H new ATOM 0 HB2 CYS A 46 12.523 -0.467 15.252 1.00 0.00 H new ATOM 0 HB3 CYS A 46 11.778 -0.960 13.744 1.00 0.00 H new ATOM 0 HG CYS A 46 13.990 0.746 13.114 1.00 0.00 H new ATOM 616 N ALA A 47 8.553 -0.121 13.726 1.00 0.00 N ATOM 617 CA ALA A 47 7.546 -0.002 12.686 1.00 0.00 C ATOM 618 C ALA A 47 6.352 0.787 13.226 1.00 0.00 C ATOM 619 O ALA A 47 6.268 1.051 14.425 1.00 0.00 O ATOM 620 CB ALA A 47 7.149 -1.396 12.196 1.00 0.00 C ATOM 0 H ALA A 47 8.368 -0.848 14.417 1.00 0.00 H new ATOM 0 HA ALA A 47 7.943 0.544 11.830 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.393 -1.306 11.416 1.00 0.00 H new ATOM 0 HB2 ALA A 47 8.026 -1.904 11.795 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.744 -1.973 13.028 1.00 0.00 H new ATOM 626 N ALA A 48 5.458 1.144 12.316 1.00 0.00 N ATOM 627 CA ALA A 48 4.272 1.897 12.687 1.00 0.00 C ATOM 628 C ALA A 48 4.642 3.373 12.854 1.00 0.00 C ATOM 629 O ALA A 48 4.554 3.917 13.954 1.00 0.00 O ATOM 630 CB ALA A 48 3.664 1.301 13.957 1.00 0.00 C ATOM 0 H ALA A 48 5.531 0.926 11.322 1.00 0.00 H new ATOM 0 HA ALA A 48 3.517 1.833 11.904 1.00 0.00 H new ATOM 0 HB1 ALA A 48 2.774 1.866 14.235 1.00 0.00 H new ATOM 0 HB2 ALA A 48 3.391 0.261 13.777 1.00 0.00 H new ATOM 0 HB3 ALA A 48 4.392 1.350 14.767 1.00 0.00 H new ATOM 636 N GLU A 49 5.050 3.977 11.748 1.00 0.00 N ATOM 637 CA GLU A 49 5.435 5.378 11.760 1.00 0.00 C ATOM 638 C GLU A 49 4.206 6.267 11.554 1.00 0.00 C ATOM 639 O GLU A 49 3.273 5.888 10.849 1.00 0.00 O ATOM 640 CB GLU A 49 6.501 5.662 10.700 1.00 0.00 C ATOM 641 CG GLU A 49 7.281 6.936 11.034 1.00 0.00 C ATOM 642 CD GLU A 49 8.748 6.804 10.622 1.00 0.00 C ATOM 643 OE1 GLU A 49 9.644 6.936 11.470 1.00 0.00 O ATOM 644 OE2 GLU A 49 8.943 6.554 9.372 1.00 0.00 O ATOM 0 H GLU A 49 5.122 3.522 10.838 1.00 0.00 H new ATOM 0 HA GLU A 49 5.867 5.608 12.734 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.187 4.818 10.634 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.029 5.766 9.723 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.831 7.787 10.523 1.00 0.00 H new ATOM 0 HG3 GLU A 49 7.216 7.136 12.103 1.00 0.00 H new ATOM 650 N PHE A 50 4.248 7.433 12.182 1.00 0.00 N ATOM 651 CA PHE A 50 3.150 8.379 12.076 1.00 0.00 C ATOM 652 C PHE A 50 3.164 9.086 10.720 1.00 0.00 C ATOM 653 O PHE A 50 2.308 9.926 10.445 1.00 0.00 O ATOM 654 CB PHE A 50 3.347 9.418 13.182 1.00 0.00 C ATOM 655 CG PHE A 50 3.094 8.882 14.592 1.00 0.00 C ATOM 656 CD1 PHE A 50 1.823 8.802 15.071 1.00 0.00 C ATOM 657 CD2 PHE A 50 4.138 8.487 15.368 1.00 0.00 C ATOM 658 CE1 PHE A 50 1.587 8.305 16.380 1.00 0.00 C ATOM 659 CE2 PHE A 50 3.903 7.988 16.677 1.00 0.00 C ATOM 660 CZ PHE A 50 2.632 7.908 17.155 1.00 0.00 C ATOM 0 H PHE A 50 5.025 7.744 12.766 1.00 0.00 H new ATOM 0 HA PHE A 50 2.198 7.857 12.173 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.366 9.802 13.128 1.00 0.00 H new ATOM 0 HB3 PHE A 50 2.679 10.259 12.999 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.993 9.117 14.455 1.00 0.00 H new ATOM 0 HD2 PHE A 50 5.147 8.553 14.989 1.00 0.00 H new ATOM 0 HE1 PHE A 50 0.578 8.242 16.760 1.00 0.00 H new ATOM 0 HE2 PHE A 50 4.733 7.672 17.292 1.00 0.00 H new ATOM 0 HZ PHE A 50 2.452 7.529 18.150 1.00 0.00 H new ATOM 669 N MET A 51 4.144 8.720 9.908 1.00 0.00 N ATOM 670 CA MET A 51 4.281 9.309 8.586 1.00 0.00 C ATOM 671 C MET A 51 3.138 8.869 7.669 1.00 0.00 C ATOM 672 O MET A 51 2.822 9.551 6.696 1.00 0.00 O ATOM 673 CB MET A 51 5.618 8.886 7.975 1.00 0.00 C ATOM 674 CG MET A 51 6.632 10.030 8.029 1.00 0.00 C ATOM 675 SD MET A 51 6.676 10.730 9.671 1.00 0.00 S ATOM 676 CE MET A 51 8.098 9.878 10.333 1.00 0.00 C ATOM 0 H MET A 51 4.851 8.023 10.139 1.00 0.00 H new ATOM 0 HA MET A 51 4.244 10.394 8.686 1.00 0.00 H new ATOM 0 HB2 MET A 51 6.010 8.022 8.512 1.00 0.00 H new ATOM 0 HB3 MET A 51 5.468 8.577 6.941 1.00 0.00 H new ATOM 0 HG2 MET A 51 7.621 9.663 7.754 1.00 0.00 H new ATOM 0 HG3 MET A 51 6.364 10.799 7.304 1.00 0.00 H new ATOM 0 HE1 MET A 51 7.830 9.400 11.275 1.00 0.00 H new ATOM 0 HE2 MET A 51 8.431 9.121 9.623 1.00 0.00 H new ATOM 0 HE3 MET A 51 8.903 10.593 10.505 1.00 0.00 H new ATOM 684 N ASN A 52 2.550 7.732 8.014 1.00 0.00 N ATOM 685 CA ASN A 52 1.449 7.193 7.234 1.00 0.00 C ATOM 686 C ASN A 52 0.131 7.778 7.748 1.00 0.00 C ATOM 687 O ASN A 52 0.098 8.411 8.801 1.00 0.00 O ATOM 688 CB ASN A 52 1.373 5.672 7.366 1.00 0.00 C ATOM 689 CG ASN A 52 1.979 4.985 6.139 1.00 0.00 C ATOM 690 OD1 ASN A 52 1.096 4.315 5.404 1.00 0.00 O flip ATOM 691 ND2 ASN A 52 3.168 5.058 5.879 1.00 0.00 N flip ATOM 0 H ASN A 52 2.815 7.170 8.823 1.00 0.00 H new ATOM 0 HA ASN A 52 1.616 7.456 6.190 1.00 0.00 H new ATOM 0 HB2 ASN A 52 1.903 5.354 8.264 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.334 5.365 7.483 1.00 0.00 H new ATOM 0 HD21 ASN A 52 3.791 5.590 6.487 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.539 4.587 5.054 1.00 0.00 H new ATOM 697 N MET A 53 -0.922 7.546 6.978 1.00 0.00 N ATOM 698 CA MET A 53 -2.239 8.041 7.342 1.00 0.00 C ATOM 699 C MET A 53 -3.024 6.987 8.126 1.00 0.00 C ATOM 700 O MET A 53 -2.898 5.792 7.863 1.00 0.00 O ATOM 701 CB MET A 53 -3.011 8.417 6.077 1.00 0.00 C ATOM 702 CG MET A 53 -4.276 9.207 6.420 1.00 0.00 C ATOM 703 SD MET A 53 -4.216 10.819 5.658 1.00 0.00 S ATOM 704 CE MET A 53 -2.581 11.335 6.153 1.00 0.00 C ATOM 0 H MET A 53 -0.890 7.022 6.104 1.00 0.00 H new ATOM 0 HA MET A 53 -2.114 8.919 7.976 1.00 0.00 H new ATOM 0 HB2 MET A 53 -2.374 9.011 5.421 1.00 0.00 H new ATOM 0 HB3 MET A 53 -3.280 7.514 5.529 1.00 0.00 H new ATOM 0 HG2 MET A 53 -5.157 8.666 6.075 1.00 0.00 H new ATOM 0 HG3 MET A 53 -4.368 9.310 7.501 1.00 0.00 H new ATOM 0 HE1 MET A 53 -2.541 12.423 6.200 1.00 0.00 H new ATOM 0 HE2 MET A 53 -2.350 10.921 7.135 1.00 0.00 H new ATOM 0 HE3 MET A 53 -1.851 10.976 5.427 1.00 0.00 H new ATOM 712 N MET A 54 -3.817 7.468 9.071 1.00 0.00 N ATOM 713 CA MET A 54 -4.623 6.583 9.894 1.00 0.00 C ATOM 714 C MET A 54 -5.404 5.590 9.030 1.00 0.00 C ATOM 715 O MET A 54 -5.605 4.443 9.424 1.00 0.00 O ATOM 716 CB MET A 54 -5.601 7.411 10.730 1.00 0.00 C ATOM 717 CG MET A 54 -4.993 7.773 12.086 1.00 0.00 C ATOM 718 SD MET A 54 -4.913 6.326 13.126 1.00 0.00 S ATOM 719 CE MET A 54 -5.782 6.929 14.564 1.00 0.00 C ATOM 0 H MET A 54 -3.919 8.460 9.285 1.00 0.00 H new ATOM 0 HA MET A 54 -3.957 6.021 10.549 1.00 0.00 H new ATOM 0 HB2 MET A 54 -5.865 8.321 10.191 1.00 0.00 H new ATOM 0 HB3 MET A 54 -6.523 6.850 10.879 1.00 0.00 H new ATOM 0 HG2 MET A 54 -3.994 8.186 11.947 1.00 0.00 H new ATOM 0 HG3 MET A 54 -5.593 8.545 12.568 1.00 0.00 H new ATOM 0 HE1 MET A 54 -5.824 6.144 15.319 1.00 0.00 H new ATOM 0 HE2 MET A 54 -5.258 7.795 14.969 1.00 0.00 H new ATOM 0 HE3 MET A 54 -6.795 7.217 14.283 1.00 0.00 H new ATOM 727 N ASP A 55 -5.823 6.069 7.867 1.00 0.00 N ATOM 728 CA ASP A 55 -6.577 5.238 6.943 1.00 0.00 C ATOM 729 C ASP A 55 -5.910 3.865 6.838 1.00 0.00 C ATOM 730 O ASP A 55 -6.589 2.850 6.694 1.00 0.00 O ATOM 731 CB ASP A 55 -6.608 5.856 5.546 1.00 0.00 C ATOM 732 CG ASP A 55 -7.994 5.934 4.903 1.00 0.00 C ATOM 733 OD1 ASP A 55 -8.938 5.258 5.338 1.00 0.00 O ATOM 734 OD2 ASP A 55 -8.085 6.738 3.898 1.00 0.00 O ATOM 0 H ASP A 55 -5.655 7.022 7.544 1.00 0.00 H new ATOM 0 HA ASP A 55 -7.596 5.152 7.322 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.193 6.862 5.601 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.954 5.277 4.894 1.00 0.00 H new ATOM 739 N GLU A 56 -4.588 3.877 6.917 1.00 0.00 N ATOM 740 CA GLU A 56 -3.821 2.646 6.832 1.00 0.00 C ATOM 741 C GLU A 56 -4.457 1.564 7.707 1.00 0.00 C ATOM 742 O GLU