USER MOD reduce.3.24.130724 H: found=0, std=0, add=512, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 513 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 79 SER OG : rot -27:sc= 0.377 USER MOD Set 1.2: A 81 ASN : amide:sc= -1.49 K(o=-1.1,f=-0.23) USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.389 USER MOD Single : A 30 GLN : amide:sc= -0.0203 X(o=-0.02,f=-0.02) USER MOD Single : A 35 LYS NZ :NH3+ -169:sc= 0.25 (180deg=0.0956) USER MOD Single : A 37 TYR OH : rot 180:sc= -0.0156 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= 0.034 K(o=0.034,f=-2.5!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 52:sc= 0.29 USER MOD Single : A 67 SER OG : rot 160:sc= 0 USER MOD Single : A 69 TYR OH : rot 180:sc= -0.177 USER MOD Single : A 73 THR OG1 : rot 37:sc= 0.281 USER MOD Single : A 74 SER OG : rot 70:sc= 0.617 USER MOD Single : A 78 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 89 TYR OH : rot 180:sc= -0.0103 USER MOD Single : A 90 LYS NZ :NH3+ -160:sc= 1.1 (180deg=0.81) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A 21 3.302 -0.532 -1.242 1.00 0.00 N ATOM 2 CA HIS A 21 1.843 -0.763 -1.175 1.00 0.00 C ATOM 3 C HIS A 21 1.487 -2.004 -2.011 1.00 0.00 C ATOM 4 O HIS A 21 1.081 -3.034 -1.467 1.00 0.00 O ATOM 5 CB HIS A 21 1.076 0.494 -1.661 1.00 0.00 C ATOM 6 CG HIS A 21 -0.419 0.436 -1.458 1.00 0.00 C ATOM 7 ND1 HIS A 21 -1.048 1.007 -0.371 1.00 0.00 N ATOM 8 CD2 HIS A 21 -1.400 -0.135 -2.194 1.00 0.00 C ATOM 9 CE1 HIS A 21 -2.343 0.797 -0.453 1.00 0.00 C ATOM 10 NE2 HIS A 21 -2.581 0.105 -1.548 1.00 0.00 N ATOM 0 HA HIS A 21 1.545 -0.946 -0.143 1.00 0.00 H new ATOM 0 HB2 HIS A 21 1.467 1.367 -1.138 1.00 0.00 H new ATOM 0 HB3 HIS A 21 1.280 0.640 -2.722 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -1.274 -0.679 -3.119 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.085 1.134 0.256 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -3.501 -0.203 -1.864 1.00 0.00 H new ATOM 19 N ALA A 22 1.663 -1.881 -3.341 1.00 0.00 N ATOM 20 CA ALA A 22 1.404 -2.955 -4.319 1.00 0.00 C ATOM 21 C ALA A 22 2.133 -2.612 -5.632 1.00 0.00 C ATOM 22 O ALA A 22 2.020 -1.486 -6.125 1.00 0.00 O ATOM 23 CB ALA A 22 -0.107 -3.139 -4.555 1.00 0.00 C ATOM 0 H ALA A 22 1.995 -1.018 -3.773 1.00 0.00 H new ATOM 0 HA ALA A 22 1.782 -3.900 -3.929 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -0.268 -3.937 -5.280 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -0.593 -3.400 -3.615 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -0.531 -2.211 -4.937 1.00 0.00 H new ATOM 29 N ALA A 23 2.886 -3.583 -6.176 1.00 0.00 N ATOM 30 CA ALA A 23 3.688 -3.404 -7.403 1.00 0.00 C ATOM 31 C ALA A 23 2.793 -3.250 -8.649 1.00 0.00 C ATOM 32 O ALA A 23 1.688 -3.802 -8.704 1.00 0.00 O ATOM 33 CB ALA A 23 4.664 -4.582 -7.571 1.00 0.00 C ATOM 0 H ALA A 23 2.957 -4.519 -5.777 1.00 0.00 H new ATOM 0 HA ALA A 23 4.261 -2.482 -7.302 1.00 0.00 H new ATOM 0 HB1 ALA A 23 5.251 -4.441 -8.478 1.00 0.00 H new ATOM 0 HB2 ALA A 23 5.331 -4.627 -6.710 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.102 -5.513 -7.643 1.00 0.00 H new ATOM 39 N THR A 24 3.284 -2.484 -9.636 1.00 0.00 N ATOM 40 CA THR A 24 2.573 -2.234 -10.906 1.00 0.00 C ATOM 41 C THR A 24 2.621 -3.482 -11.807 1.00 0.00 C ATOM 42 O THR A 24 3.634 -4.192 -11.832 1.00 0.00 O ATOM 43 CB THR A 24 3.218 -1.024 -11.664 1.00 0.00 C ATOM 44 OG1 THR A 24 3.250 0.121 -10.796 1.00 0.00 O ATOM 45 CG2 THR A 24 2.473 -0.659 -12.967 1.00 0.00 C ATOM 0 H THR A 24 4.189 -2.017 -9.578 1.00 0.00 H new ATOM 0 HA THR A 24 1.534 -2.001 -10.671 1.00 0.00 H new ATOM 0 HB THR A 24 4.227 -1.326 -11.947 1.00 0.00 H new ATOM 0 HG1 THR A 24 3.655 0.878 -11.268 1.00 0.00 H new ATOM 0 HG21 THR A 24 2.968 0.186 -13.445 1.00 0.00 H new ATOM 0 HG22 THR A 24 2.482 -1.514 -13.643 1.00 0.00 H new ATOM 0 HG23 THR A 24 1.442 -0.391 -12.734 1.00 0.00 H new ATOM 53 N GLU A 25 1.517 -3.760 -12.529 1.00 0.00 N ATOM 54 CA GLU A 25 1.498 -4.812 -13.551 1.00 0.00 C ATOM 55 C GLU A 25 2.328 -4.356 -14.760 1.00 0.00 C ATOM 56 O GLU A 25 2.029 -3.319 -15.376 1.00 0.00 O ATOM 57 CB GLU A 25 0.050 -5.162 -13.979 1.00 0.00 C ATOM 58 CG GLU A 25 -0.033 -6.252 -15.073 1.00 0.00 C ATOM 59 CD GLU A 25 -1.461 -6.729 -15.330 1.00 0.00 C ATOM 60 OE1 GLU A 25 -2.168 -6.110 -16.149 1.00 0.00 O ATOM 61 OE2 GLU A 25 -1.893 -7.712 -14.691 1.00 0.00 O ATOM 0 H GLU A 25 0.630 -3.268 -12.419 1.00 0.00 H new ATOM 0 HA GLU A 25 1.935 -5.717 -13.130 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.507 -5.496 -13.104 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -0.440 -4.258 -14.342 1.00 0.00 H new ATOM 0 HG2 GLU A 25 0.387 -5.862 -16.000 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.581 -7.103 -14.778 1.00 0.00 H new ATOM 68 N LEU A 26 3.390 -5.114 -15.060 1.00 0.00 N ATOM 69 CA LEU A 26 4.281 -4.829 -16.181 1.00 0.00 C ATOM 70 C LEU A 26 3.678 -5.456 -17.445 1.00 0.00 C ATOM 71 O LEU A 26 3.479 -6.676 -17.496 1.00 0.00 O ATOM 72 CB LEU A 26 5.706 -5.382 -15.893 1.00 0.00 C ATOM 73 CG LEU A 26 6.849 -4.787 -16.769 1.00 0.00 C ATOM 74 CD1 LEU A 26 7.003 -3.259 -16.534 1.00 0.00 C ATOM 75 CD2 LEU A 26 8.181 -5.526 -16.516 1.00 0.00 C ATOM 0 H LEU A 26 3.652 -5.944 -14.528 1.00 0.00 H new ATOM 0 HA LEU A 26 4.379 -3.753 -16.326 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.943 -5.198 -14.845 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.692 -6.463 -16.032 1.00 0.00 H new ATOM 0 HG LEU A 26 6.577 -4.934 -17.814 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.808 -2.874 -17.160 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.071 -2.756 -16.792 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.238 -3.074 -15.486 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.962 -5.091 -17.140 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.458 -5.428 -15.466 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.064 -6.581 -16.763 1.00 0.00 H new ATOM 87 N THR A 27 3.374 -4.606 -18.442 1.00 0.00 N ATOM 88 CA THR A 27 2.719 -5.021 -19.687 1.00 0.00 C ATOM 89 C THR A 27 3.638 -5.976 -20.483 1.00 0.00 C ATOM 90 O THR A 27 4.850 -5.760 -20.480 1.00 0.00 O ATOM 91 CB THR A 27 2.322 -3.768 -20.552 1.00 0.00 C ATOM 92 OG1 THR A 27 3.436 -2.868 -20.656 1.00 0.00 O ATOM 93 CG2 THR A 27 1.113 -3.020 -19.962 1.00 0.00 C ATOM 0 H THR A 27 3.579 -3.607 -18.403 1.00 0.00 H new ATOM 0 HA THR A 27 1.803 -5.557 -19.437 1.00 0.00 H new ATOM 0 HB THR A 27 2.043 -4.132 -21.541 1.00 0.00 H new ATOM 0 HG1 THR A 27 3.180 -2.092 -21.197 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.874 -2.162 -20.591 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.255 -3.691 -19.921 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.353 -2.676 -18.956 1.00 0.00 H new ATOM 101 N PRO A 28 3.060 -7.048 -21.152 1.00 0.00 N ATOM 102 CA PRO A 28 3.815 -8.128 -21.855 1.00 0.00 C ATOM 103 C PRO A 28 5.066 -7.679 -22.646 1.00 0.00 C ATOM 104 O PRO A 28 6.086 -8.377 -22.653 1.00 0.00 O ATOM 105 CB PRO A 28 2.743 -8.696 -22.811 1.00 0.00 C ATOM 106 CG PRO A 28 1.452 -8.564 -22.065 1.00 0.00 C ATOM 107 CD PRO A 28 1.586 -7.306 -21.223 1.00 0.00 C ATOM 0 HA PRO A 28 4.240 -8.830 -21.138 1.00 0.00 H new ATOM 0 HB2 PRO A 28 2.716 -8.141 -23.749 1.00 0.00 H new ATOM 0 HB3 PRO A 28 2.949 -9.736 -23.062 1.00 0.00 H new ATOM 0 HG2 PRO A 28 0.610 -8.486 -22.752 1.00 0.00 H new ATOM 0 HG3 PRO A 28 1.272 -9.437 -21.438 1.00 0.00 H new ATOM 0 HD2 PRO A 28 1.059 -6.467 -21.678 1.00 0.00 H