A 56 -4.440 0.386 7.355 1.00 0.00 O ATOM 743 CB GLU A 56 -2.361 2.881 7.224 1.00 0.00 C ATOM 744 CG GLU A 56 -2.252 3.360 8.673 1.00 0.00 C ATOM 745 CD GLU A 56 -1.621 2.284 9.561 1.00 0.00 C ATOM 746 OE1 GLU A 56 -0.505 2.475 10.066 1.00 0.00 O ATOM 747 OE2 GLU A 56 -2.333 1.221 9.718 1.00 0.00 O ATOM 0 H GLU A 56 -4.028 4.721 7.039 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.834 2.303 5.797 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -1.794 1.958 7.099 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.917 3.621 6.558 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.652 4.269 8.715 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.242 3.614 9.051 1.00 0.00 H new ATOM 753 N ALA A 57 -5.003 2.003 8.833 1.00 0.00 N ATOM 754 CA ALA A 57 -5.643 1.086 9.761 1.00 0.00 C ATOM 755 C ALA A 57 -6.874 0.470 9.094 1.00 0.00 C ATOM 756 O ALA A 57 -7.000 -0.751 9.027 1.00 0.00 O ATOM 757 CB ALA A 57 -5.989 1.829 11.053 1.00 0.00 C ATOM 0 H ALA A 57 -5.015 2.981 9.123 1.00 0.00 H new ATOM 0 HA ALA A 57 -4.969 0.271 10.024 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -6.469 1.142 11.750 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -5.077 2.223 11.502 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -6.668 2.652 10.829 1.00 0.00 H new ATOM 763 N PHE A 58 -7.751 1.343 8.620 1.00 0.00 N ATOM 764 CA PHE A 58 -8.967 0.899 7.962 1.00 0.00 C ATOM 765 C PHE A 58 -8.645 0.074 6.713 1.00 0.00 C ATOM 766 O PHE A 58 -9.360 -0.874 6.391 1.00 0.00 O ATOM 767 CB PHE A 58 -9.734 2.155 7.545 1.00 0.00 C ATOM 768 CG PHE A 58 -10.880 2.526 8.488 1.00 0.00 C ATOM 769 CD1 PHE A 58 -10.622 3.193 9.644 1.00 0.00 C ATOM 770 CD2 PHE A 58 -12.159 2.189 8.169 1.00 0.00 C ATOM 771 CE1 PHE A 58 -11.685 3.538 10.519 1.00 0.00 C ATOM 772 CE2 PHE A 58 -13.223 2.532 9.044 1.00 0.00 C ATOM 773 CZ PHE A 58 -12.964 3.200 10.201 1.00 0.00 C ATOM 0 H PHE A 58 -7.643 2.356 8.679 1.00 0.00 H new ATOM 0 HA PHE A 58 -9.549 0.273 8.638 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -9.038 2.992 7.489 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -10.135 2.007 6.542 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -9.607 3.461 9.897 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -12.365 1.660 7.250 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -11.479 4.069 11.437 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -14.238 2.263 8.791 1.00 0.00 H new ATOM 0 HZ PHE A 58 -13.773 3.462 10.866 1.00 0.00 H new ATOM 782 N LYS A 59 -7.570 0.466 6.046 1.00 0.00 N ATOM 783 CA LYS A 59 -7.146 -0.226 4.840 1.00 0.00 C ATOM 784 C LYS A 59 -7.207 -1.736 5.075 1.00 0.00 C ATOM 785 O LYS A 59 -7.732 -2.475 4.243 1.00 0.00 O ATOM 786 CB LYS A 59 -5.769 0.272 4.395 1.00 0.00 C ATOM 787 CG LYS A 59 -4.781 -0.889 4.270 1.00 0.00 C ATOM 788 CD LYS A 59 -5.190 -1.839 3.142 1.00 0.00 C ATOM 789 CE LYS A 59 -4.126 -1.878 2.044 1.00 0.00 C ATOM 790 NZ LYS A 59 -4.283 -0.724 1.129 1.00 0.00 N ATOM 0 H LYS A 59 -6.980 1.253 6.317 1.00 0.00 H new ATOM 0 HA LYS A 59 -7.823 -0.005 4.015 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -5.856 0.785 3.437 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -5.392 1.000 5.113 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.781 -0.501 4.078 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -4.736 -1.436 5.212 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -5.341 -2.841 3.543 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -6.142 -1.518 2.719 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -3.132 -1.862 2.492 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -4.208 -2.809 1.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -3.346 -0.405 0.808 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -4.853 -1.008 0.307 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -4.760 0.053 1.629 1.00 0.00 H new ATOM 799 N HIS A 60 -6.665 -2.149 6.210 1.00 0.00 N ATOM 800 CA HIS A 60 -6.653 -3.558 6.565 1.00 0.00 C ATOM 801 C HIS A 60 -8.088 -4.050 6.763 1.00 0.00 C ATOM 802 O HIS A 60 -8.508 -5.019 6.132 1.00 0.00 O ATOM 803 CB HIS A 60 -5.767 -3.803 7.788 1.00 0.00 C ATOM 804 CG HIS A 60 -6.136 -5.037 8.576 1.00 0.00 C ATOM 805 ND1 HIS A 60 -5.401 -6.208 8.523 1.00 0.00 N ATOM 806 CD2 HIS A 60 -7.169 -5.269 9.437 1.00 0.00 C ATOM 807 CE1 HIS A 60 -5.975 -7.098 9.319 1.00 0.00 C ATOM 808 NE2 HIS A 60 -7.070 -6.514 9.884 1.00 0.00 N ATOM 0 H HIS A 60 -6.230 -1.533 6.897 1.00 0.00 H new ATOM 0 HA HIS A 60 -6.217 -4.138 5.752 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -4.731 -3.889 7.462 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -5.823 -2.935 8.445 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -7.937 -4.560 9.708 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -5.635 -8.109 9.490 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -7.708 -6.961 10.542 1.00 0.00 H new ATOM 815 N THR A 61 -8.799 -3.361 7.642 1.00 0.00 N ATOM 816 CA THR A 61 -10.178 -3.715 7.932 1.00 0.00 C ATOM 817 C THR A 61 -10.998 -3.763 6.642 1.00 0.00 C ATOM 818 O THR A 61 -11.901 -4.589 6.506 1.00 0.00 O ATOM 819 CB THR A 61 -10.718 -2.717 8.958 1.00 0.00 C ATOM 820 OG1 THR A 61 -9.890 -2.912 10.102 1.00 0.00 O ATOM 821 CG2 THR A 61 -12.120 -3.081 9.448 1.00 0.00 C ATOM 0 H THR A 61 -8.446 -2.559 8.164 1.00 0.00 H new ATOM 0 HA THR A 61 -10.247 -4.714 8.362 1.00 0.00 H new ATOM 0 HB THR A 61 -10.734 -1.720 8.519 1.00 0.00 H new ATOM 0 HG1 THR A 61 -10.170 -2.302 10.816 1.00 0.00 H new ATOM 0 HG21 THR A 61 -12.455 -2.340 10.174 1.00 0.00 H new ATOM 0 HG22 THR A 61 -12.808 -3.098 8.603 1.00 0.00 H new ATOM 0 HG23 THR A 61 -12.098 -4.065 9.917 1.00 0.00 H new ATOM 829 N ALA A 62 -10.658 -2.868 5.727 1.00 0.00 N ATOM 830 CA ALA A 62 -11.351 -2.798 4.453 1.00 0.00 C ATOM 831 C ALA A 62 -11.108 -4.092 3.673 1.00 0.00 C ATOM 832 O ALA A 62 -12.056 -4.777 3.290 1.00 0.00 O ATOM 833 CB ALA A 62 -10.885 -1.559 3.685 1.00 0.00 C ATOM 0 H ALA A 62 -9.910 -2.184 5.843 1.00 0.00 H new ATOM 0 HA ALA A 62 -12.426 -2.702 4.606 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.405 -1.507 2.729 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.106 -0.665 4.268 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.811 -1.622 3.511 1.00 0.00 H new ATOM 839 N ARG A 63 -9.835 -4.388 3.461 1.00 0.00 N ATOM 840 CA ARG A 63 -9.456 -5.588 2.734 1.00 0.00 C ATOM 841 C ARG A 63 -9.687 -6.828 3.600 1.00 0.00 C ATOM 842 O ARG A 63 -9.292 -7.932 3.228 1.00 0.00 O ATOM 843 CB ARG A 63 -7.986 -5.536 2.314 1.00 0.00 C ATOM 844 CG ARG A 63 -7.078 -6.071 3.422 1.00 0.00 C ATOM 845 CD ARG A 63 -5.606 -5.800 3.106 1.00 0.00 C ATOM 846 NE ARG A 63 -4.804 -5.847 4.349 1.00 0.00 N ATOM 847 CZ ARG A 63 -4.260 -6.974 4.856 1.00 0.00 C ATOM 848 NH1 ARG A 63 -4.428 -8.158 4.230 1.00 0.00 N ATOM 849 NH2 ARG A 63 -3.561 -6.900 5.974 1.00 0.00 N ATOM 0 H ARG A 63 -9.052 -3.818 3.780 1.00 0.00 H new ATOM 0 HA ARG A 63 -10.076 -5.644 1.840 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -7.843 -6.123 1.407 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -7.709 -4.509 2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -7.342 -5.603 4.370 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -7.236 -7.143 3.541 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -5.236 -6.540 2.396 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -5.501 -4.824 2.632 1.00 0.00 H new ATOM 0 HE ARG A 63 -4.653 -4.974 4.854 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -4.969 -8.206 3.367 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -4.013 -9.004 4.620 