new ATOM 0 HD3 PRO A 28 1.161 -7.448 -20.229 1.00 0.00 H new ATOM 115 N GLU A 29 4.965 -6.519 -23.321 1.00 0.00 N ATOM 116 CA GLU A 29 6.039 -5.988 -24.186 1.00 0.00 C ATOM 117 C GLU A 29 7.209 -5.456 -23.325 1.00 0.00 C ATOM 118 O GLU A 29 8.381 -5.662 -23.663 1.00 0.00 O ATOM 119 CB GLU A 29 5.491 -4.878 -25.133 1.00 0.00 C ATOM 120 CG GLU A 29 4.129 -5.194 -25.806 1.00 0.00 C ATOM 121 CD GLU A 29 4.078 -6.551 -26.540 1.00 0.00 C ATOM 122 OE1 GLU A 29 4.540 -6.627 -27.696 1.00 0.00 O ATOM 123 OE2 GLU A 29 3.576 -7.541 -25.960 1.00 0.00 O ATOM 0 H GLU A 29 4.138 -5.923 -23.283 1.00 0.00 H new ATOM 0 HA GLU A 29 6.414 -6.800 -24.809 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.390 -3.954 -24.563 1.00 0.00 H new ATOM 0 HB3 GLU A 29 6.229 -4.692 -25.913 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.349 -5.177 -25.045 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.897 -4.401 -26.517 1.00 0.00 H new ATOM 130 N GLN A 30 6.868 -4.781 -22.210 1.00 0.00 N ATOM 131 CA GLN A 30 7.855 -4.274 -21.232 1.00 0.00 C ATOM 132 C GLN A 30 8.501 -5.447 -20.471 1.00 0.00 C ATOM 133 O GLN A 30 9.697 -5.433 -20.204 1.00 0.00 O ATOM 134 CB GLN A 30 7.203 -3.291 -20.220 1.00 0.00 C ATOM 135 CG GLN A 30 6.490 -2.078 -20.840 1.00 0.00 C ATOM 136 CD GLN A 30 7.384 -1.240 -21.749 1.00 0.00 C ATOM 137 OE1 GLN A 30 7.447 -1.462 -22.962 1.00 0.00 O ATOM 138 NE2 GLN A 30 8.085 -0.278 -21.178 1.00 0.00 N ATOM 0 H GLN A 30 5.902 -4.571 -21.961 1.00 0.00 H new ATOM 0 HA GLN A 30 8.621 -3.733 -21.787 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.483 -3.844 -19.616 1.00 0.00 H new ATOM 0 HB3 GLN A 30 7.976 -2.929 -19.543 1.00 0.00 H new ATOM 0 HG2 GLN A 30 5.630 -2.426 -21.412 1.00 0.00 H new ATOM 0 HG3 GLN A 30 6.106 -1.445 -20.040 1.00 0.00 H new ATOM 0 HE21 GLN A 30 8.010 -0.120 -20.173 1.00 0.00 H new ATOM 0 HE22 GLN A 30 8.701 0.308 -21.742 1.00 0.00 H new ATOM 147 N ALA A 31 7.677 -6.463 -20.158 1.00 0.00 N ATOM 148 CA ALA A 31 8.106 -7.708 -19.481 1.00 0.00 C ATOM 149 C ALA A 31 9.072 -8.520 -20.368 1.00 0.00 C ATOM 150 O ALA A 31 9.942 -9.239 -19.863 1.00 0.00 O ATOM 151 CB ALA A 31 6.869 -8.539 -19.098 1.00 0.00 C ATOM 0 H ALA A 31 6.679 -6.446 -20.370 1.00 0.00 H new ATOM 0 HA ALA A 31 8.648 -7.446 -18.572 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.186 -9.455 -18.600 1.00 0.00 H new ATOM 0 HB2 ALA A 31 6.236 -7.960 -18.425 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.307 -8.791 -19.997 1.00 0.00 H new ATOM 157 N ALA A 32 8.894 -8.382 -21.694 1.00 0.00 N ATOM 158 CA ALA A 32 9.772 -8.999 -22.703 1.00 0.00 C ATOM 159 C ALA A 32 11.098 -8.215 -22.832 1.00 0.00 C ATOM 160 O ALA A 32 12.137 -8.796 -23.159 1.00 0.00 O ATOM 161 CB ALA A 32 9.044 -9.073 -24.057 1.00 0.00 C ATOM 0 H ALA A 32 8.133 -7.836 -22.097 1.00 0.00 H new ATOM 0 HA ALA A 32 10.016 -10.012 -22.382 1.00 0.00 H new ATOM 0 HB1 ALA A 32 9.700 -9.530 -24.798 1.00 0.00 H new ATOM 0 HB2 ALA A 32 8.140 -9.674 -23.952 1.00 0.00 H new ATOM 0 HB3 ALA A 32 8.776 -8.068 -24.381 1.00 0.00 H new ATOM 167 N ALA A 33 11.040 -6.895 -22.566 1.00 0.00 N ATOM 168 CA ALA A 33 12.203 -5.984 -22.703 1.00 0.00 C ATOM 169 C ALA A 33 12.994 -5.839 -21.385 1.00 0.00 C ATOM 170 O ALA A 33 14.130 -5.355 -21.399 1.00 0.00 O ATOM 171 CB ALA A 33 11.725 -4.609 -23.205 1.00 0.00 C ATOM 0 H ALA A 33 10.190 -6.428 -22.251 1.00 0.00 H new ATOM 0 HA ALA A 33 12.886 -6.422 -23.431 1.00 0.00 H new ATOM 0 HB1 ALA A 33 12.580 -3.941 -23.305 1.00 0.00 H new ATOM 0 HB2 ALA A 33 11.239 -4.724 -24.174 1.00 0.00 H new ATOM 0 HB3 ALA A 33 11.017 -4.187 -22.492 1.00 0.00 H new ATOM 177 N LEU A 34 12.388 -6.243 -20.254 1.00 0.00 N ATOM 178 CA LEU A 34 13.007 -6.146 -18.907 1.00 0.00 C ATOM 179 C LEU A 34 13.230 -7.546 -18.326 1.00 0.00 C ATOM 180 O LEU A 34 12.407 -8.442 -18.525 1.00 0.00 O ATOM 181 CB LEU A 34 12.108 -5.301 -17.957 1.00 0.00 C ATOM 182 CG LEU A 34 11.919 -3.798 -18.358 1.00 0.00 C ATOM 183 CD1 LEU A 34 10.953 -3.070 -17.395 1.00 0.00 C ATOM 184 CD2 LEU A 34 13.280 -3.061 -18.453 1.00 0.00 C ATOM 0 H LEU A 34 11.452 -6.648 -20.242 1.00 0.00 H new ATOM 0 HA LEU A 34 13.973 -5.649 -19.001 1.00 0.00 H new ATOM 0 HB2 LEU A 34 11.125 -5.770 -17.904 1.00 0.00 H new ATOM 0 HB3 LEU A 34 12.534 -5.340 -16.954 1.00 0.00 H new ATOM 0 HG LEU A 34 11.466 -3.782 -19.349 1.00 0.00 H new ATOM 0 HD11 LEU A 34 10.846 -2.030 -17.704 1.00 0.00 H new ATOM 0 HD12 LEU A 34 9.979 -3.558 -17.420 1.00 0.00 H new ATOM 0 HD13 LEU A 34 11.352 -3.108 -16.381 1.00 0.00 H new ATOM 0 HD21 LEU A 34 13.112 -2.021 -18.733 1.00 0.00 H new ATOM 0 HD22 LEU A 34 13.783 -3.100 -17.487 1.00 0.00 H new ATOM 0 HD23 LEU A 34 13.903 -3.543 -19.206 1.00 0.00 H new ATOM 196 N LYS A 35 14.343 -7.707 -17.597 1.00 0.00 N ATOM 197 CA LYS A 35 14.721 -8.979 -16.965 1.00 0.00 C ATOM 198 C LYS A 35 14.184 -9.033 -15.510 1.00 0.00 C ATOM 199 O LYS A 35 14.328 -8.046 -14.771 1.00 0.00 O ATOM 200 CB LYS A 35 16.267 -9.144 -16.976 1.00 0.00 C ATOM 201 CG LYS A 35 16.769 -10.442 -16.299 1.00 0.00 C ATOM 202 CD LYS A 35 18.307 -10.570 -16.279 1.00 0.00 C ATOM 203 CE LYS A 35 18.774 -11.806 -15.490 1.00 0.00 C ATOM 204 NZ LYS A 35 18.326 -11.758 -14.070 1.00 0.00 N ATOM 0 H LYS A 35 15.010 -6.954 -17.428 1.00 0.00 H new ATOM 0 HA LYS A 35 14.279 -9.799 -17.531 1.00 0.00 H new ATOM 0 HB2 LYS A 35 16.616 -9.127 -18.008 1.00 0.00 H new ATOM 0 HB3 LYS A 35 16.717 -8.288 -16.473 1.00 0.00 H new ATOM 0 HG2 LYS A 35 16.396 -10.476 -15.275 1.00 0.00 H new ATOM 0 HG3 LYS A 35 16.347 -11.301 -16.821 1.00 0.00 H new ATOM 0 HD2 LYS A 35 18.679 -10.631 -17.302 1.00 0.00 H new ATOM 0 HD3 LYS A 35 18.739 -9.673 -15.836 1.00 0.00 H new ATOM 0 HE2 LYS A 35 18.385 -12.708 -15.963 1.00 0.00 H new ATOM 0 HE3 LYS A 35 19.861 -11.871 -15.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 18.810 -12.502 -13.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 18.557 -10.829 -13.664 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 17.298 -11.909 -14.025 1.00 0.00 H new ATOM 218 N PRO A 36 13.537 -10.168 -15.081 1.00 0.00 N ATOM 219 CA PRO A 36 13.191 -10.395 -13.665 1.00 0.00 C ATOM 220 C PRO A 36 14.410 -10.879 -12.854 1.00 0.00 C ATOM 221 O PRO A 36 15.348 -11.482 -13.407 1.00 0.00 O ATOM 222 CB PRO A 36 12.090 -11.471 -13.743 1.00 0.00 C ATOM 223 CG PRO A 36 12.447 -12.277 -14.957 1.00 0.00 C ATOM 224 CD PRO A 36 13.069 -11.298 -15.942 1.00 0.00 C ATOM 0 HA PRO A 36 12.863 -9.490 -13.154 1.00 0.00 H new ATOM 0 HB2 PRO A 36 12.073 -12.089 -12.845 1.00 0.00 H new ATOM 0 HB3 PRO A 36 11.101 -11.023 -13.840 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.147 -13.074 -14.704 1.00 0.00 H new ATOM 0 HG3 PRO A 36 11.564 -12.752 -15.384 1.00 0.00 H new ATOM 0 HD2 PRO A 36 13.895 -11.752 -16.489 1.00 0.00 H new ATOM 0 HD3 PRO A 36 12.344 -10.962 -16.683 1.00 0.00 H new ATOM 232 N TYR A 37 14.394 -10.597 -11.545 1.00 0.00 N ATOM 233 CA TYR A 37 15.473 -11.010 -10.625 1.00 0.00 C ATOM 234 C TYR A 37 15.066 -12.282 -9.865 1.00 0.00 C ATOM 235 O TYR A 37 15.910 -13.122 -9.543 1.00 0.00 O ATOM 236 CB TYR A 37 15.843 -9.860 -9.638 1.00 0.00 C ATOM 237 CG TYR A 37 14.807 -9.557 -8.530 1.00 0.00 C ATOM 238 CD1 TYR A 37 13.541 -9.055 -8.838 1.00 0.00 C ATOM 239 CD2 TYR A 37 15.110 -9.751 -7.174 1.00 0.00 C ATOM 240 CE1 TYR A 37 12.624 -8.770 -7.851 1.00 0.00 C ATOM 241 CE2 TYR A 37 14.186 -9.468 -6.185 1.00 0.00 C ATOM 242 CZ TYR A 37 12.950 -8.977 -6.529 1.00 0.00 C ATOM 243 OH TYR A 37 12.034 -8.676 -5.547 