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -3.439 -6.001 6.441 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -3.143 -7.742 6.371 1.00 0.00 H new ATOM 859 N HIS A 64 -10.327 -6.605 4.739 1.00 0.00 N ATOM 860 CA HIS A 64 -10.616 -7.691 5.660 1.00 0.00 C ATOM 861 C HIS A 64 -11.771 -8.533 5.115 1.00 0.00 C ATOM 862 O HIS A 64 -11.591 -9.706 4.791 1.00 0.00 O ATOM 863 CB HIS A 64 -10.888 -7.152 7.066 1.00 0.00 C ATOM 864 CG HIS A 64 -10.819 -8.203 8.149 1.00 0.00 C ATOM 865 ND1 HIS A 64 -11.148 -7.941 9.468 1.00 0.00 N ATOM 866 CD2 HIS A 64 -10.457 -9.516 8.095 1.00 0.00 C ATOM 867 CE1 HIS A 64 -10.987 -9.055 10.167 1.00 0.00 C ATOM 868 NE2 HIS A 64 -10.558 -10.030 9.315 1.00 0.00 N ATOM 0 H HIS A 64 -10.653 -5.688 5.045 1.00 0.00 H new ATOM 0 HA HIS A 64 -9.746 -8.342 5.744 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -10.166 -6.367 7.289 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -11.876 -6.691 7.083 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -10.141 -10.048 7.210 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -11.164 -9.171 11.226 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -10.349 -10.995 9.573 1.00 0.00 H new ATOM 875 N ASN A 65 -12.933 -7.901 5.029 1.00 0.00 N ATOM 876 CA ASN A 65 -14.117 -8.577 4.528 1.00 0.00 C ATOM 877 C ASN A 65 -14.559 -7.920 3.218 1.00 0.00 C ATOM 878 O ASN A 65 -14.866 -8.609 2.248 1.00 0.00 O ATOM 879 CB ASN A 65 -15.274 -8.472 5.523 1.00 0.00 C ATOM 880 CG ASN A 65 -15.639 -7.010 5.788 1.00 0.00 C ATOM 881 OD1 ASN A 65 -14.791 -6.377 6.593 1.00 0.00 O flip ATOM 882 ND2 ASN A 65 -16.626 -6.491 5.293 1.00 0.00 N flip ATOM 0 H ASN A 65 -13.079 -6.928 5.298 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.866 -9.627 4.376 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -16.143 -9.002 5.133 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -14.998 -8.957 6.459 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -17.236 -7.035 4.683 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -16.841 -5.513 5.489 1.00 0.00 H new ATOM 888 N VAL A 66 -14.577 -6.596 3.235 1.00 0.00 N ATOM 889 CA VAL A 66 -14.976 -5.838 2.062 1.00 0.00 C ATOM 890 C VAL A 66 -13.730 -5.440 1.269 1.00 0.00 C ATOM 891 O VAL A 66 -12.675 -6.055 1.414 1.00 0.00 O ATOM 892 CB VAL A 66 -15.828 -4.637 2.479 1.00 0.00 C ATOM 893 CG1 VAL A 66 -14.947 -3.443 2.854 1.00 0.00 C ATOM 894 CG2 VAL A 66 -16.822 -4.261 1.377 1.00 0.00 C ATOM 0 H VAL A 66 -14.322 -6.028 4.043 1.00 0.00 H new ATOM 0 HA VAL A 66 -15.597 -6.448 1.407 1.00 0.00 H new ATOM 0 HB VAL A 66 -16.399 -4.922 3.363 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -15.577 -2.603 3.146 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -14.298 -3.717 3.686 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -14.337 -3.158 1.997 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -17.415 -3.405 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -16.278 -4.005 0.468 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -17.482 -5.106 1.179 1.00 0.00 H new ATOM 904 N ASP A 67 -13.894 -4.414 0.446 1.00 0.00 N ATOM 905 CA ASP A 67 -12.795 -3.927 -0.370 1.00 0.00 C ATOM 906 C ASP A 67 -12.805 -2.397 -0.371 1.00 0.00 C ATOM 907 O ASP A 67 -13.850 -1.780 -0.570 1.00 0.00 O ATOM 908 CB ASP A 67 -12.932 -4.401 -1.818 1.00 0.00 C ATOM 909 CG ASP A 67 -11.632 -4.878 -2.469 1.00 0.00 C ATOM 910 OD1 ASP A 67 -11.023 -5.866 -2.031 1.00 0.00 O ATOM 911 OD2 ASP A 67 -11.240 -4.179 -3.480 1.00 0.00 O ATOM 0 H ASP A 67 -14.771 -3.907 0.327 1.00 0.00 H new ATOM 0 HA ASP A 67 -11.866 -4.314 0.050 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.657 -5.214 -1.851 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -13.341 -3.585 -2.414 1.00 0.00 H new ATOM 916 N GLU A 68 -11.629 -1.829 -0.145 1.00 0.00 N ATOM 917 CA GLU A 68 -11.490 -0.383 -0.118 1.00 0.00 C ATOM 918 C GLU A 68 -10.147 0.032 -0.723 1.00 0.00 C ATOM 919 O GLU A 68 -9.129 -0.618 -0.490 1.00 0.00 O ATOM 920 CB GLU A 68 -11.639 0.155 1.306 1.00 0.00 C ATOM 921 CG GLU A 68 -12.086 1.618 1.295 1.00 0.00 C ATOM 922 CD GLU A 68 -13.585 1.731 1.007 1.00 0.00 C ATOM 923 OE1 GLU A 68 -14.128 0.936 0.227 1.00 0.00 O ATOM 924 OE2 GLU A 68 -14.188 2.690 1.626 1.00 0.00 O ATOM 0 H GLU A 68 -10.764 -2.344 0.021 1.00 0.00 H new ATOM 0 HA GLU A 68 -12.288 0.051 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -12.366 -0.447 1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -10.690 0.065 1.834 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -11.861 2.078 2.257 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -11.524 2.168 0.540 1.00 0.00 H new ATOM 930 N LEU A 69 -10.188 1.113 -1.488 1.00 0.00 N ATOM 931 CA LEU A 69 -8.987 1.623 -2.128 1.00 0.00 C ATOM 932 C LEU A 69 -8.926 3.142 -1.952 1.00 0.00 C ATOM 933 O LEU A 69 -9.901 3.842 -2.223 1.00 0.00 O ATOM 934 CB LEU A 69 -8.925 1.170 -3.588 1.00 0.00 C ATOM 935 CG LEU A 69 -10.257 1.147 -4.341 1.00 0.00 C ATOM 936 CD1 LEU A 69 -11.148 0.007 -3.843 1.00 0.00 C ATOM 937 CD2 LEU A 69 -10.960 2.503 -4.253 1.00 0.00 C ATOM 0 H LEU A 69 -11.034 1.650 -1.679 1.00 0.00 H new ATOM 0 HA LEU A 69 -8.097 1.211 -1.652 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -8.239 1.827 -4.123 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -8.496 0.169 -3.619 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.051 0.959 -5.395 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -12.088 0.013 -4.394 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -10.642 -0.945 -3.999 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.350 0.141 -2.780 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -11.904 2.459 -4.796 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.154 2.745 -3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -10.324 3.272 -4.692 1.00 0.00 H new ATOM 948 N HIS A 70 -7.772 3.607 -1.500 1.00 0.00 N ATOM 949 CA HIS A 70 -7.571 5.030 -1.285 1.00 0.00 C ATOM 950 C HIS A 70 -6.126 5.402 -1.628 1.00 0.00 C ATOM 951 O HIS A 70 -5.199 4.657 -1.317 1.00 0.00 O ATOM 952 CB HIS A 70 -7.961 5.424 0.142 1.00 0.00 C ATOM 953 CG HIS A 70 -7.309 6.697 0.628 1.00 0.00 C ATOM 954 ND1 HIS A 70 -6.365 6.716 1.639 1.00 0.00 N ATOM 955 CD2 HIS A 70 -7.474 7.991 0.229 1.00 0.00 C ATOM 956 CE1 HIS A 70 -5.987 7.970 1.834 1.00 0.00 C ATOM 957 NE2 HIS A 70 -6.675 8.759 0.960 1.00 0.00 N ATOM 0 H HIS A 70 -6.966 3.024 -1.276 1.00 0.00 H new ATOM 0 HA HIS A 70 -8.223 5.597 -1.949 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -9.044 5.540 0.193 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -7.696 4.611 0.818 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -6.019 5.902 2.148 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -8.141 8.332 -0.549 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -5.261 8.309 2.558 1.00 0.00 H new ATOM 964 N ILE A 71 -5.982 6.555 -2.265 1.00 0.00 N ATOM 965 CA ILE A 71 -4.667 7.036 -2.654 1.00 0.00 C ATOM 966 C ILE A 71 -4.546 8.520 -2.302 1.00 0.00 C ATOM 967 O ILE A 71 -5.421 9.315 -2.644 1.00 0.00 O ATOM 968 CB ILE A 71 -4.400 6.729 -4.128 1.00 0.00 C ATOM 969 CG1 ILE A 71 -4.521 5.230 -4.408 1.00 0.00 C ATOM 970 CG2 ILE A 71 -3.045 7.287 -4.568 1.00 0.00 C ATOM 971 CD1 ILE A 71 -3.483 4.438 -3.608 1.00 0.00 C ATOM 0 H ILE A 71 -6.754 7.170 -2.521 1.00 0.00 H new ATOM 0 HA ILE A 71 -3.890 6.513 -2.097 1.00 0.00 H new ATOM 0 HB ILE A 71 -5.163 7.230 -4.724 1.00 0.00 H new ATOM 0 HG12 ILE A 71 -5.523 4.888 -4.150 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -4.385 5.043 -5.473 1.00 0.00 H new ATOM 0 HG21 ILE A 71 -2.880 7.055 -5.620 1.00 0.00 H new ATOM 0 HG22 ILE A 71 -3.034 8.368 -4.429 1.00 0.00 H new ATOM 0 HG23 ILE A 71 -2.254 6.836 -3.969 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -3.590 3.375 -3.825 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.481 4.766 -3.886 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -3.638 4.608 -2.543 1.00 0.00 H new ATOM 982 N ASP A 72 -3.456 8.847 -1.625 1.00 0.00 N ATOM 983 CA ASP A 72 -3.210 10.221 -1.223 1.00 0.00 C ATOM 984 C ASP A 72 -1.708 10.506 -1.284 1.00 0.00 C ATOM 985 O ASP A 72 -0.897 9.660 -0.912 1.00 0.00 O ATOM 986 CB ASP A 72 -3.679 10.468 0.212 1.00 0.00 C ATOM 987 CG ASP A 72 -2.654 10.125 1.296 1.00 0.00 C ATOM 988 OD1 ASP A 72 -2.284 10.976 2.117 1.00 0.00 O ATOM 989 OD2 ASP A 72 -2.227 8.907 1.275 1.00 0.00 O ATOM 0 H ASP A 72 -2.733 8.184 -1.345 1.00 0.00 H new ATOM 0 HA ASP A 72 -3.761 10.873 -1.900 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -3.954 11.518 0.313 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -4.582 9.883 0.389 1.00 0.00 H new ATOM 994 N GLY A 73 -1.382 11.699 -1.759 1.00 0.00 N ATOM 995 CA GLY A 73 0.009 12.104 -1.875 1.00 0.00 C ATOM 996 C GLY A 73 0.208 13.531 -1.357 1.00 0.00 C ATOM 997 O GLY A 73 -0.521 14.443 -1.742 1.00 0.00 O ATOM 0 H GLY A 73 -2.057 12.398 -2.068 1.00 0.00 H new ATOM 0 HA2 GLY A 73 0.640 11.417 -1.311 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.324 12.044 -2.917 1.00 0.00 H new ATOM 1001 N ASN A 74 1.201 13.677 -0.490 1.00 0.00 N ATOM 1002 CA ASN A 74 1.505 14.976 0.085 1.00 0.00 C ATOM 1003 C ASN A 74 3.018 15.099 0.281 1.00 0.00 C ATOM 1004 O ASN A 74 3.675 14.141 0.685 1.00 0.00 O ATOM 1005 CB ASN A 74 0.836 15.145 1.449 1.00 0.00 C ATOM 1006 CG ASN A 74 1.081 16.547 2.011 1.00 0.00 C ATOM 1007 OD1 ASN A 74 1.556 17.442 1.331 1.00 0.00 O ATOM 1008 ND2 ASN A 74 0.733 16.687 3.287 1.00 0.00 N ATOM 0 H ASN A 74 1.804 12.918 -0.173 1.00 0.00 H new ATOM 0 HA ASN A 74 1.133 15.742 -0.595 1.00 0.00 H new ATOM 0 HB2 ASN A 74 -0.236 14.969 1.357 1.00 0.00 H new ATOM 0 HB3 ASN A 74 1.223 14.399 2.143 1.00 0.00 H new ATOM 0 HD21 ASN A 74 0.858 17.585 3.754 1.00 0.00 H new ATOM 0 HD22 ASN A 74 0.341 15.896 3.798 1.00 0.00 H new ATOM 1014 N TYR A 75 3.526 16.287 -0.013 1.00 0.00 N ATOM 1015 CA TYR A 75 4.949 16.547 0.127 1.00 0.00 C ATOM 1016 C TYR A 75 5.374 16.494 1.595 1.00 0.00 C ATOM 1017 O TYR A 75 6.563 16.567 1.903 1.00 0.00 O ATOM 1018 CB TYR A 75 5.171 17.964 -0.405 1.00 0.00 C ATOM 1019 CG TYR A 75 6.324 18.709 0.272 1.00 0.00 C ATOM 1020 CD1 TYR A 75 7.629 18.402 -0.051 1.00 0.00 C ATOM 1021 CD2 TYR A 75 6.057 19.688 1.208 1.00 0.00 C ATOM 1022 CE1 TYR A 75 8.713 19.103 0.587 1.00 0.00 C ATOM 1023 CE2 TYR A 75 7.141 20.389 1.846 1.00 0.00 C ATOM 1024 CZ TYR A 75 8.416 20.062 1.504 1.00 0.00 C ATOM 1025 OH TYR A 75 9.439 20.724 2.107 1.00 0.00 O ATOM 0 H TYR A 75 2.978 17.080 -0.347 1.00 0.00 H new ATOM 0 HA TYR A 75 5.531 15.801 -0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 75 5.364 17.913 -1.476 1.00 0.00 H new ATOM 0 HB3 TYR A 75 4.254 18.538 -0.274 1.00 0.00 H new ATOM 0 HD1 TYR A 75 7.838 17.636 -0.783 1.00 0.00 H new ATOM 0 HD2 TYR A 75 5.035 19.928 1.462 1.00 0.00 H new ATOM 0 HE1 TYR A 75 9.739 18.872 0.343 1.00 0.00 H new ATOM 0 HE2 TYR A 75 6.946 21.157 2.580 1.00 0.00 H new ATOM 0 HH TYR A 75 9.077 21.381 2.738 1.00 0.00 H new ATOM 1034 N GLN A 76 4.381 16.367 2.462 1.00 0.00 N ATOM 1035 CA GLN A 76 4.638 16.302 3.891 1.00 0.00 C ATOM 1036 C GLN A 76 4.409 14.881 4.408 1.00 0.00 C ATOM 1037 O GLN A 76 4.650 14.596 5.580 1.00 0.00 O ATOM 1038 CB GLN A 76 3.770 17.308 4.650 1.00 0.00 C ATOM 1039 CG GLN A 76 4.579 18.025 5.732 1.00 0.00 C ATOM 1040 CD GLN A 76 4.673 17.173 7.000 1.00 0.00 C ATOM 1041 OE1 GLN A 76 3.763 16.442 7.356 1.00 0.00 O ATOM 1042 NE2 GLN A 76 5.820 17.310 7.659 1.00 0.00 N ATOM 0 H GLN A 76 3.396 16.307 2.203 1.00 0.00 H new ATOM 0 HA GLN A 76 5.681 16.567 4.065 1.00 0.00 H new ATOM 0 HB2 GLN A 76 3.361 18.039 3.953 1.00 0.00 H new ATOM 0 HB3 GLN A 76 2.924 16.793 5.105 1.00 0.00 H new ATOM 0 HG2 GLN A 76 5.580 18.241 5.359 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.113 18.982 5.966 1.00 0.00 H new ATOM 0 HE21 GLN A 76 6.540 17.940 7.304 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.980 16.785 8.519 1.00 0.00 H new ATOM 1049 N LEU A 77 3.946 14.026 3.509 1.00 0.00 N ATOM 1050 CA LEU A 77 3.682 12.640 3.859 1.00 0.00 C ATOM 1051 C LEU A 77 4.851 12.095 4.682 1.00 0.00 C ATOM 1052 O LEU A 77 4.689 11.766 5.855 1.00 0.00 O ATOM 1053 CB LEU A 77 3.377 11.819 2.605 1.00 0.00 C ATOM 1054 CG LEU A 77 2.544 10.554 2.818 1.00 0.00 C ATOM 1055 CD1 LEU A 77 1.441 10.439 1.763 1.00 0.00 C ATOM 1056 CD2 LEU A 77 3.434 9.310 2.853 1.00 0.00 C ATOM 0 H LEU A 77 3.747 14.266 2.538 1.00 0.00 H new ATOM 0 HA LEU A 77 2.791 12.568 4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 77 2.854 12.459 1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 77 4.322 11.534 2.142 1.00 0.00 H new ATOM 0 HG LEU A 77 2.055 10.628 3.789 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.864 9.531 1.938 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.783 11.305 1.829 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.890 10.399 0.770 1.00 0.00 H new ATOM 0 HD21 LEU A 77 2.816 8.425 3.006 1.00 0.00 H new ATOM 0 HD22 LEU A 77 3.970 9.220 1.908 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.150 9.398 3.670 1.00 0.00 H new ATOM 1067 N GLY A 78 6.004 12.017 4.033 1.00 0.00 N ATOM 1068 CA GLY A 78 7.200 11.518 4.690 1.00 0.00 C ATOM 1069 C GLY A 78 8.205 10.983 3.668 1.00 0.00 C ATOM 1070 O GLY A 78 8.933 10.032 3.947 1.00 0.00 O ATOM 0 H GLY A 78 6.135 12.291 3.059 1.00 0.00 H new ATOM 0 HA2 GLY A 78 7.659 12.317 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 78 6.931 10.727 5.390 1.00 0.00 H new ATOM 1074 N ARG A 79 8.211 11.617 2.505 1.00 0.00 N ATOM 1075 CA ARG A 79 9.115 11.218 1.439 1.00 0.00 C ATOM 1076 C ARG A 79 9.060 9.702 1.238 1.00 0.00 C ATOM 1077 O ARG A 79 10.085 9.066 0.999 1.00 0.00 O ATOM 1078 CB ARG A 79 10.553 11.632 1.752 1.00 0.00 C ATOM 1079 CG ARG A 79 11.157 10.738 2.838 1.00 0.00 C ATOM 1080 CD ARG A 79 12.646 10.495 2.584 1.00 0.00 C ATOM 1081 NE ARG A 79 13.288 11.739 2.103 1.00 0.00 N ATOM 1082 CZ ARG A 79 14.565 11.816 1.675 1.00 0.00 C ATOM 1083 NH1 ARG A 79 15.351 10.718 1.663 1.00 0.00 N ATOM 1084 NH2 ARG A 79 15.035 12.980 1.267 1.00 0.00 N ATOM 0 H ARG A 79 7.604 12.405 2.277 1.00 0.00 H new ATOM 0 HA ARG A 79 8.795 11.722 0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 79 11.158 11.571 0.847 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.573 12.672 2.079 1.00 0.00 H new ATOM 0 HG2 ARG A 79 11.022 11.204 3.814 1.00 0.00 H new ATOM 0 HG3 ARG A 79 10.629 9.785 2.865 1.00 0.00 H new ATOM 0 HD2 ARG A 79 13.129 10.158 3.501 1.00 0.00 H new ATOM 0 HD3 ARG A 79 12.773 9.702 1.847 1.00 0.00 H new ATOM 0 HE ARG A 79 12.729 12.592 2.095 1.00 0.00 H new ATOM 0 HH11 ARG A 79 14.980 9.822 1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 79 16.315 10.785 1.338 1.00 0.00 H new ATOM 0 HH21 ARG A 79 14.435 13.805 1.278 1.00 0.00 H new ATOM 0 HH22 ARG A 79 15.998 13.055 0.940 1.00 0.00 H new ATOM 1094 N ASN A 80 7.852 9.167 1.341 1.00 0.00 N ATOM 1095 CA ASN A 80 7.649 7.738 1.173 1.00 0.00 C ATOM 1096 C ASN A 80 6.792 7.490 -0.069 1.00 0.00 C ATOM 1097 O ASN A 80 5.656 7.959 -0.147 1.00 0.00 O ATOM 1098 CB ASN A 80 6.920 7.140 2.378 1.00 0.00 C ATOM 1099 CG ASN A 80 7.587 5.839 2.833 1.00 0.00 C ATOM 1100 OD1 ASN A 80 8.475 5.308 2.186 1.00 0.00 O ATOM 1101 ND2 ASN A 80 7.112 