1.00 0.00 O ATOM 0 H TYR A 37 13.641 -10.080 -11.092 1.00 0.00 H new ATOM 0 HA TYR A 37 16.362 -11.232 -11.216 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.792 -10.108 -9.162 1.00 0.00 H new ATOM 0 HB3 TYR A 37 16.004 -8.950 -10.216 1.00 0.00 H new ATOM 0 HD1 TYR A 37 13.276 -8.887 -9.871 1.00 0.00 H new ATOM 0 HD2 TYR A 37 16.083 -10.129 -6.897 1.00 0.00 H new ATOM 0 HE1 TYR A 37 11.650 -8.384 -8.113 1.00 0.00 H new ATOM 0 HE2 TYR A 37 14.435 -9.632 -5.147 1.00 0.00 H new ATOM 0 HH TYR A 37 12.417 -8.880 -4.668 1.00 0.00 H new ATOM 253 N ASP A 38 13.759 -12.406 -9.599 1.00 0.00 N ATOM 254 CA ASP A 38 13.177 -13.536 -8.859 1.00 0.00 C ATOM 255 C ASP A 38 11.800 -13.860 -9.476 1.00 0.00 C ATOM 256 O ASP A 38 11.338 -13.159 -10.389 1.00 0.00 O ATOM 257 CB ASP A 38 13.073 -13.187 -7.335 1.00 0.00 C ATOM 258 CG ASP A 38 12.859 -14.424 -6.438 1.00 0.00 C ATOM 259 OD1 ASP A 38 13.856 -15.079 -6.070 1.00 0.00 O ATOM 260 OD2 ASP A 38 11.700 -14.774 -6.136 1.00 0.00 O ATOM 0 H ASP A 38 13.067 -11.717 -9.895 1.00 0.00 H new ATOM 0 HA ASP A 38 13.813 -14.418 -8.938 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.983 -12.675 -7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 38 12.248 -12.491 -7.184 1.00 0.00 H new ATOM 265 N ARG A 39 11.177 -14.936 -8.992 1.00 0.00 N ATOM 266 CA ARG A 39 9.881 -15.419 -9.457 1.00 0.00 C ATOM 267 C ARG A 39 9.058 -15.867 -8.240 1.00 0.00 C ATOM 268 O ARG A 39 9.538 -16.664 -7.430 1.00 0.00 O ATOM 269 CB ARG A 39 10.106 -16.604 -10.427 1.00 0.00 C ATOM 270 CG ARG A 39 8.826 -17.209 -11.039 1.00 0.00 C ATOM 271 CD ARG A 39 9.127 -18.452 -11.892 1.00 0.00 C ATOM 272 NE ARG A 39 10.061 -18.169 -13.002 1.00 0.00 N ATOM 273 CZ ARG A 39 9.977 -18.683 -14.240 1.00 0.00 C ATOM 274 NH1 ARG A 39 8.955 -19.446 -14.599 1.00 0.00 N ATOM 275 NH2 ARG A 39 10.915 -18.409 -15.120 1.00 0.00 N ATOM 0 H ARG A 39 11.573 -15.509 -8.246 1.00 0.00 H new ATOM 0 HA ARG A 39 9.341 -14.631 -9.982 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.753 -16.270 -11.238 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.641 -17.391 -9.895 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.134 -17.476 -10.241 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.329 -16.459 -11.654 1.00 0.00 H new ATOM 0 HD2 ARG A 39 9.550 -19.230 -11.256 1.00 0.00 H new ATOM 0 HD3 ARG A 39 8.194 -18.844 -12.298 1.00 0.00 H new ATOM 0 HE ARG A 39 10.833 -17.530 -12.812 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.213 -19.653 -13.930 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.910 -19.827 -15.544 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.699 -17.810 -14.860 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.859 -18.795 -16.062 1.00 0.00 H new ATOM 289 N ILE A 40 7.839 -15.330 -8.095 1.00 0.00 N ATOM 290 CA ILE A 40 6.898 -15.744 -7.031 1.00 0.00 C ATOM 291 C ILE A 40 5.804 -16.660 -7.608 1.00 0.00 C ATOM 292 O ILE A 40 5.487 -16.602 -8.797 1.00 0.00 O ATOM 293 CB ILE A 40 6.248 -14.505 -6.293 1.00 0.00 C ATOM 294 CG1 ILE A 40 5.396 -13.624 -7.271 1.00 0.00 C ATOM 295 CG2 ILE A 40 7.341 -13.655 -5.586 1.00 0.00 C ATOM 296 CD1 ILE A 40 4.723 -12.426 -6.620 1.00 0.00 C ATOM 0 H ILE A 40 7.473 -14.600 -8.706 1.00 0.00 H new ATOM 0 HA ILE A 40 7.473 -16.298 -6.289 1.00 0.00 H new ATOM 0 HB ILE A 40 5.568 -14.893 -5.535 1.00 0.00 H new ATOM 0 HG12 ILE A 40 6.041 -13.269 -8.075 1.00 0.00 H new ATOM 0 HG13 ILE A 40 4.630 -14.250 -7.729 1.00 0.00 H new ATOM 0 HG21 ILE A 40 6.875 -12.807 -5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 40 7.862 -14.270 -4.852 1.00 0.00 H new ATOM 0 HG23 ILE A 40 8.054 -13.291 -6.326 1.00 0.00 H new ATOM 0 HD11 ILE A 40 4.156 -11.875 -7.370 1.00 0.00 H new ATOM 0 HD12 ILE A 40 4.049 -12.769 -5.836 1.00 0.00 H new ATOM 0 HD13 ILE A 40 5.481 -11.774 -6.187 1.00 0.00 H new ATOM 308 N VAL A 41 5.261 -17.533 -6.752 1.00 0.00 N ATOM 309 CA VAL A 41 4.122 -18.401 -7.087 1.00 0.00 C ATOM 310 C VAL A 41 3.206 -18.507 -5.858 1.00 0.00 C ATOM 311 O VAL A 41 3.677 -18.677 -4.730 1.00 0.00 O ATOM 312 CB VAL A 41 4.573 -19.837 -7.591 1.00 0.00 C ATOM 313 CG1 VAL A 41 5.449 -20.572 -6.541 1.00 0.00 C ATOM 314 CG2 VAL A 41 3.343 -20.699 -8.002 1.00 0.00 C ATOM 0 H VAL A 41 5.601 -17.659 -5.799 1.00 0.00 H new ATOM 0 HA VAL A 41 3.580 -17.952 -7.919 1.00 0.00 H new ATOM 0 HB VAL A 41 5.191 -19.689 -8.476 1.00 0.00 H new ATOM 0 HG11 VAL A 41 5.735 -21.550 -6.927 1.00 0.00 H new ATOM 0 HG12 VAL A 41 6.345 -19.985 -6.340 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.883 -20.697 -5.618 1.00 0.00 H new ATOM 0 HG21 VAL A 41 3.682 -21.677 -8.343 1.00 0.00 H new ATOM 0 HG22 VAL A 41 2.682 -20.823 -7.144 1.00 0.00 H new ATOM 0 HG23 VAL A 41 2.803 -20.201 -8.807 1.00 0.00 H new ATOM 324 N ILE A 42 1.900 -18.341 -6.088 1.00 0.00 N ATOM 325 CA ILE A 42 0.851 -18.480 -5.060 1.00 0.00 C ATOM 326 C ILE A 42 -0.065 -19.656 -5.433 1.00 0.00 C ATOM 327 O ILE A 42 -0.121 -20.051 -6.599 1.00 0.00 O ATOM 328 CB ILE A 42 -0.006 -17.159 -4.922 1.00 0.00 C ATOM 329 CG1 ILE A 42 -0.713 -16.799 -6.282 1.00 0.00 C ATOM 330 CG2 ILE A 42 0.877 -15.980 -4.415 1.00 0.00 C ATOM 331 CD1 ILE A 42 -1.672 -15.629 -6.209 1.00 0.00 C ATOM 0 H ILE A 42 1.530 -18.102 -7.008 1.00 0.00 H new ATOM 0 HA ILE A 42 1.332 -18.665 -4.100 1.00 0.00 H new ATOM 0 HB ILE A 42 -0.787 -17.336 -4.182 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.052 -16.577 -7.026 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.257 -17.675 -6.636 1.00 0.00 H new ATOM 0 HG21 ILE A 42 0.268 -15.081 -4.327 1.00 0.00 H new ATOM 0 HG22 ILE A 42 1.295 -16.232 -3.440 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.687 -15.802 -5.122 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -2.110 -15.456 -7.192 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.463 -15.851 -5.493 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.134 -14.737 -5.889 1.00 0.00 H new ATOM 343 N THR A 43 -0.753 -20.215 -4.433 1.00 0.00 N ATOM 344 CA THR A 43 -1.791 -21.242 -4.617 1.00 0.00 C ATOM 345 C THR A 43 -2.998 -20.867 -3.743 1.00 0.00 C ATOM 346 O THR A 43 -2.818 -20.401 -2.610 1.00 0.00 O ATOM 347 CB THR A 43 -1.263 -22.676 -4.245 1.00 0.00 C ATOM 348 OG1 THR A 43 -0.064 -22.949 -4.983 1.00 0.00 O ATOM 349 CG2 THR A 43 -2.291 -23.782 -4.545 1.00 0.00 C ATOM 0 H THR A 43 -0.604 -19.965 -3.455 1.00 0.00 H new ATOM 0 HA THR A 43 -2.080 -21.276 -5.668 1.00 0.00 H new ATOM 0 HB THR A 43 -1.073 -22.679 -3.172 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.267 -23.842 -4.751 1.00 0.00 H new ATOM 0 HG21 THR A 43 -1.874 -24.751 -4.269 1.00 0.00 H new ATOM 0 HG22 THR A 43 -3.199 -23.601 -3.970 1.00 0.00 H new ATOM 0 HG23 THR A 43 -2.529 -23.779 -5.609 1.00 0.00 H new ATOM 357 N GLY A 44 -4.217 -21.052 -4.280 1.00 0.00 N ATOM 358 CA GLY A 44 -5.454 -20.727 -3.569 1.00 0.00 C ATOM 359 C GLY A 44 -6.558 -21.718 -3.892 1.00 0.00 C ATOM 360 O GLY A 44 -6.656 -22.165 -5.043 1.00 0.00 O ATOM 0 H GLY A 44 -4.366 -21.430 -5.216 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.268 -20.725 -2.495 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.776 -19.721 -3.838 1.00 0.00 H new ATOM 364 N ARG A 45 -7.392 -22.057 -2.882 1.00 0.00 N ATOM 365 CA ARG A 45 -8.509 -23.004 -3.041 1.00 0.00 C ATOM 366 C ARG A 45 -9.611 -22.405 -3.939 1.00 0.00 C ATOM 367 O ARG A 45 -10.201 -23.104 -4.763 1.00 0.00 O ATOM 368 CB ARG A 45 -9.086 -23.433 -1.665 1.00 0.00 C ATOM 369 CG ARG A 45 -10.273 -24.423 -1.777 1.00 0.00 C ATOM 370 CD ARG A 45 -10.905 -24.809 -0.430 1.00 0.00 C ATOM 371 NE ARG A 45 -12.182 -25.525 -0.631 1.00 0.00 N ATOM 372 CZ ARG A 45 -12.358 -26.856 -0.601 1.00 0.00 C ATOM 373 NH1 ARG A 45 -11.371 -27.672 -0.264 1.00 0.00 N ATOM 374 NH2 ARG A 45 -13.545 -27.361 -0.888 1.00 0.00 N ATOM 0 H ARG A 45 -7.306 -21.680 -1.938 1.00 0.00 H new ATOM 0 HA ARG A 45 -8.121 -23.898 -3.529 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -8.294 -23.893 -1.074 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -9.413 -22.545 -1.124 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -11.041 -23.981 -2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -9.929 -25.329 -2.277 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -10.215 -25.439 0.132 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -11.076 -23.912 0.166 1.00 0.00 H new ATOM 0 HE ARG A 45 -13.008 -24.954 -0.809 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -10.456 -27.292 -0.021 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -11.526 -28.680 -0.248 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -14.318 -26.741 -1.130 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -13.688 -28.371 -0.868 1.00 0.00 H new ATOM 388 N PHE A 46 -9.889 -21.107 -3.745 1.00 0.00 N ATOM 389 CA PHE A 46 -10.808 -20.342 -4.598 1.00 0.00 C ATOM 390 C PHE A 46 -10.639 -18.846 -4.323 1.00 0.00 C ATOM 391 O PHE A 46 -10.565 -18.425 -3.164 1.00 0.00 O ATOM 392 CB PHE A 46 -12.295 -20.759 -4.376 1.00 0.00 C ATOM 393 CG PHE A 46 -13.273 -20.055 -5.317 1.00 0.00 C ATOM 394 CD1 PHE A 46 -13.423 -20.486 -6.637 1.00 0.00 C ATOM 395 CD2 PHE A 46 -14.019 -18.953 -4.899 1.00 0.00 C ATOM 396 CE1 PHE A 46 -14.287 -19.842 -7.499 1.00 0.00 C ATOM 397 CE2 PHE A 46 -14.881 -18.310 -5.763 1.00 0.00 C ATOM 398 CZ PHE A 46 -15.016 -18.754 -7.062 1.00 0.00 C ATOM 0 H PHE A 46 -9.481 -20.557 -2.989 1.00 0.00 H new ATOM 0 HA PHE A 46 -10.558 -20.560 -5.636 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -12.386 -21.837 -4.511 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -12.575 -20.542 -3.345 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -12.855 -21.335 -6.988 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -13.920 -18.598 -3.884 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -14.393 -20.189 -8.516 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -15.451 -17.458 -5.422 1.00 0.00 H new ATOM 0 HZ PHE A 46 -15.692 -18.251 -7.737 1.00 0.00 H new ATOM 408 N ASN A 47 -10.594 -18.060 -5.405 1.00 0.00 N ATOM 409 CA ASN A 47 -10.529 -16.599 -5.359 1.00 0.00 C ATOM 410 C ASN A 47 -11.081 -16.074 -6.706 1.00 0.00 C ATOM 411 O ASN A 47 -12.262 -16.315 -6.994 1.00 0.00 O ATOM 412 CB ASN A 47 -9.076 -16.118 -4.992 1.00 0.00 C ATOM 413 CG ASN A 47 -7.949 -16.770 -5.821 1.00 0.00 C ATOM 414 OD1 ASN A 47 -7.511 -16.239 -6.835 1.00 0.00 O ATOM 415 ND2 ASN A 47 -7.478 -17.928 -5.395 1.00 0.00 N ATOM 0 H ASN A 47 -10.602 -18.432 -6.355 1.00 0.00 H new ATOM 0 HA ASN A 47 -11.148 -16.180 -4.566 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -9.023 -15.037 -5.120 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -8.896 -16.323 -3.937 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -6.735 -18.398 -5.913 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -7.857 -18.352 -4.548 1.00 0.00 H new ATOM 422 N ALA A 48 -10.252 -15.390 -7.515 1.00 0.00 N ATOM 423 CA ALA A 48 -10.576 -14.982 -8.892 1.00 0.00 C ATOM 424 C ALA A 48 -9.272 -14.597 -9.600 1.00 0.00 C ATOM 425 O ALA A 48 -8.245 -14.452 -8.939 1.00 0.00 O ATOM 426 CB ALA A 48 -11.582 -13.814 -8.918 1.00 0.00 C ATOM 0 H ALA A 48 -9.319 -15.100 -7.223 1.00 0.00 H new ATOM 0 HA ALA A 48 -11.052 -15.814 -9.411 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -11.796 -13.541 -9.951 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -12.505 -14.118 -8.424 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -11.157 -12.956 -8.397 1.00 0.00 H new ATOM 432 N ILE A 49 -9.306 -14.426 -10.936 1.00 0.00 N ATOM 433 CA ILE A 49 -8.106 -14.042 -11.714 1.00 0.00 C ATOM 434 C ILE A 49 -7.614 -12.640 -11.275 1.00 0.00 C ATOM 435 O ILE A 49 -6.414 -12.413 -11.137 1.00 0.00 O ATOM 436 CB ILE A 49 -8.350 -14.116 -13.275 1.00 0.00 C ATOM 437 CG1 ILE A 49 -7.025 -13.855 -14.076 1.00 0.00 C ATOM 438 CG2 ILE A 49 -9.473 -13.154 -13.729 1.00 0.00 C ATOM 439 CD1 ILE A 49 -5.904 -14.863 -13.828 1.00 0.00 C ATOM 0 H ILE A 49 -10.147 -14.547 -11.500 1.00 0.00 H new ATOM 0 HA ILE A 49 -7.322 -14.768 -11.498 1.00 0.00 H new ATOM 0 HB ILE A 49 -8.681 -15.130 -13.498 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -7.258 -13.850 -15.141 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -6.658 -12.860 -13.826 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -9.608 -13.236 -14.807 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -10.403 -13.417 -13.225 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -9.200 -12.130 -13.475 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.034 -14.594 -14.427 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.634 -14.854 -12.772 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -6.243 -15.860 -14.108 1.00 0.00 H new ATOM 451 N GLY A 50 -8.578 -11.743 -10.984 1.00 0.00 N ATOM 452 CA GLY A 50 -8.286 -10.406 -10.473 1.00 0.00 C ATOM 453 C GLY A 50 -7.691 -10.436 -9.070 1.00 0.00 C ATOM 454 O GLY A 50 -6.723 -9.725 -8.794 1.00 0.00 O ATOM 0 H GLY A 50 -9.574 -11.932 -11.099 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -7.592 -9.906 -11.148 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -9.202 -9.816 -10.463 1.00 0.00 H new ATOM 458 N ASP A 51 -8.274 -11.282 -8.189 1.00 0.00 N ATOM 459 CA ASP A 51 -7.789 -11.489 -6.795 1.00 0.00 C ATOM 460 C ASP A 51 -6.383 -12.104 -6.773 1.00 0.00 C ATOM 461 O ASP A 51 -5.587 -11.803 -5.885 1.00 0.00 O ATOM 462 CB ASP A 51 -8.758 -12.404 -5.993 1.00 0.00 C ATOM 463 CG ASP A 51 -10.056 -11.692 -5.595 1.00 0.00 C ATOM 464 OD1 ASP A 51 -10.053 -10.962 -4.581 1.00 0.00 O ATOM 465 OD2 ASP A 51 -11.078 -11.852 -6.283 1.00 0.00 O ATOM 0 H ASP A 51 -9.094 -11.843 -8.420 1.00 0.00 H new ATOM 0 HA ASP A 51 -7.752 -10.506 -6.326 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -9.000 -13.282 -6.592 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -8.254 -12.760 -5.094 1.00 0.00 H new ATOM 470 N ALA A 52 -6.110 -12.971 -7.760 1.00 0.00 N ATOM 471 CA ALA A 52 -4.832 -13.689 -7.890 1.00 0.00 C ATOM 472 C ALA A 52 -3.726 -12.727 -8.335 1.00 0.00 C ATOM 473 O ALA A 52 -2.640 -12.718 -7.763 1.00 0.00 O ATOM 474 CB ALA A 52 -4.968 -14.863 -8.868 1.00 0.00 C ATOM 0 H ALA A 52 -6.777 -13.196 -8.498 1.00 0.00 H new ATOM 0 HA ALA A 52 -4.559 -14.096 -6.916 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -4.012 -15.381 -8.950 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -5.726 -15.556 -8.502 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -5.263 -14.488 -9.848 1.00 0.00 H new ATOM 480 N VAL A 53 -4.040 -11.904 -9.353 1.00 0.00 N ATOM 481 CA VAL A 53 -3.142 -10.840 -9.851 1.00 0.00 C ATOM 482 C VAL A 53 -2.907 -9.769 -8.757 1.00 0.00 C ATOM 483 O VAL A 53 -1.811 -9.216 -8.657 1.00 0.00 O ATOM 484 CB VAL A 53 -3.720 -10.193 -11.176 1.00 0.00 C ATOM 485 CG1 VAL A 53 -2.926 -8.935 -11.612 1.00 0.00 C ATOM 486 CG2 VAL A 53 -3.748 -11.239 -12.325 1.00 0.00 C ATOM 0 H VAL A 53 -4.926 -11.957 -9.856 1.00 0.00 H new ATOM 0 HA VAL A 53 -2.178 -11.287 -10.094 1.00 0.00 H new ATOM 0 HB VAL A 53 -4.739 -9.873 -10.958 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.361 -8.528 -12.525 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.971 -8.184 -10.823 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.886 -9.206 -11.795 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -4.148 -10.777 -13.228 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -2.736 -11.595 -12.517 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -4.380 -12.079 -12.037 1.00 0.00 H new ATOM 496 N SER A 54 -3.937 -9.520 -7.927 1.00 0.00 N ATOM 497 CA SER A 54 -3.877 -8.561 -6.801 1.00 0.00 C ATOM 498 C SER A 54 -3.018 -9.119 -5.647 1.00 0.00 C ATOM 499 O SER A 54 -2.323 -8.361 -4.953 1.00 0.00 O ATOM 500 CB SER A 54 -5.304 -8.243 -6.301 1.00 0.00 C ATOM 501 OG SER A 54 -5.301 -7.257 -5.277 1.00 0.00 O ATOM 0 H SER A 54 -4.843 -9.981 -8.017 1.00 0.00 H new ATOM 0 HA SER A 54 -3.411 -7.642 -7.156 1.00 0.00 H new ATOM 0 HB2 SER A 54 -5.912 -7.896 -7.136 1.00 0.00 H new ATOM 0 HB3 SER A 54 -5.768 -9.155 -5.925 1.00 0.00 H new ATOM 0 HG SER A 54 -6.221 -7.082 -4.988 1.00 0.00 H new ATOM 507 N ALA A 55 -3.084 -10.449 -5.448 1.00 0.00 N ATOM 508 CA ALA A 55 -2.270 -11.158 -4.441 1.00 0.00 C ATOM 509 C ALA A 55 -0.791 -11.135 -4.851 1.00 0.00 C ATOM 510 O ALA A 55 0.085 -10.880 -4.025 1.00 0.00 O ATOM 511 CB ALA A 55 -2.770 -12.599 -4.261 1.00 0.00 C ATOM 0 H ALA A 55 -3.702 -11.062 -5.980 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.370 -10.648 -3.483 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -2.158 -13.106 -3.515 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -3.808 -12.585 -3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -2.699 -13.130 -5.210 1.00 0.00 H new ATOM 517 N VAL A 56 -0.554 -11.374 -6.156 1.00 0.00 N ATOM 518 CA VAL A 56 0.775 -11.281 -6.788 1.00 0.00 C ATOM 519 C VAL A 56 1.303 -9.830 -6.747 1.00 0.00 C ATOM 520 O VAL A 56 2.493 -9.616 -6.546 1.00 0.00 O ATOM 521 CB VAL A 56 0.730 -11.804 -8.281 1.00 0.00 C ATOM 522 CG1 VAL A 56 2.035 -11.498 -9.045 1.00 0.00 C ATOM 523 CG2 VAL A 56 0.431 -13.322 -8.334 1.00 0.00 C ATOM 0 H VAL A 56 -1.291 -11.641 -6.809 1.00 0.00 H new ATOM 0 HA VAL A 56 1.457 -11.915 -6.221 1.00 0.00 H new ATOM 0 HB VAL A 56 -0.080 -11.267 -8.773 1.00 0.00 H new ATOM 0 HG11 VAL A 56 1.957 -11.876 -10.064 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.199 -10.421 -9.069 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.873 -11.981 -8.542 1.00 0.00 H new ATOM 0 HG21 VAL A 56 0.406 -13.652 -9.373 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.210 -13.865 -7.799 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -0.534 -13.519 -7.868 1.00 0.00 H new ATOM 533 N SER A 57 0.393 -8.855 -6.921 1.00 0.00 N ATOM 534 CA SER A 57 0.721 -7.413 -6.930 1.00 0.00 C ATOM 535 C SER A 57 1.321 -6.983 -5.580 1.00 0.00 C ATOM 536 O SER A 57 2.424 -6.420 -5.520 1.00 0.00 O ATOM 537 CB SER A 57 -0.558 -6.593 -7.243 1.00 0.00 C ATOM 538 OG SER A 57 -0.320 -5.196 -7.265 1.00 0.00 O ATOM 0 H SER A 57 -0.599 -9.044 -7.061 1.00 0.00 H new ATOM 0 HA SER A 57 1.466 -7.224 -7.703 1.00 0.00 H new ATOM 0 HB2 SER A 57 -0.957 -6.905 -8.208 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.320 -6.816 -6.496 1.00 0.00 H new ATOM 0 HG SER A 57 0.432 -5.002 -7.862 1.00 0.00 H new ATOM 544 N ARG A 58 0.592 -7.309 -4.502 1.00 0.00 N ATOM 545 CA ARG A 58 0.974 -6.951 -3.130 1.00 0.00 C ATOM 546 C ARG A 58 2.217 -7.760 -2.706 1.00 0.00 C ATOM 547 O ARG A 58 3.108 -7.224 -2.042 1.00 0.00 O ATOM 548 CB ARG A 58 -0.245 -7.174 -2.162 1.00 0.00 C ATOM 549 CG ARG A 58 -0.403 -6.113 -1.037 1.00 0.00 C ATOM 550 CD ARG A 58 0.738 -6.132 -0.003 1.00 0.00 C ATOM 551 NE ARG A 58 0.638 -4.991 0.931 1.00 0.00 N ATOM 552 CZ ARG A 58 1.031 -4.995 2.214 1.00 0.00 C ATOM 553 NH1 ARG A 58 1.531 -6.083 2.763 1.00 0.00 N ATOM 554 NH2 ARG A 58 0.928 -3.895 2.940 1.00 0.00 N ATOM 0 H ARG A 58 -0.283 -7.831 -4.559 1.00 0.00 H new ATOM 0 HA ARG A 58 1.240 -5.895 -3.079 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.160 -7.190 -2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -0.146 -8.157 -1.701 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -0.455 -5.122 -1.489 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.350 -6.279 -0.523 1.00 0.00 H new ATOM 0 HD2 ARG A 58 0.708 -7.067 0.557 1.00 0.00 H new ATOM 0 HD3 ARG A 58 1.698 -6.100 -0.518 1.00 0.00 H new ATOM 0 HE ARG A 58 0.236 -4.126 0.569 1.00 0.00 H new ATOM 0 HH11 ARG A 58 1.623 -6.936 2.212 1.00 0.00 H new ATOM 0 HH12 ARG A 58 1.826 -6.072 3.739 1.00 0.00 H new ATOM 0 HH21 ARG A 58 0.550 -3.044 2.525 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.227 -3.898 3.915 1.00 0.00 H new ATOM 568 N ARG A 59 2.277 -9.040 -3.133 1.00 0.00 N ATOM 569 CA ARG A 59 3.396 -9.954 -2.809 1.00 0.00 C ATOM 570 C ARG A 59 4.704 -9.495 -3.480 1.00 0.00 C ATOM 571 O ARG A 59 5.770 -9.599 -2.883 1.00 0.00 O ATOM 572 CB ARG A 59 3.067 -11.415 -3.228 1.00 0.00 C ATOM 573 CG ARG A 59 4.133 -12.465 -2.821 1.00 0.00 C ATOM 574 CD ARG A 59 4.309 -12.574 -1.294 1.00 0.00 C ATOM 575 NE ARG A 59 5.433 -13.456 -0.943 1.00 0.00 N ATOM 576 CZ ARG A 59 5.517 -14.220 0.152 1.00 0.00 C ATOM 577 NH1 ARG A 59 4.546 -14.245 1.049 1.00 0.00 N ATOM 578 NH2 ARG A 59 6.586 -14.964 0.340 1.00 0.00 N ATOM 0 H ARG A 59 1.554 -9.469 -3.710 1.00 0.00 H new ATOM 0 HA ARG A 59 3.534 -9.926 -1.728 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.112 -11.698 -2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 59 2.940 -11.448 -4.310 1.00 0.00 H new ATOM 0 HG2 ARG A 59 3.849 -13.439 -3.220 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.088 -12.201 -3.275 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.478 -11.582 -0.874 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.391 -12.957 -0.847 1.00 0.00 H new ATOM 0 HE ARG A 59 6.219 -13.488 -1.593 1.00 0.00 H new ATOM 0 HH11 ARG A 59 3.712 -13.674 0.913 1.00 0.00 H new ATOM 0 HH12 ARG A 59 4.631 -14.835 1.877 1.00 0.00 H new ATOM 0 HH21 ARG A 59 7.341 -14.955 -0.346 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.660 -15.550 1.172 1.00 0.00 H new ATOM 592 N ALA A 60 4.599 -8.976 -4.712 1.00 0.00 N ATOM 593 CA ALA A 60 5.750 -8.454 -5.478 1.00 0.00 C ATOM 594 C ALA A 60 6.351 -7.230 -4.771 1.00 0.00 C ATOM 595 O ALA A 60 7.569 -7.041 -4.745 1.00 0.00 O ATOM 596 CB ALA A 60 5.323 -8.103 -6.913 1.00 0.00 C ATOM 0 H ALA A 60 3.712 -8.904 -5.211 1.00 0.00 H new ATOM 0 HA ALA A 60 6.516 -9.228 -5.530 1.00 0.00 H new ATOM 0 HB1 ALA A 60 6.181 -7.720 -7.465 1.00 0.00 H new ATOM 0 HB2 ALA A 60 4.943 -8.996 -7.408 1.00 0.00 H new ATOM 0 HB3 ALA A 60 4.542 -7.344 -6.885 1.00 0.00 H new ATOM 602 N ASP A 61 5.463 -6.426 -4.170 1.00 0.00 N ATOM 603 CA ASP A 61 5.837 -5.251 -3.372 1.00 0.00 C ATOM 604 C ASP A 61 6.504 -5.688 -2.043 1.00 0.00 C ATOM 605 O ASP A 61 7.423 -5.021 -1.556 1.00 0.00 O ATOM 606 CB ASP A 61 4.581 -4.391 -3.104 1.00 0.00 C ATOM 607 CG ASP A 61 4.900 -2.982 -2.570 1.00 0.00 C ATOM 608 OD1 ASP A 61 5.115 -2.823 -1.350 1.00 0.00 O ATOM 609 OD2 ASP A 61 4.917 -2.017 -3.363 1.00 0.00 O ATOM 0 H ASP A 61 4.455 -6.575 -4.225 1.00 0.00 H new ATOM 0 HA ASP A 61 6.561 -4.654 -3.926 1.00 0.00 H new ATOM 0 HB2 ASP A 61 4.010 -4.299 -4.028 1.00 0.00 H new ATOM 0 HB3 ASP A 61 3.944 -4.907 -2.385 1.00 0.00 H new ATOM 614 N GLU A 62 6.027 -6.826 -1.471 1.00 0.00 N ATOM 615 CA GLU A 62 6.621 -7.454 -0.259 1.00 0.00 C ATOM 616 C GLU A 62 8.067 -7.914 -0.539 1.00 0.00 C ATOM 617 O GLU A 62 