5.359 3.977 1.00 0.00 N ATOM 0 H ASN A 80 7.004 9.698 1.539 1.00 0.00 H new ATOM 0 HA ASN A 80 8.628 7.268 1.074 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.917 7.858 3.198 1.00 0.00 H new ATOM 0 HB3 ASN A 80 5.879 6.948 2.119 1.00 0.00 H new ATOM 0 HD21 ASN A 80 7.492 4.495 4.365 1.00 0.00 H new ATOM 0 HD22 ASN A 80 6.367 5.854 4.468 1.00 0.00 H new ATOM 1107 N VAL A 81 7.366 6.756 -1.010 1.00 0.00 N ATOM 1108 CA VAL A 81 6.667 6.441 -2.244 1.00 0.00 C ATOM 1109 C VAL A 81 6.489 4.925 -2.353 1.00 0.00 C ATOM 1110 O VAL A 81 7.459 4.195 -2.555 1.00 0.00 O ATOM 1111 CB VAL A 81 7.415 7.041 -3.437 1.00 0.00 C ATOM 1112 CG1 VAL A 81 6.931 6.430 -4.753 1.00 0.00 C ATOM 1113 CG2 VAL A 81 7.280 8.565 -3.457 1.00 0.00 C ATOM 0 H VAL A 81 8.308 6.370 -0.943 1.00 0.00 H new ATOM 0 HA VAL A 81 5.672 6.886 -2.243 1.00 0.00 H new ATOM 0 HB VAL A 81 8.472 6.799 -3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 81 7.479 6.874 -5.584 1.00 0.00 H new ATOM 0 HG12 VAL A 81 7.103 5.354 -4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 81 5.866 6.626 -4.875 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.820 8.967 -4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 81 6.227 8.836 -3.532 1.00 0.00 H new ATOM 0 HG23 VAL A 81 7.697 8.979 -2.539 1.00 0.00 H new ATOM 1123 N LEU A 82 5.244 4.496 -2.213 1.00 0.00 N ATOM 1124 CA LEU A 82 4.926 3.081 -2.292 1.00 0.00 C ATOM 1125 C LEU A 82 3.851 2.862 -3.359 1.00 0.00 C ATOM 1126 O LEU A 82 2.752 3.403 -3.256 1.00 0.00 O ATOM 1127 CB LEU A 82 4.544 2.539 -0.914 1.00 0.00 C ATOM 1128 CG LEU A 82 5.613 2.659 0.175 1.00 0.00 C ATOM 1129 CD1 LEU A 82 6.868 1.869 -0.199 1.00 0.00 C ATOM 1130 CD2 LEU A 82 5.927 4.126 0.475 1.00 0.00 C ATOM 0 H LEU A 82 4.443 5.104 -2.045 1.00 0.00 H new ATOM 0 HA LEU A 82 5.802 2.511 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 82 3.649 3.061 -0.576 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.278 1.487 -1.020 1.00 0.00 H new ATOM 0 HG LEU A 82 5.218 2.220 1.091 1.00 0.00 H new ATOM 0 HD11 LEU A 82 7.611 1.971 0.592 1.00 0.00 H new ATOM 0 HD12 LEU A 82 6.612 0.817 -0.323 1.00 0.00 H new ATOM 0 HD13 LEU A 82 7.276 2.255 -1.133 1.00 0.00 H new ATOM 0 HD21 LEU A 82 6.689 4.183 1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 82 6.293 4.612 -0.429 1.00 0.00 H new ATOM 0 HD23 LEU A 82 5.022 4.629 0.816 1.00 0.00 H new ATOM 1141 N LEU A 83 4.207 2.068 -4.358 1.00 0.00 N ATOM 1142 CA LEU A 83 3.286 1.772 -5.442 1.00 0.00 C ATOM 1143 C LEU A 83 2.944 0.281 -5.421 1.00 0.00 C ATOM 1144 O LEU A 83 3.805 -0.562 -5.666 1.00 0.00 O ATOM 1145 CB LEU A 83 3.858 2.252 -6.777 1.00 0.00 C ATOM 1146 CG LEU A 83 4.179 1.161 -7.800 1.00 0.00 C ATOM 1147 CD1 LEU A 83 3.967 1.669 -9.228 1.00 0.00 C ATOM 1148 CD2 LEU A 83 5.592 0.613 -7.591 1.00 0.00 C ATOM 0 H LEU A 83 5.120 1.621 -4.440 1.00 0.00 H new ATOM 0 HA LEU A 83 2.351 2.317 -5.307 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.147 2.945 -7.226 1.00 0.00 H new ATOM 0 HB3 LEU A 83 4.770 2.815 -6.578 1.00 0.00 H new ATOM 0 HG LEU A 83 3.486 0.334 -7.646 1.00 0.00 H new ATOM 0 HD11 LEU A 83 4.202 0.874 -9.936 1.00 0.00 H new ATOM 0 HD12 LEU A 83 2.928 1.973 -9.356 1.00 0.00 H new ATOM 0 HD13 LEU A 83 4.620 2.523 -9.411 1.00 0.00 H new ATOM 0 HD21 LEU A 83 5.795 -0.161 -8.331 1.00 0.00 H new ATOM 0 HD22 LEU A 83 6.316 1.421 -7.703 1.00 0.00 H new ATOM 0 HD23 LEU A 83 5.673 0.189 -6.590 1.00 0.00 H new ATOM 1159 N LYS A 84 1.683 0.000 -5.126 1.00 0.00 N ATOM 1160 CA LYS A 84 1.215 -1.375 -5.069 1.00 0.00 C ATOM 1161 C LYS A 84 0.020 -1.541 -6.010 1.00 0.00 C ATOM 1162 O LYS A 84 -1.002 -0.876 -5.844 1.00 0.00 O ATOM 1163 CB LYS A 84 0.922 -1.782 -3.624 1.00 0.00 C ATOM 1164 CG LYS A 84 1.991 -2.740 -3.097 1.00 0.00 C ATOM 1165 CD LYS A 84 1.600 -4.197 -3.360 1.00 0.00 C ATOM 1166 CE LYS A 84 2.386 -5.148 -2.456 1.00 0.00 C ATOM 1167 NZ LYS A 84 1.789 -5.187 -1.101 1.00 0.00 N ATOM 0 H LYS A 84 0.971 0.701 -4.924 1.00 0.00 H new ATOM 0 HA LYS A 84 1.991 -2.057 -5.416 1.00 0.00 H new ATOM 0 HB2 LYS A 84 0.882 -0.894 -2.993 1.00 0.00 H new ATOM 0 HB3 LYS A 84 -0.057 -2.258 -3.568 1.00 0.00 H new ATOM 0 HG2 LYS A 84 2.946 -2.524 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 84 2.129 -2.584 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 84 0.531 -4.327 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 84 1.788 -4.445 -4.405 1.00 0.00 H new ATOM 0 HE2 LYS A 84 2.390 -6.149 -2.887 1.00 0.00 H new ATOM 0 HE3 LYS A 84 3.425 -4.824 -2.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 84 2.523 -5.431 -0.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 84 1.389 -4.255 -0.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 84 1.035 -5.903 -1.074 1.00 0.00 H new ATOM 1176 N ASN A 85 0.187 -2.432 -6.975 1.00 0.00 N ATOM 1177 CA ASN A 85 -0.866 -2.694 -7.942 1.00 0.00 C ATOM 1178 C ASN A 85 -1.360 -4.133 -7.776 1.00 0.00 C ATOM 1179 O ASN A 85 -0.589 -5.079 -7.935 1.00 0.00 O ATOM 1180 CB ASN A 85 -0.351 -2.534 -9.375 1.00 0.00 C ATOM 1181 CG ASN A 85 -1.187 -3.362 -10.353 1.00 0.00 C ATOM 1182 OD1 ASN A 85 -2.312 -3.029 -10.685 1.00 0.00 O ATOM 1183 ND2 ASN A 85 -0.575 -4.457 -10.795 1.00 0.00 N ATOM 0 H ASN A 85 1.035 -2.982 -7.109 1.00 0.00 H new ATOM 0 HA ASN A 85 -1.670 -1.980 -7.765 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -0.384 -1.483 -9.662 1.00 0.00 H new ATOM 0 HB3 ASN A 85 0.692 -2.846 -9.428 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -1.049 -5.076 -11.452 1.00 0.00 H new ATOM 0 HD22 ASN A 85 0.369 -4.678 -10.477 1.00 0.00 H new ATOM 1189 N GLY A 86 -2.640 -4.253 -7.457 1.00 0.00 N ATOM 1190 CA GLY A 86 -3.244 -5.560 -7.267 1.00 0.00 C ATOM 1191 C GLY A 86 -4.312 -5.830 -8.329 1.00 0.00 C ATOM 1192 O GLY A 86 -5.290 -5.092 -8.433 1.00 0.00 O ATOM 0 H GLY A 86 -3.276 -3.466 -7.325 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -2.475 -6.331 -7.316 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -3.690 -5.617 -6.274 1.00 0.00 H new ATOM 1196 N GLU A 87 -4.087 -6.891 -9.091 1.00 0.00 N ATOM 1197 CA GLU A 87 -5.018 -7.268 -10.142 1.00 0.00 C ATOM 1198 C GLU A 87 -5.485 -8.711 -9.944 1.00 0.00 C ATOM 1199 O GLU A 87 -4.673 -9.636 -9.946 1.00 0.00 O ATOM 1200 CB GLU A 87 -4.390 -7.079 -11.524 1.00 0.00 C ATOM 1201 CG GLU A 87 -5.448 -6.698 -12.560 1.00 0.00 C ATOM 1202 CD GLU A 87 -5.764 -7.878 -13.481 1.00 0.00 C ATOM 1203 OE1 GLU A 87 -6.861 -7.939 -14.058 1.00 0.00 O ATOM 1204 OE2 GLU A 87 -4.822 -8.753 -13.589 1.00 0.00 O ATOM 0 H GLU A 87 -3.274 -7.501 -9.002 1.00 0.00 H new ATOM 0 HA GLU A 87 -5.888 -6.614 -10.082 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -3.626 -6.303 -11.477 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -3.892 -7.999 -11.830 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.357 -6.374 -12.054 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.095 -5.854 -13.153 1.00 0.00 H new ATOM 1210 N ASP A 88 -6.791 -8.859 -9.779 1.00 0.00 N ATOM 1211 CA ASP A 88 -7.376 -10.175 -9.581 1.00 0.00 C ATOM 1212 C ASP A 88 -8.624 -10.310 -10.455 1.00 0.00 C ATOM 1213 O ASP A 88 -9.580 -9.552 -10.299 1.00 0.00 O ATOM 1214 CB ASP A 88 -7.794 -10.378 -8.124 1.00 0.00 C ATOM 1215 CG ASP A 88 -8.279 -11.787 -7.781 1.00 0.00 C ATOM 1216 OD1 ASP A 88 -9.305 -11.963 -7.106 1.00 0.00 O ATOM 1217 OD2 ASP A 88 -7.546 -12.744 -8.242 1.00 0.00 O ATOM 0 H ASP A 88 -7.461 -8.090 -9.778 1.00 0.00 H new ATOM 0 HA ASP A 88 -6.627 -10.921 -9.848 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -6.948 -10.135 -7.482 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -8.588 -9.669 -7.887 1.00 0.00 H new ATOM 1222 N ARG A 89 -8.575 -11.280 -11.356 1.00 0.00 N ATOM 1223 CA ARG A 89 -9.690 -11.525 -12.255 1.00 0.00 C ATOM 1224 C ARG A 89 -10.004 -13.021 -12.317 1.00 0.00 C ATOM 1225 O ARG A 89 -9.096 -13.850 -12.319 1.00 0.00 O ATOM 1226 CB ARG A 89 -9.383 -11.016 -13.664 1.00 0.00 C ATOM 1227 CG ARG A 89 -8.320 -11.884 -14.341 1.00 0.00 C ATOM 1228 CD ARG A 89 -8.163 -11.507 -15.815 1.00 0.00 C ATOM 1229 NE ARG A 89 -7.615 -12.654 -16.575 1.00 0.00 N ATOM 1230 CZ ARG A 89 -8.296 -13.792 -16.822 1.00 0.00 C ATOM 1231 NH1 ARG A 89 -9.560 -13.947 -16.372 1.00 0.00 N ATOM 1232 NH2 ARG A 89 -7.709 -14.753 -17.512 1.00 0.00 N ATOM 0 H ARG A 89 -7.780 -11.906 -11.483 1.00 0.00 H new ATOM 0 HA ARG A 89 -10.554 -10.986 -11.866 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -10.294 -11.018 -14.262 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -9.037 -9.984 -13.614 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -7.366 -11.764 -13.827 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -8.597 -12.935 -14.258 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -9.128 -11.214 -16.229 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -7.500 -10.647 -15.910 1.00 0.00 H new ATOM 0 HE ARG A 89 -6.663 -12.579 -16.934 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -10.007 -13.200 -15.841 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -10.067 -14.811 -16.564 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -6.755 -14.629 -17.850 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -8.210 -15.620 -17.707 1.00 0.00 H new ATOM 1242 N LEU A 90 -11.294 -13.321 -12.364 1.00 0.00 N ATOM 1243 CA LEU A 90 -11.738 -14.702 -12.427 1.00 0.00 C ATOM 1244 C LEU A 90 -12.895 -14.818 -13.422 1.00 0.00 C ATOM 1245 O LEU A 90 -13.731 -13.919 -13.514 1.00 0.00 O ATOM 1246 CB LEU A 90 -12.078 -15.219 -11.028 1.00 0.00 C ATOM 1247 CG LEU A 90 -11.094 -16.225 -10.427 1.00 0.00 C ATOM 1248 CD1 LEU A 90 -11.352 -17.634 -10.965 1.00 0.00 C ATOM 1249 CD2 LEU A 90 -9.648 -15.781 -10.655 1.00 0.00 C ATOM 0 H LEU A 90 -12.045 -12.631 -12.360 1.00 0.00 H new ATOM 0 HA LEU A 90 -10.936 -15.343 -12.794 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -12.151 -14.365 -10.354 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -13.064 -15.682 -11.063 1.00 0.00 H new ATOM 0 HG LEU A 90 -11.255 -16.257 -9.349 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -10.639 -18.329 -10.522 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -12.366 -17.941 -10.708 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -11.235 -17.637 -12.049 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -8.969 -16.514 -10.218 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.456 -15.702 -11.725 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -9.487 -14.811 -10.185 1.00 0.00 H new ATOM 1260 N ARG A 91 -12.906 -15.930 -14.142 1.00 0.00 N ATOM 1261 CA ARG A 91 -13.946 -16.173 -15.127 1.00 0.00 C ATOM 1262 C ARG A 91 -15.318 -16.224 -14.450 1.00 0.00 C ATOM 1263 O ARG A 91 -16.347 -16.162 -15.119 1.00 0.00 O ATOM 1264 CB ARG A 91 -13.704 -17.488 -15.870 1.00 0.00 C ATOM 1265 CG ARG A 91 -14.262 -17.426 -17.293 1.00 0.00 C ATOM 1266 CD ARG A 91 -13.229 -17.915 -18.310 1.00 0.00 C ATOM 1267 NE ARG A 91 -12.362 -16.792 -18.732 1.00 0.00 N ATOM 1268 CZ ARG A 91 -11.728 -16.731 -19.921 1.00 0.00 C ATOM 1269 NH1 ARG A 91 -11.859 -17.730 -20.820 1.00 0.00 N ATOM 1270 NH2 ARG A 91 -10.977 -15.680 -20.193 1.00 0.00 N ATOM 0 H ARG A 91 -12.211 -16.673 -14.063 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.921 -15.353 -15.844 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -12.635 -17.699 -15.904 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -14.174 -18.308 -15.327 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -15.162 -18.037 -17.361 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -14.553 -16.402 -17.529 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -12.623 -18.708 -17.872 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -13.734 -18.341 -19.177 1.00 0.00 H new ATOM 0 HE ARG A 91 -12.236 -16.015 -18.083 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.441 -18.539 -20.602 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -11.376 -17.676 -21.717 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -10.883 -14.930 -19.509 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.491 -15.618 -21.088 1.00 0.00 H new ATOM 1280 N PHE A 92 -15.286 -16.335 -13.130 1.00 0.00 N ATOM 1281 CA PHE A 92 -16.514 -16.394 -12.355 1.00 0.00 C ATOM 1282 C PHE A 92 -17.203 -15.029 -12.315 1.00 0.00 C ATOM 1283 O PHE A 92 -18.330 -14.912 -11.835 1.00 0.00 O ATOM 1284 CB PHE A 92 -16.125 -16.797 -10.931 1.00 0.00 C ATOM 1285 CG PHE A 92 -16.326 -18.283 -10.628 1.00 0.00 C ATOM 1286 CD1 PHE A 92 -15.549 -19.214 -11.244 1.00 0.00 C ATOM 1287 CD2 PHE A 92 -17.282 -18.673 -9.742 1.00 0.00 C ATOM 1288 CE1 PHE A 92 -15.735 -20.593 -10.964 1.00 0.00 C ATOM 1289 CE2 PHE A 92 -17.467 -20.053 -9.462 1.00 0.00 C ATOM 1290 CZ PHE A 92 -16.690 -20.983 -10.078 1.00 0.00 C ATOM 0 H PHE A 92 -14.430 -16.386 -12.578 1.00 0.00 H new ATOM 0 HA PHE A 92 -17.205 -17.107 -12.806 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.079 -16.541 -10.765 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -16.712 -16.210 -10.225 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -14.790 -18.904 -11.947 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -17.899 -17.934 -9.252 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -15.119 -21.332 -11.454 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -18.226 -20.364 -8.759 1.00 0.00 H new ATOM 0 HZ PHE A 92 -16.831 -22.032 -9.864 1.00 0.00 H new ATOM 1299 N TYR A 93 -16.498 -14.030 -12.826 1.00 0.00 N ATOM 1300 CA TYR A 93 -17.029 -12.677 -12.855 1.00 0.00 C ATOM 1301 C TYR A 93 -17.492 -12.300 -14.263 1.00 0.00 C ATOM 1302 O TYR A 93 -16.805 -12.581 -15.244 1.00 0.00 O ATOM 1303 CB TYR A 93 -15.871 -11.762 -12.451 1.00 0.00 C ATOM 1304 CG TYR A 93 -15.731 -11.567 -10.940 1.00 0.00 C ATOM 1305 CD1 TYR A 93 -15.238 -12.590 -10.154 1.00 0.00 C ATOM 1306 CD2 TYR A 93 -16.096 -10.368 -10.362 1.00 0.00 C ATOM 1307 CE1 TYR A 93 -15.107 -12.406 -8.732 1.00 0.00 C ATOM 1308 CE2 TYR A 93 -15.964 -10.184 -8.940 1.00 0.00 C ATOM 1309 CZ TYR A 93 -15.476 -11.212 -8.195 1.00 0.00 C ATOM 1310 OH TYR A 93 -15.351 -11.039 -6.852 1.00 0.00 O ATOM 0 H TYR A 93 -15.564 -14.130 -13.223 1.00 0.00 H new ATOM 0 HA TYR A 93 -17.887 -12.587 -12.188 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -14.941 -12.176 -12.841 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -16.009 -10.789 -12.922 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -14.951 -13.528 -10.606 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -16.481 -9.568 -10.976 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -14.724 -13.198 -8.106 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.246 -9.251 -8.475 1.00 0.00 H new ATOM 0 HH TYR A 93 -15.651 -10.138 -6.609 1.00 0.00 H new ATOM 1319 N VAL A 94 -18.657 -11.671 -14.320 1.00 0.00 N ATOM 1320 CA VAL A 94 -19.221 -11.253 -15.591 1.00 0.00 C ATOM 1321 C VAL A 94 -18.999 -9.750 -15.774 1.00 0.00 C ATOM 1322 O VAL A 94 -19.266 -9.205 -16.844 1.00 0.00 O ATOM 1323 CB VAL A 94 -20.697 -11.653 -15.666 1.00 0.00 C ATOM 1324 CG1 VAL A 94 -21.541 -10.813 -14.704 1.00 0.00 C ATOM 1325 CG2 VAL A 94 -21.223 -11.541 -17.098 1.00 0.00 C ATOM 0 H VAL A 94 -19.226 -11.441 -13.505 1.00 0.00 H new ATOM 0 HA VAL A 94 -18.719 -11.758 -16.416 1.00 0.00 H new