8.924 -7.861 0.351 1.00 0.00 O ATOM 618 CB GLU A 62 5.767 -8.667 0.211 1.00 0.00 C ATOM 619 CG GLU A 62 4.341 -8.331 0.688 1.00 0.00 C ATOM 620 CD GLU A 62 4.302 -7.552 2.013 1.00 0.00 C ATOM 621 OE1 GLU A 62 4.355 -6.309 1.989 1.00 0.00 O ATOM 622 OE2 GLU A 62 4.202 -8.185 3.089 1.00 0.00 O ATOM 0 H GLU A 62 5.221 -7.333 -1.836 1.00 0.00 H new ATOM 0 HA GLU A 62 6.633 -6.705 0.533 1.00 0.00 H new ATOM 0 HB2 GLU A 62 5.698 -9.380 -0.611 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.294 -9.167 1.023 1.00 0.00 H new ATOM 0 HG2 GLU A 62 3.838 -7.747 -0.082 1.00 0.00 H new ATOM 0 HG3 GLU A 62 3.778 -9.257 0.804 1.00 0.00 H new ATOM 629 N GLU A 63 8.316 -8.364 -1.782 1.00 0.00 N ATOM 630 CA GLU A 63 9.665 -8.756 -2.237 1.00 0.00 C ATOM 631 C GLU A 63 10.567 -7.513 -2.388 1.00 0.00 C ATOM 632 O GLU A 63 11.785 -7.593 -2.212 1.00 0.00 O ATOM 633 CB GLU A 63 9.601 -9.534 -3.585 1.00 0.00 C ATOM 634 CG GLU A 63 8.654 -10.754 -3.595 1.00 0.00 C ATOM 635 CD GLU A 63 8.812 -11.679 -2.369 1.00 0.00 C ATOM 636 OE1 GLU A 63 9.934 -12.183 -2.127 1.00 0.00 O ATOM 637 OE2 GLU A 63 7.818 -11.910 -1.649 1.00 0.00 O ATOM 0 H GLU A 63 7.595 -8.466 -2.496 1.00 0.00 H new ATOM 0 HA GLU A 63 10.092 -9.415 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 63 9.288 -8.845 -4.369 1.00 0.00 H new ATOM 0 HB3 GLU A 63 10.606 -9.872 -3.839 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.624 -10.401 -3.641 1.00 0.00 H new ATOM 0 HG3 GLU A 63 8.834 -11.333 -4.501 1.00 0.00 H new ATOM 644 N GLY A 64 9.934 -6.369 -2.694 1.00 0.00 N ATOM 645 CA GLY A 64 10.639 -5.109 -2.966 1.00 0.00 C ATOM 646 C GLY A 64 10.733 -4.816 -4.459 1.00 0.00 C ATOM 647 O GLY A 64 11.372 -3.839 -4.863 1.00 0.00 O ATOM 0 H GLY A 64 8.919 -6.293 -2.759 1.00 0.00 H new ATOM 0 HA2 GLY A 64 10.121 -4.289 -2.468 1.00 0.00 H new ATOM 0 HA3 GLY A 64 11.642 -5.156 -2.542 1.00 0.00 H new ATOM 651 N ALA A 65 10.097 -5.679 -5.277 1.00 0.00 N ATOM 652 CA ALA A 65 10.030 -5.520 -6.738 1.00 0.00 C ATOM 653 C ALA A 65 9.097 -4.358 -7.112 1.00 0.00 C ATOM 654 O ALA A 65 8.061 -4.150 -6.465 1.00 0.00 O ATOM 655 CB ALA A 65 9.549 -6.823 -7.389 1.00 0.00 C ATOM 0 H ALA A 65 9.613 -6.510 -4.937 1.00 0.00 H new ATOM 0 HA ALA A 65 11.029 -5.290 -7.109 1.00 0.00 H new ATOM 0 HB1 ALA A 65 9.503 -6.694 -8.470 1.00 0.00 H new ATOM 0 HB2 ALA A 65 10.244 -7.628 -7.149 1.00 0.00 H new ATOM 0 HB3 ALA A 65 8.558 -7.074 -7.011 1.00 0.00 H new ATOM 661 N ALA A 66 9.493 -3.605 -8.149 1.00 0.00 N ATOM 662 CA ALA A 66 8.726 -2.460 -8.665 1.00 0.00 C ATOM 663 C ALA A 66 7.494 -2.941 -9.443 1.00 0.00 C ATOM 664 O ALA A 66 6.429 -2.316 -9.393 1.00 0.00 O ATOM 665 CB ALA A 66 9.618 -1.602 -9.574 1.00 0.00 C ATOM 0 H ALA A 66 10.361 -3.774 -8.657 1.00 0.00 H new ATOM 0 HA ALA A 66 8.388 -1.859 -7.821 1.00 0.00 H new ATOM 0 HB1 ALA A 66 9.045 -0.756 -9.953 1.00 0.00 H new ATOM 0 HB2 ALA A 66 10.472 -1.236 -9.005 1.00 0.00 H new ATOM 0 HB3 ALA A 66 9.971 -2.205 -10.411 1.00 0.00 H new ATOM 671 N SER A 67 7.664 -4.060 -10.157 1.00 0.00 N ATOM 672 CA SER A 67 6.652 -4.602 -11.069 1.00 0.00 C ATOM 673 C SER A 67 6.611 -6.133 -10.986 1.00 0.00 C ATOM 674 O SER A 67 7.418 -6.757 -10.285 1.00 0.00 O ATOM 675 CB SER A 67 6.953 -4.126 -12.515 1.00 0.00 C ATOM 676 OG SER A 67 6.935 -2.706 -12.611 1.00 0.00 O ATOM 0 H SER A 67 8.516 -4.619 -10.117 1.00 0.00 H new ATOM 0 HA SER A 67 5.669 -4.233 -10.776 1.00 0.00 H new ATOM 0 HB2 SER A 67 7.928 -4.500 -12.827 1.00 0.00 H new ATOM 0 HB3 SER A 67 6.216 -4.547 -13.199 1.00 0.00 H new ATOM 0 HG SER A 67 7.426 -2.426 -13.411 1.00 0.00 H new ATOM 682 N PHE A 68 5.628 -6.714 -11.681 1.00 0.00 N ATOM 683 CA PHE A 68 5.461 -8.175 -11.809 1.00 0.00 C ATOM 684 C PHE A 68 4.862 -8.499 -13.183 1.00 0.00 C ATOM 685 O PHE A 68 4.463 -7.589 -13.909 1.00 0.00 O ATOM 686 CB PHE A 68 4.530 -8.715 -10.682 1.00 0.00 C ATOM 687 CG PHE A 68 3.066 -8.248 -10.779 1.00 0.00 C ATOM 688 CD1 PHE A 68 2.662 -7.029 -10.243 1.00 0.00 C ATOM 689 CD2 PHE A 68 2.099 -9.033 -11.417 1.00 0.00 C ATOM 690 CE1 PHE A 68 1.348 -6.617 -10.340 1.00 0.00 C ATOM 691 CE2 PHE A 68 0.791 -8.618 -11.511 1.00 0.00 C ATOM 692 CZ PHE A 68 0.416 -7.408 -10.974 1.00 0.00 C ATOM 0 H PHE A 68 4.915 -6.181 -12.178 1.00 0.00 H new ATOM 0 HA PHE A 68 6.435 -8.656 -11.713 1.00 0.00 H new ATOM 0 HB2 PHE A 68 4.552 -9.805 -10.702 1.00 0.00 H new ATOM 0 HB3 PHE A 68 4.933 -8.406 -9.717 1.00 0.00 H new ATOM 0 HD1 PHE A 68 3.384 -6.398 -9.746 1.00 0.00 H new ATOM 0 HD2 PHE A 68 2.385 -9.983 -11.844 1.00 0.00 H new ATOM 0 HE1 PHE A 68 1.049 -5.669 -9.916 1.00 0.00 H new ATOM 0 HE2 PHE A 68 0.060 -9.241 -12.005 1.00 0.00 H new ATOM 0 HZ PHE A 68 -0.610 -7.078 -11.050 1.00 0.00 H new ATOM 702 N TYR A 69 4.762 -9.794 -13.507 1.00 0.00 N ATOM 703 CA TYR A 69 4.017 -10.262 -14.680 1.00 0.00 C ATOM 704 C TYR A 69 3.676 -11.747 -14.524 1.00 0.00 C ATOM 705 O TYR A 69 4.573 -12.583 -14.383 1.00 0.00 O ATOM 706 CB TYR A 69 4.787 -10.012 -16.010 1.00 0.00 C ATOM 707 CG TYR A 69 3.997 -10.446 -17.258 1.00 0.00 C ATOM 708 CD1 TYR A 69 2.819 -9.787 -17.618 1.00 0.00 C ATOM 709 CD2 TYR A 69 4.406 -11.523 -18.055 1.00 0.00 C ATOM 710 CE1 TYR A 69 2.083 -10.188 -18.713 1.00 0.00 C ATOM 711 CE2 TYR A 69 3.673 -11.919 -19.157 1.00 0.00 C ATOM 712 CZ TYR A 69 2.512 -11.251 -19.479 1.00 0.00 C ATOM 713 OH TYR A 69 1.771 -11.652 -20.568 1.00 0.00 O ATOM 0 H TYR A 69 5.193 -10.543 -12.966 1.00 0.00 H new ATOM 0 HA TYR A 69 3.095 -9.683 -14.736 1.00 0.00 H new ATOM 0 HB2 TYR A 69 5.027 -8.952 -16.090 1.00 0.00 H new ATOM 0 HB3 TYR A 69 5.734 -10.551 -15.981 1.00 0.00 H new ATOM 0 HD1 TYR A 69 2.479 -8.949 -17.028 1.00 0.00 H new ATOM 0 HD2 TYR A 69 5.312 -12.054 -17.803 1.00 0.00 H new ATOM 0 HE1 TYR A 69 1.171 -9.670 -18.970 1.00 0.00 H new ATOM 0 HE2 TYR A 69 4.008 -12.748 -19.763 1.00 0.00 H new ATOM 0 HH TYR A 69 2.211 -12.413 -21.001 1.00 0.00 H new ATOM 723 N VAL A 70 2.364 -12.050 -14.537 1.00 0.00 N ATOM 724 CA VAL A 70 1.843 -13.417 -14.544 1.00 0.00 C ATOM 725 C VAL A 70 2.239 -14.116 -15.858 1.00 0.00 C ATOM 726 O VAL A 70 1.808 -13.711 -16.942 1.00 0.00 O ATOM 727 CB VAL A 70 0.279 -13.425 -14.359 1.00 0.00 C ATOM 728 CG1 VAL A 70 -0.301 -14.863 -14.462 1.00 0.00 C ATOM 729 CG2 VAL A 70 -0.120 -12.737 -13.021 1.00 0.00 C ATOM 0 H VAL A 70 1.633 -11.339 -14.543 1.00 0.00 H new ATOM 0 HA VAL A 70 2.278 -13.962 -13.706 1.00 0.00 H new ATOM 0 HB VAL A 70 -0.159 -12.848 -15.174 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -1.382 -14.830 -14.329 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -0.068 -15.280 -15.442 1.00 0.00 H new ATOM 0 HG13 VAL A 70 0.140 -15.490 -13.687 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -1.204 -12.753 -12.913 1.00 0.00 H new ATOM 0 HG22 VAL A 70 0.336 -13.271 -12.187 1.00 0.00 H new ATOM 0 HG23 VAL A 70 0.229 -11.704 -13.025 1.00 0.00 H new ATOM 739 N VAL A 71 3.093 -15.142 -15.741 1.00 0.00 N ATOM 740 CA VAL A 71 3.624 -15.889 -16.891 1.00 0.00 C ATOM 741 C VAL A 71 2.898 -17.238 -17.073 1.00 0.00 C ATOM 742 O VAL A 71 2.905 -17.800 -18.176 1.00 0.00 O ATOM 743 CB VAL A 71 5.177 -16.112 -16.743 1.00 0.00 C ATOM 744 CG1 VAL A 71 5.946 -14.760 -16.700 1.00 0.00 C ATOM 745 CG2 VAL A 71 5.516 -16.995 -15.510 1.00 0.00 C ATOM 0 H VAL A 71 3.437 -15.479 -14.842 1.00 0.00 H new ATOM 0 HA VAL A 71 3.443 -15.291 -17.784 1.00 0.00 H new ATOM 0 HB VAL A 71 5.510 -16.651 -17.630 1.00 0.00 H new ATOM 0 HG11 VAL A 71 7.014 -14.952 -16.597 1.00 0.00 H new ATOM 0 HG12 VAL A 71 5.763 -14.208 -17.622 1.00 0.00 H new ATOM 0 HG13 VAL A 71 5.600 -14.171 -15.850 1.00 0.00 H new ATOM 0 HG21 VAL A 71 6.596 -17.126 -15.442 1.00 0.00 H new ATOM 0 HG22 VAL A 71 5.151 -16.510 -14.604 1.00 0.00 H new ATOM 0 HG23 VAL A 71 5.039 -17.969 -15.618 1.00 0.00 H new ATOM 755 N ASP A 72 2.251 -17.734 -15.997 1.00 0.00 N ATOM 756 CA ASP A 72 1.590 -19.053 -15.991 1.00 0.00 C ATOM 757 C ASP A 72 0.454 -19.092 -14.958 1.00 0.00 C ATOM 758 O ASP A 72 0.539 -18.467 -13.896 1.00 0.00 O ATOM 759 CB ASP A 72 2.632 -20.178 -15.694 1.00 0.00 C ATOM 760 CG ASP A 72 2.005 -21.580 -15.518 1.00 0.00 C ATOM 761 OD1 ASP A 72 1.633 -22.202 -16.532 1.00 0.00 O ATOM 762 OD2 ASP A 72 1.838 -22.043 -14.364 1.00 0.00 O ATOM 0 H ASP A 72 2.173 -17.232 -15.112 1.00 0.00 H new ATOM 0 HA ASP A 72 1.159 -19.223 -16.977 1.00 0.00 H new ATOM 0 HB2 ASP A 72 3.356 -20.214 -16.508 1.00 0.00 H new ATOM 0 HB3 ASP A 72 3.183 -19.920 -14.789 1.00 0.00 H new ATOM 767 N THR A 73 -0.612 -19.832 -15.310 1.00 0.00 N ATOM 768 CA THR A 73 -1.733 -20.170 -14.420 1.00 0.00 C ATOM 769 C THR A 73 -2.093 -21.658 -14.649 1.00 0.00 C ATOM 770 O THR A 73 -2.551 -22.025 -15.737 1.00 0.00 O ATOM 771 CB THR A 73 -2.993 -19.260 -14.687 1.00 0.00 C ATOM 772 OG1 THR A 73 -3.310 -19.250 -16.092 1.00 0.00 O ATOM 773 CG2 THR A 73 -2.793 -17.805 -14.209 1.00 0.00 C ATOM 0 H THR A 73 -0.719 -20.221 -16.247 1.00 0.00 H new ATOM 0 HA THR A 73 -1.431 -19.997 -13.387 1.00 0.00 H new ATOM 0 HB THR A 73 -3.813 -19.691 -14.112 1.00 0.00 H new ATOM 0 HG1 THR A 73 -3.142 -20.138 -16.472 1.00 0.00 H new ATOM 0 HG21 THR A 73 -3.692 -17.226 -14.419 1.00 0.00 H new ATOM 0 HG22 THR A 73 -2.599 -17.798 -13.136 1.00 0.00 H new ATOM 0 HG23 THR A 73 -1.946 -17.363 -14.734 1.00 0.00 H new ATOM 781 N SER A 74 -1.834 -22.513 -13.647 1.00 0.00 N ATOM 782 CA SER A 74 -2.137 -23.961 -13.717 1.00 0.00 C ATOM 783 C SER A 74 -3.146 -24.328 -12.621 1.00 0.00 C ATOM 784 O SER A 74 -3.000 -23.890 -11.480 1.00 0.00 O ATOM 785 CB SER A 74 -0.843 -24.792 -13.547 1.00 0.00 C ATOM 786 OG SER A 74 0.144 -24.436 -14.505 1.00 0.00 O ATOM 0 H SER A 74 -1.410 -22.226 -12.765 1.00 0.00 H new ATOM 0 HA SER A 74 -2.566 -24.187 -14.693 1.00 0.00 H new ATOM 0 HB2 SER A 74 -0.445 -24.643 -12.543 1.00 0.00 H new ATOM 0 HB3 SER A 74 -1.077 -25.852 -13.643 1.00 0.00 H new ATOM 0 HG SER A 74 0.482 -23.537 -14.308 1.00 0.00 H new ATOM 792 N GLU A 75 -4.168 -25.122 -12.969 1.00 0.00 N ATOM 793 CA GLU A 75 -5.208 -25.567 -12.014 1.00 0.00 C ATOM 794 C GLU A 75 -5.047 -27.061 -11.689 1.00 0.00 C ATOM 795 O GLU A 75 -4.257 -27.770 -12.332 1.00 0.00 O ATOM 796 CB GLU A 75 -6.620 -25.284 -12.590 1.00 0.00 C ATOM 797 CG GLU A 75 -6.944 -26.038 -13.898 1.00 0.00 C ATOM 798 CD GLU A 75 -8.344 -25.723 -14.448 1.00 0.00 C ATOM 799 OE1 GLU A 75 -8.489 -24.724 -15.180 1.00 0.00 O ATOM 800 OE2 GLU A 75 -9.302 -26.471 -14.155 1.00 0.00 O ATOM 0 H GLU A 75 -4.302 -25.476 -13.916 1.00 0.00 H new ATOM 0 HA GLU A 75 -5.089 -25.005 -11.088 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -7.364 -25.550 -11.839 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.717 -24.213 -12.770 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.199 -25.782 -14.651 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.863 -27.110 -13.721 1.00 0.00 H new ATOM 807 N PHE A 76 -5.802 -27.520 -10.680 1.00 0.00 N ATOM 808 CA PHE A 76 -5.873 -28.945 -10.302 1.00 0.00 C ATOM 809 C PHE A 76 -6.665 -29.735 -11.366 1.00 0.00 C ATOM 810 O PHE A 76 -6.360 -30.898 -11.650 1.00 0.00 O ATOM 811 CB PHE A 76 -6.551 -29.082 -8.914 1.00 0.00 C ATOM 812 CG PHE A 76 -6.429 -30.469 -8.259 1.00 0.00 C ATOM 813 CD1 PHE A 76 -7.354 -31.481 -8.516 1.00 0.00 C ATOM 814 CD2 PHE A 76 -5.382 -30.755 -7.380 1.00 0.00 C ATOM 815 CE1 PHE A 76 -7.236 -32.725 -7.922 1.00 0.00 C ATOM 816 CE2 PHE A 76 -5.268 -31.997 -6.787 1.00 0.00 C ATOM 817 CZ PHE A 76 -6.193 -32.980 -7.061 1.00 0.00 C ATOM 0 H PHE A 76 -6.383 -26.915 -10.100 1.00 0.00 H new ATOM 0 HA PHE A 76 -4.864 -29.354 -10.246 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -6.119 -28.341 -8.242 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -7.608 -28.839 -9.018 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -8.176 -31.290 -9.190 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -4.650 -29.992 -7.160 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -7.962 -33.496 -8.134 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -4.453 -32.198 -6.108 1.00 0.00 H new ATOM 0 HZ PHE A 76 -6.100 -33.952 -6.600 1.00 0.00 H new ATOM 827 N GLY A 77 -7.684 -29.067 -11.940 1.00 0.00 N ATOM 828 CA GLY A 77 -8.583 -29.671 -12.922 1.00 0.00 C ATOM 829 C GLY A 77 -10.012 -29.723 -12.411 1.00 0.00 C ATOM 830 O GLY A 77 -10.452 -30.764 -11.898 1.00 0.00 O ATOM 0 H GLY A 77 -7.901 -28.093 -11.731 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -8.548 -29.099 -13.849 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -8.242 -30.680 -13.157 1.00 0.00 H new ATOM 834 N ASN A 78 -10.716 -28.562 -12.505 1.00 0.00 N ATOM 835 CA ASN A 78 -12.158 -28.402 -12.145 1.00 0.00 C ATOM 836 C ASN A 78 -12.439 -28.563 -10.631 1.00 0.00 C ATOM 837 O ASN A 78 -13.601 -28.577 -10.210 1.00 0.00 O ATOM 838 CB ASN A 78 -13.064 -29.362 -12.978 1.00 0.00 C ATOM 839 CG ASN A 78 -13.116 -29.007 -14.462 1.00 0.00 C ATOM 840 OD1 ASN A 78 -13.972 -28.235 -14.896 1.00 0.00 O ATOM 841 ND2 ASN A 78 -12.205 -29.563 -15.252 1.00 0.00 N ATOM 0 H ASN A 78 -10.293 -27.696 -12.838 1.00 0.00 H new ATOM 0 HA ASN A 78 -12.411 -27.372 -12.398 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.697 -30.383 -12.868 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -14.075 -29.341 -12.571 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.200 -29.355 -16.251 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.510 -30.198 -14.860 1.00 0.00 H new ATOM 848 N SER A 79 -11.378 -28.638 -9.811 1.00 0.00 N ATOM 849 CA SER A 79 -11.496 -28.820 -8.355 1.00 0.00 C ATOM 850 C SER A 79 -11.555 -27.460 -7.624 1.00 0.00 C ATOM 851 O SER A 79 -11.575 -27.413 -6.387 1.00 0.00 O ATOM 852 CB SER A 79 -10.307 -29.674 -7.855 1.00 0.00 C ATOM 853 OG SER A 79 -10.435 -30.025 -6.485 1.00 0.00 O ATOM 0 H SER A 79 -10.414 -28.574 -10.139 1.00 0.00 H new ATOM 0 HA SER A 79 -12.428 -29.340 -8.133 1.00 0.00 H new ATOM 0 HB2 SER A 79 -10.236 -30.581 -8.455 1.00 0.00 H new ATOM 0 HB3 SER A 79 -9.379 -29.122 -8.001 1.00 0.00 H new ATOM 0 HG SER A 79 -10.976 -29.351 -6.024 1.00 0.00 H new ATOM 859 N GLY A 80 -11.579 -26.353 -8.398 1.00 0.00 N ATOM 860 CA GLY A 80 -11.616 -25.000 -7.845 1.00 0.00 C ATOM 861 C GLY A 80 -10.222 -24.452 -7.556 1.00 0.00 C ATOM 862 O GLY A 80 -9.897 -23.326 -7.963 1.00 0.00 O ATOM 0 H GLY A 80 -11.573 -26.382 -9.418 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.126 -24.338 -8.545 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.201 -25.002 -6.925 1.00 0.00 H new ATOM 866 N ASN A 81 -9.390 -25.261 -6.852 1.00 0.00 N ATOM 867 CA ASN A 81 -8.034 -24.857 -6.446 1.00 0.00 C ATOM 868 C ASN A 81 -7.104 -24.784 -7.666 1.00 0.00 C ATOM 869 O ASN A 81 -7.179 -25.619 -8.586 1.00 0.00 O ATOM 870 CB ASN A 81 -7.465 -25.796 -5.348 1.00 0.00 C ATOM 871 CG ASN A 81 -7.120 -27.202 -5.834 1.00 0.00 C ATOM 872 OD1 ASN A 81 -7.988 -28.067 -5.932 1.00 0.00 O ATOM 873 ND2 ASN A 81 -5.845 -27.438 -6.122 1.00 0.00 N ATOM 0 H ASN A 81 -9.645 -26.203 -6.555 1.00 0.00 H new ATOM 0 HA ASN A 81 -8.095 -23.860 -6.011 