ATOM 0 HB VAL A 94 -20.778 -12.696 -15.360 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -22.585 -11.116 -14.776 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -21.189 -10.965 -13.684 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -21.451 -9.759 -14.966 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -22.273 -11.831 -17.123 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -21.122 -10.512 -17.443 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -20.649 -12.200 -17.749 1.00 0.00 H new ATOM 1335 N LYS A 95 -18.513 -9.124 -14.713 1.00 0.00 N ATOM 1336 CA LYS A 95 -18.251 -7.694 -14.742 1.00 0.00 C ATOM 1337 C LYS A 95 -16.810 -7.453 -15.194 1.00 0.00 C ATOM 1338 O LYS A 95 -16.556 -6.603 -16.047 1.00 0.00 O ATOM 1339 CB LYS A 95 -18.586 -7.060 -13.390 1.00 0.00 C ATOM 1340 CG LYS A 95 -18.168 -5.589 -13.357 1.00 0.00 C ATOM 1341 CD LYS A 95 -18.154 -5.055 -11.923 1.00 0.00 C ATOM 1342 CE LYS A 95 -17.877 -3.551 -11.900 1.00 0.00 C ATOM 1343 NZ LYS A 95 -19.010 -2.806 -12.493 1.00 0.00 N ATOM 0 H LYS A 95 -18.293 -9.580 -13.827 1.00 0.00 H new ATOM 0 HA LYS A 95 -18.899 -7.203 -15.468 1.00 0.00 H new ATOM 0 HB2 LYS A 95 -19.656 -7.142 -13.201 1.00 0.00 H new ATOM 0 HB3 LYS A 95 -18.079 -7.604 -12.593 1.00 0.00 H new ATOM 0 HG2 LYS A 95 -17.178 -5.479 -13.800 1.00 0.00 H new ATOM 0 HG3 LYS A 95 -18.856 -4.998 -13.962 1.00 0.00 H new ATOM 0 HD2 LYS A 95 -19.113 -5.259 -11.446 1.00 0.00 H new ATOM 0 HD3 LYS A 95 -17.392 -5.577 -11.344 1.00 0.00 H new ATOM 0 HE2 LYS A 95 -17.714 -3.221 -10.874 1.00 0.00 H new ATOM 0 HE3 LYS A 95 -16.963 -3.335 -12.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 95 -18.949 -1.805 -12.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 95 -18.972 -2.884 -13.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 95 -19.906 -3.205 -12.149 1.00 0.00 H new ATOM 1352 N PHE A 96 -15.902 -8.217 -14.604 1.00 0.00 N ATOM 1353 CA PHE A 96 -14.492 -8.097 -14.935 1.00 0.00 C ATOM 1354 C PHE A 96 -13.969 -6.698 -14.604 1.00 0.00 C ATOM 1355 O PHE A 96 -13.773 -5.877 -15.498 1.00 0.00 O ATOM 1356 CB PHE A 96 -14.366 -8.333 -16.442 1.00 0.00 C ATOM 1357 CG PHE A 96 -15.093 -9.583 -16.939 1.00 0.00 C ATOM 1358 CD1 PHE A 96 -14.451 -10.782 -16.958 1.00 0.00 C ATOM 1359 CD2 PHE A 96 -16.383 -9.496 -17.362 1.00 0.00 C ATOM 1360 CE1 PHE A 96 -15.126 -11.943 -17.420 1.00 0.00 C ATOM 1361 CE2 PHE A 96 -17.058 -10.657 -17.825 1.00 0.00 C ATOM 1362 CZ PHE A 96 -16.416 -11.855 -17.843 1.00 0.00 C ATOM 0 H PHE A 96 -16.116 -8.922 -13.898 1.00 0.00 H new ATOM 0 HA PHE A 96 -13.911 -8.818 -14.360 1.00 0.00 H new ATOM 0 HB2 PHE A 96 -14.758 -7.463 -16.970 1.00 0.00 H new ATOM 0 HB3 PHE A 96 -13.310 -8.413 -16.700 1.00 0.00 H new ATOM 0 HD1 PHE A 96 -13.427 -10.851 -16.621 1.00 0.00 H new ATOM 0 HD2 PHE A 96 -16.894 -8.545 -17.346 1.00 0.00 H new ATOM 0 HE1 PHE A 96 -14.616 -12.895 -17.436 1.00 0.00 H new ATOM 0 HE2 PHE A 96 -18.081 -10.588 -18.163 1.00 0.00 H new ATOM 0 HZ PHE A 96 -16.930 -12.738 -18.193 1.00 0.00 H new ATOM 1371 N GLY A 97 -13.756 -6.470 -13.316 1.00 0.00 N ATOM 1372 CA GLY A 97 -13.259 -5.184 -12.856 1.00 0.00 C ATOM 1373 C GLY A 97 -11.752 -5.243 -12.592 1.00 0.00 C ATOM 1374 O GLY A 97 -11.312 -5.865 -11.627 1.00 0.00 O ATOM 0 H GLY A 97 -13.918 -7.154 -12.577 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -13.472 -4.419 -13.603 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -13.781 -4.893 -11.944 1.00 0.00 H new ATOM 1378 N PRO A 98 -10.986 -4.568 -13.490 1.00 0.00 N ATOM 1379 CA PRO A 98 -9.539 -4.536 -13.364 1.00 0.00 C ATOM 1380 C PRO A 98 -9.107 -3.597 -12.236 1.00 0.00 C ATOM 1381 O PRO A 98 -9.740 -2.568 -12.004 1.00 0.00 O ATOM 1382 CB PRO A 98 -9.034 -4.099 -14.729 1.00 0.00 C ATOM 1383 CG PRO A 98 -10.222 -3.455 -15.425 1.00 0.00 C ATOM 1384 CD PRO A 98 -11.473 -3.820 -14.644 1.00 0.00 C ATOM 0 HA PRO A 98 -9.119 -5.504 -13.091 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -8.208 -3.394 -14.633 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -8.662 -4.950 -15.299 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -10.100 -2.373 -15.466 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -10.298 -3.806 -16.454 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -12.021 -2.930 -14.336 1.00 0.00 H new ATOM 0 HD3 PRO A 98 -12.154 -4.421 -15.246 1.00 0.00 H new ATOM 1389 N GLY A 99 -8.032 -3.983 -11.566 1.00 0.00 N ATOM 1390 CA GLY A 99 -7.508 -3.188 -10.468 1.00 0.00 C ATOM 1391 C GLY A 99 -6.139 -2.604 -10.819 1.00 0.00 C ATOM 1392 O GLY A 99 -5.118 -3.040 -10.288 1.00 0.00 O ATOM 0 H GLY A 99 -7.509 -4.836 -11.762 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -8.203 -2.381 -10.235 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -7.425 -3.806 -9.574 1.00 0.00 H new ATOM 1396 N ALA A 100 -6.160 -1.624 -11.712 1.00 0.00 N ATOM 1397 CA ALA A 100 -4.932 -0.975 -12.140 1.00 0.00 C ATOM 1398 C ALA A 100 -4.770 0.347 -11.387 1.00 0.00 C ATOM 1399 O ALA A 100 -5.688 0.791 -10.699 1.00 0.00 O ATOM 1400 CB ALA A 100 -4.959 -0.783 -13.657 1.00 0.00 C ATOM 0 H ALA A 100 -7.008 -1.264 -12.150 1.00 0.00 H new ATOM 0 HA ALA A 100 -4.067 -1.596 -11.905 1.00 0.00 H new ATOM 0 HB1 ALA A 100 -4.038 -0.296 -13.979 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -5.046 -1.754 -14.145 1.00 0.00 H new ATOM 0 HB3 ALA A 100 -5.812 -0.162 -13.930 1.00 0.00 H new ATOM 1406 N VAL A 101 -3.596 0.941 -11.544 1.00 0.00 N ATOM 1407 CA VAL A 101 -3.302 2.203 -10.889 1.00 0.00 C ATOM 1408 C VAL A 101 -4.235 3.286 -11.435 1.00 0.00 C ATOM 1409 O VAL A 101 -4.725 4.126 -10.681 1.00 0.00 O ATOM 1410 CB VAL A 101 -1.821 2.548 -11.059 1.00 0.00 C ATOM 1411 CG1 VAL A 101 -1.439 2.614 -12.539 1.00 0.00 C ATOM 1412 CG2 VAL A 101 -1.478 3.857 -10.345 1.00 0.00 C ATOM 0 H VAL A 101 -2.837 0.571 -12.116 1.00 0.00 H new ATOM 0 HA VAL A 101 -3.484 2.128 -9.817 1.00 0.00 H new ATOM 0 HB VAL A 101 -1.237 1.752 -10.598 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -0.381 2.861 -12.631 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -1.628 1.648 -13.007 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -2.035 3.380 -13.035 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -0.420 4.079 -10.481 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -2.076 4.667 -10.763 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -1.694 3.759 -9.281 1.00 0.00 H new ATOM 1422 N ILE A 102 -4.451 3.232 -12.741 1.00 0.00 N ATOM 1423 CA ILE A 102 -5.316 4.198 -13.397 1.00 0.00 C ATOM 1424 C ILE A 102 -6.747 4.024 -12.885 1.00 0.00 C ATOM 1425 O ILE A 102 -7.458 5.006 -12.674 1.00 0.00 O ATOM 1426 CB ILE A 102 -5.190 4.084 -14.918 1.00 0.00 C ATOM 1427 CG1 ILE A 102 -5.238 5.465 -15.576 1.00 0.00 C ATOM 1428 CG2 ILE A 102 -6.250 3.140 -15.488 1.00 0.00 C ATOM 1429 CD1 ILE A 102 -3.866 5.858 -16.127 1.00 0.00 C ATOM 0 H ILE A 102 -4.042 2.534 -13.363 1.00 0.00 H new ATOM 0 HA ILE A 102 -5.009 5.214 -13.150 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.217 3.650 -15.149 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -5.971 5.462 -16.383 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -5.568 6.207 -14.849 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.137 3.078 -16.570 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.126 2.148 -15.052 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -7.243 3.520 -15.248 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -3.928 6.843 -16.589 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -3.141 5.884 -15.313 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.550 5.127 -16.872 1.00 0.00 H new ATOM 1440 N LYS A 103 -7.127 2.769 -12.698 1.00 0.00 N ATOM 1441 CA LYS A 103 -8.461 2.455 -12.214 1.00 0.00 C ATOM 1442 C LYS A 103 -8.622 2.992 -10.791 1.00 0.00 C ATOM 1443 O LYS A 103 -9.550 3.750 -10.511 1.00 0.00 O ATOM 1444 CB LYS A 103 -8.737 0.955 -12.340 1.00 0.00 C ATOM 1445 CG LYS A 103 -9.930 0.693 -13.261 1.00 0.00 C ATOM 1446 CD LYS A 103 -9.741 1.384 -14.614 1.00 0.00 C ATOM 1447 CE LYS A 103 -9.588 0.356 -15.738 1.00 0.00 C ATOM 1448 NZ LYS A 103 -8.275 -0.320 -15.648 1.00 0.00 N ATOM 0 H LYS A 103 -6.535 1.957 -12.873 1.00 0.00 H new ATOM 0 HA LYS A 103 -9.215 2.947 -12.828 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -7.853 0.451 -12.731 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -8.934 0.534 -11.354 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -10.050 -0.380 -13.410 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -10.844 1.053 -12.789 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -10.596 2.029 -14.820 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -8.860 2.024 -14.579 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -10.388 -0.381 -15.675 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -9.684 0.849 -16.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -8.188 -1.014 -16.418 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -7.515 0.385 -15.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.197 -0.807 -14.733 1.00 0.00 H new ATOM 1457 N GLU A 104 -7.704 2.578 -9.930 1.00 0.00 N ATOM 1458 CA GLU A 104 -7.734 3.009 -8.541 1.00 0.00 C ATOM 1459 C GLU A 104 -7.690 4.536 -8.458 1.00 0.00 C ATOM 1460 O GLU A 104 -8.319 5.131 -7.586 1.00 0.00 O ATOM 1461 CB GLU A 104 -6.584 2.383 -7.749 1.00 0.00 C ATOM 1462 CG GLU A 104 -5.410 3.357 -7.625 1.00 0.00 C ATOM 1463 CD GLU A 104 -4.127 2.621 -7.231 1.00 0.00 C ATOM 1464 OE1 GLU A 104 -3.927 1.465 -7.631 1.00 0.00 O ATOM 1465 OE2 GLU A 104 -3.321 3.295 -6.481 1.00 0.00 O ATOM 0 H GLU A 104 -6.936 1.950 -10.166 1.00 0.00 H new ATOM 0 HA GLU A 104 -8.668 2.668 -8.094 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.933 2.100 -6.756 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -6.253 1.469 -8.243 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.260 3.875 -8.573 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.641 4.118 -6.879 1.00 0.00 H new ATOM 1471 N PHE A 105 -6.939 5.126 -9.378 1.00 0.00 N ATOM 1472 CA PHE A 105 -6.805 6.572 -9.419 1.00 0.00 C ATOM 1473 C PHE A 105 -8.177 7.250 -9.413 1.00 0.00 C ATOM 1474 O PHE A 105 -8.342 8.319 -8.828 1.00 0.00 O ATOM 1475 CB PHE A 105 -6.085 6.917 -10.724 1.00 0.00 C ATOM 1476 CG PHE A 105 -6.703 8.093 -11.483 1.00 0.00 C ATOM 1477 CD1 PHE A 105 -7.860 7.922 -12.176 1.00 0.00 C ATOM 1478 CD2 PHE A 105 -6.093 9.308 -11.466 1.00 0.00 C ATOM 1479 CE1 PHE A 105 -8.434 9.014 -12.880 1.00 0.00 C ATOM 1480 CE2 PHE A 105 -6.666 10.400 -12.171 1.00 0.00 C ATOM 1481 CZ PHE A 105 -7.824 10.230 -12.863 1.00 0.00 C ATOM 0 H PHE A 105 -6.418 4.629 -10.100 1.00 0.00 H new ATOM 0 HA PHE A 105 -6.254 6.920 -8.545 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -5.043 7.148 -10.502 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -6.086 6.040 -11.371 1.00 0.00 H new ATOM 0 HD1 PHE A 105 -8.343 6.956 -12.191 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -5.173 9.443 -10.917 1.00 0.00 H new ATOM 0 HE1 PHE A 105 -9.354 8.879 -13.429 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -6.182 11.365 -12.157 1.00 0.00 H new ATOM 0 HZ PHE A 105 -8.260 11.060 -13.399 1.00 0.00 H new ATOM 1490 N LYS A 106 -9.126 6.600 -10.070 1.00 0.00 N ATOM 1491 CA LYS A 106 -10.478 7.127 -10.147 1.00 0.00 C ATOM 1492 C LYS A 106 -10.992 7.410 -8.735 1.00 0.00 C ATOM 1493 O LYS A 106 -11.900 8.220 -8.551 1.00 0.00 O ATOM 1494 CB LYS A 106 -11.375 6.183 -10.951 1.00 0.00 C ATOM 1495 CG LYS A 106 -12.588 5.746 -10.126 1.00 0.00 C ATOM 1496 CD LYS A 106 -12.505 4.260 -9.774 1.00 0.00 C ATOM 1497 CE LYS A 106 -13.850 3.567 -10.003 1.00 0.00 C ATOM 1498 NZ LYS A 106 -14.479 3.218 -8.710 1.00 0.00 N ATOM 0 H LYS A 106 -8.986 5.713 -10.554 1.00 0.00 H new ATOM 0 HA LYS A 106 -10.488 8.075 -10.685 1.00 0.00 H new ATOM 0 HB2 LYS A 106 -11.710 6.681 -11.861 1.00 0.00 H new ATOM 0 HB3 LYS A 106 -10.804 5.307 -11.258 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -12.643 6.337 -9.212 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -13.502 5.940 -10.686 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -11.737 3.781 -10.381 1.00 0.00 H new ATOM 0 HD3 LYS A 106 -12.205 4.145 -8.732 1.00 0.00 H new ATOM 0 HE2 LYS A 106 -14.511 4.222 -10.571 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -13.705 2.666 -10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 -15.391 2.749 -8.883 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -13.854 2.576 -8.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 -14.635 4.084 -8.155 1.00 0.00 H new ATOM 1507 N ILE A 107 -10.389 6.728 -7.772 1.00 0.00 N ATOM 1508 CA ILE A 107 -10.775 6.896 -6.381 1.00 0.00 C ATOM 1509 C ILE A 107 -11.178 8.352 -6.141 1.00 0.00 C ATOM 1510 O ILE A 107 -12.130 8.624 -5.411 1.00 0.00 O ATOM 1511 CB ILE A 107 -9.661 6.405 -5.453 1.00 0.00 C ATOM 1512 CG1 ILE A 107 -10.137 6.364 -4.000 1.00 0.00 C ATOM 1513 CG2 ILE A 107 -8.396 7.250 -5.619 1.00 0.00 C ATOM 1514 CD1 ILE A 107 -9.979 7.732 -3.333 1.00 0.00 C ATOM 0 H ILE A 107 -9.636 6.058 -7.928 1.00 0.00 H new ATOM 0 HA ILE A 107 -11.645 6.282 -6.150 1.00 0.00 H new ATOM 0 HB ILE A 107 -9.405 5.384 -5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 107 -11.182 6.057 -3.964 1.00 0.00 H new ATOM 0 HG13 ILE A 107 -9.566 5.618 -3.447 1.00 0.00 H new ATOM 0 HG21 ILE A 107 -7.621 6.880 -4.948 1.00 0.00 H new ATOM 0 HG22 ILE A 107 -8.047 7.184 -6.649 1.00 0.00 H new ATOM 0 HG23 ILE A 107 -8.618 8.289 -5.378 1.00 0.00 H new ATOM 0 HD11 ILE A 107 -10.325 7.676 -2.301 1.00 0.00 H new ATOM 0 HD12 ILE A 107 -8.929 8.025 -3.349 1.00 0.00 H new ATOM 0 HD13 ILE A 107 -10.570 8.471 -3.874 1.00 0.00 H new ATOM 1525 N THR A 108 -10.432 9.250 -6.768 1.00 0.00 N ATOM 1526 CA THR A 108 -10.700 10.672 -6.631 1.00 0.00 C ATOM 1527 C THR A 108 -9.985 11.457 -7.732 1.00 0.00 C ATOM 1528 O THR A 108 -10.560 12.373 -8.320 1.00 0.00 O ATOM 1529 CB THR A 108 -10.292 11.097 -5.219 1.00 0.00 C ATOM 1530 OG1 THR A 108 -10.663 12.471 -5.149 1.00 0.00 O ATOM 1531 CG2 THR A 108 -8.773 11.111 -5.029 1.00 0.00 C ATOM 0 H THR A 108 -9.643 9.021 -7.372 1.00 0.00 H new ATOM 0 HA THR A 108 -11.761 10.888 -6.757 1.00 0.00 H new ATOM 0 HB THR A 108 -10.743 10.422 -4.492 1.00 0.00 H new ATOM 0 HG1 THR A 108 -10.435 12.827 -4.265 1.00 0.00 H new ATOM 0 HG21 THR A 108 -8.537 11.419 -4.011 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.375 10.112 -5.208 1.00 0.00 H new ATOM 0 HG23 THR A 108 -8.325 11.812 -5.733 1.00 0.00 H new ATOM 1539 N ASP A 109 -8.743 11.072 -7.979 1.00 0.00 N ATOM 1540 CA ASP A 109 -7.943 11.728 -9.000 1.00 0.00 C ATOM 1541 C ASP A 109 -8.689 11.681 -10.334 1.00 0.00 C ATOM 1542 O ASP A 109 -8.426 12.487 -11.226 1.00 0.00 O ATOM 1543 CB ASP A 109 -6.598 11.023 -9.185 1.00 0.00 C ATOM 1544 CG ASP A 109 -5.615 11.190 -8.025 1.00 0.00 C ATOM 1545 OD1 ASP A 109 -5.849 11.980 -7.099 1.00 0.00 O ATOM 1546 OD2 ASP A 109 -4.556 10.457 -8.098 1.00 0.00 O ATOM 0 H ASP A 109 -8.269 10.313 -7.489 1.00 0.00 H new ATOM 0 HA ASP A 109 -7.770 12.756 -8.683 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -6.780 9.959 -9.336 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -6.130 11.399 -10.095 1.00 0.00 H new