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -6.569 -25.341 -4.927 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -8.193 -25.873 -4.540 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -5.556 -28.364 -6.437 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -5.155 -26.693 -6.028 1.00 0.00 H new ATOM 880 N TRP A 82 -6.243 -23.769 -7.648 1.00 0.00 N ATOM 881 CA TRP A 82 -5.356 -23.416 -8.759 1.00 0.00 C ATOM 882 C TRP A 82 -4.162 -22.617 -8.221 1.00 0.00 C ATOM 883 O TRP A 82 -4.101 -22.312 -7.023 1.00 0.00 O ATOM 884 CB TRP A 82 -6.141 -22.611 -9.842 1.00 0.00 C ATOM 885 CG TRP A 82 -6.677 -21.259 -9.399 1.00 0.00 C ATOM 886 CD1 TRP A 82 -7.427 -20.967 -8.279 1.00 0.00 C ATOM 887 CD2 TRP A 82 -6.532 -20.021 -10.105 1.00 0.00 C ATOM 888 NE1 TRP A 82 -7.730 -19.629 -8.250 1.00 0.00 N ATOM 889 CE2 TRP A 82 -7.194 -19.029 -9.359 1.00 0.00 C ATOM 890 CE3 TRP A 82 -5.895 -19.661 -11.296 1.00 0.00 C ATOM 891 CZ2 TRP A 82 -7.239 -17.703 -9.769 1.00 0.00 C ATOM 892 CZ3 TRP A 82 -5.937 -18.343 -11.700 1.00 0.00 C ATOM 893 CH2 TRP A 82 -6.613 -17.381 -10.943 1.00 0.00 C ATOM 0 H TRP A 82 -6.139 -23.153 -6.842 1.00 0.00 H new ATOM 0 HA TRP A 82 -4.980 -24.323 -9.233 1.00 0.00 H new ATOM 0 HB2 TRP A 82 -5.487 -22.458 -10.700 1.00 0.00 H new ATOM 0 HB3 TRP A 82 -6.979 -23.219 -10.184 1.00 0.00 H new ATOM 0 HD1 TRP A 82 -7.731 -21.687 -7.533 1.00 0.00 H new ATOM 0 HE1 TRP A 82 -8.267 -19.158 -7.522 1.00 0.00 H new ATOM 0 HE3 TRP A 82 -5.379 -20.402 -11.889 1.00 0.00 H new ATOM 0 HZ2 TRP A 82 -7.749 -16.953 -9.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 82 -5.441 -18.050 -12.613 1.00 0.00 H new ATOM 0 HH2 TRP A 82 -6.642 -16.360 -11.293 1.00 0.00 H new ATOM 904 N ARG A 83 -3.230 -22.265 -9.114 1.00 0.00 N ATOM 905 CA ARG A 83 -1.996 -21.556 -8.755 1.00 0.00 C ATOM 906 C ARG A 83 -1.630 -20.561 -9.865 1.00 0.00 C ATOM 907 O ARG A 83 -2.018 -20.742 -11.031 1.00 0.00 O ATOM 908 CB ARG A 83 -0.846 -22.582 -8.471 1.00 0.00 C ATOM 909 CG ARG A 83 -0.262 -23.338 -9.702 1.00 0.00 C ATOM 910 CD ARG A 83 0.935 -22.607 -10.349 1.00 0.00 C ATOM 911 NE ARG A 83 1.397 -23.260 -11.585 1.00 0.00 N ATOM 912 CZ ARG A 83 2.446 -24.087 -11.685 1.00 0.00 C ATOM 913 NH1 ARG A 83 3.190 -24.386 -10.625 1.00 0.00 N ATOM 914 NH2 ARG A 83 2.744 -24.602 -12.863 1.00 0.00 N ATOM 0 H ARG A 83 -3.311 -22.465 -10.111 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.149 -20.986 -7.839 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -0.031 -22.051 -7.979 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -1.218 -23.322 -7.762 1.00 0.00 H new ATOM 0 HG2 ARG A 83 0.052 -24.335 -9.393 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -1.047 -23.468 -10.447 1.00 0.00 H new ATOM 0 HD2 ARG A 83 0.651 -21.578 -10.570 1.00 0.00 H new ATOM 0 HD3 ARG A 83 1.758 -22.564 -9.636 1.00 0.00 H new ATOM 0 HE ARG A 83 0.873 -23.066 -12.439 1.00 0.00 H new ATOM 0 HH11 ARG A 83 2.966 -23.984 -9.715 1.00 0.00 H new ATOM 0 HH12 ARG A 83 3.985 -25.018 -10.722 1.00 0.00 H new ATOM 0 HH21 ARG A 83 2.179 -24.368 -13.679 1.00 0.00 H new ATOM 0 HH22 ARG A 83 3.539 -25.234 -12.957 1.00 0.00 H new ATOM 928 N VAL A 84 -0.864 -19.523 -9.494 1.00 0.00 N ATOM 929 CA VAL A 84 -0.411 -18.467 -10.410 1.00 0.00 C ATOM 930 C VAL A 84 1.104 -18.254 -10.242 1.00 0.00 C ATOM 931 O VAL A 84 1.565 -17.867 -9.158 1.00 0.00 O ATOM 932 CB VAL A 84 -1.178 -17.113 -10.151 1.00 0.00 C ATOM 933 CG1 VAL A 84 -0.649 -15.970 -11.047 1.00 0.00 C ATOM 934 CG2 VAL A 84 -2.705 -17.291 -10.327 1.00 0.00 C ATOM 0 H VAL A 84 -0.538 -19.393 -8.536 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.627 -18.783 -11.430 1.00 0.00 H new ATOM 0 HB VAL A 84 -0.987 -16.831 -9.116 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -1.204 -15.056 -10.837 1.00 0.00 H new ATOM 0 HG12 VAL A 84 0.409 -15.807 -10.842 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.778 -16.240 -12.095 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -3.206 -16.341 -10.142 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -2.918 -17.621 -11.344 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -3.068 -18.036 -9.620 1.00 0.00 H new ATOM 944 N VAL A 85 1.860 -18.544 -11.313 1.00 0.00 N ATOM 945 CA VAL A 85 3.299 -18.252 -11.405 1.00 0.00 C ATOM 946 C VAL A 85 3.483 -16.872 -12.058 1.00 0.00 C ATOM 947 O VAL A 85 2.895 -16.601 -13.120 1.00 0.00 O ATOM 948 CB VAL A 85 4.060 -19.337 -12.255 1.00 0.00 C ATOM 949 CG1 VAL A 85 5.580 -19.060 -12.314 1.00 0.00 C ATOM 950 CG2 VAL A 85 3.786 -20.752 -11.718 1.00 0.00 C ATOM 0 H VAL A 85 1.485 -18.993 -12.149 1.00 0.00 H new ATOM 0 HA VAL A 85 3.718 -18.263 -10.399 1.00 0.00 H new ATOM 0 HB VAL A 85 3.675 -19.275 -13.273 1.00 0.00 H new ATOM 0 HG11 VAL A 85 6.068 -19.832 -12.910 1.00 0.00 H new ATOM 0 HG12 VAL A 85 5.755 -18.085 -12.769 1.00 0.00 H new ATOM 0 HG13 VAL A 85 5.991 -19.068 -11.304 1.00 0.00 H new ATOM 0 HG21 VAL A 85 4.324 -21.481 -12.324 1.00 0.00 H new ATOM 0 HG22 VAL A 85 4.123 -20.820 -10.684 1.00 0.00 H new ATOM 0 HG23 VAL A 85 2.717 -20.959 -11.766 1.00 0.00 H new ATOM 960 N ALA A 86 4.289 -16.018 -11.420 1.00 0.00 N ATOM 961 CA ALA A 86 4.563 -14.661 -11.889 1.00 0.00 C ATOM 962 C ALA A 86 6.007 -14.254 -11.561 1.00 0.00 C ATOM 963 O ALA A 86 6.427 -14.330 -10.406 1.00 0.00 O ATOM 964 CB ALA A 86 3.573 -13.682 -11.251 1.00 0.00 C ATOM 0 H ALA A 86 4.774 -16.254 -10.554 1.00 0.00 H new ATOM 0 HA ALA A 86 4.442 -14.634 -12.972 1.00 0.00 H new ATOM 0 HB1 ALA A 86 3.782 -12.672 -11.604 1.00 0.00 H new ATOM 0 HB2 ALA A 86 2.556 -13.960 -11.528 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.676 -13.716 -10.166 1.00 0.00 H new ATOM 970 N ASP A 87 6.761 -13.827 -12.578 1.00 0.00 N ATOM 971 CA ASP A 87 8.111 -13.273 -12.398 1.00 0.00 C ATOM 972 C ASP A 87 8.015 -11.815 -11.934 1.00 0.00 C ATOM 973 O ASP A 87 7.124 -11.079 -12.371 1.00 0.00 O ATOM 974 CB ASP A 87 8.913 -13.391 -13.714 1.00 0.00 C ATOM 975 CG ASP A 87 9.327 -14.841 -14.018 1.00 0.00 C ATOM 976 OD1 ASP A 87 8.481 -15.620 -14.501 1.00 0.00 O ATOM 977 OD2 ASP A 87 10.498 -15.212 -13.749 1.00 0.00 O ATOM 0 H ASP A 87 6.455 -13.855 -13.551 1.00 0.00 H new ATOM 0 HA ASP A 87 8.638 -13.841 -11.632 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.312 -13.007 -14.538 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.804 -12.767 -13.651 1.00 0.00 H new ATOM 982 N VAL A 88 8.932 -11.409 -11.045 1.00 0.00 N ATOM 983 CA VAL A 88 8.936 -10.065 -10.439 1.00 0.00 C ATOM 984 C VAL A 88 10.190 -9.282 -10.875 1.00 0.00 C ATOM 985 O VAL A 88 11.292 -9.841 -10.959 1.00 0.00 O ATOM 986 CB VAL A 88 8.813 -10.145 -8.870 1.00 0.00 C ATOM 987 CG1 VAL A 88 7.417 -10.659 -8.454 1.00 0.00 C ATOM 988 CG2 VAL A 88 9.922 -11.021 -8.232 1.00 0.00 C ATOM 0 H VAL A 88 9.696 -12.004 -10.723 1.00 0.00 H new ATOM 0 HA VAL A 88 8.062 -9.523 -10.799 1.00 0.00 H new ATOM 0 HB VAL A 88 8.945 -9.131 -8.493 1.00 0.00 H new ATOM 0 HG11 VAL A 88 7.356 -10.706 -7.367 1.00 0.00 H new ATOM 0 HG12 VAL A 88 6.652 -9.981 -8.832 1.00 0.00 H new ATOM 0 HG13 VAL A 88 7.257 -11.654 -8.870 1.00 0.00 H new ATOM 0 HG21 VAL A 88 9.791 -11.043 -7.150 1.00 0.00 H new ATOM 0 HG22 VAL A 88 9.856 -12.035 -8.626 1.00 0.00 H new ATOM 0 HG23 VAL A 88 10.899 -10.602 -8.471 1.00 0.00 H new ATOM 998 N TYR A 89 9.995 -7.979 -11.158 1.00 0.00 N ATOM 999 CA TYR A 89 10.989 -7.109 -11.817 1.00 0.00 C ATOM 1000 C TYR A 89 11.331 -5.915 -10.905 1.00 0.00 C ATOM 1001 O TYR A 89 10.436 -5.336 -10.280 1.00 0.00 O ATOM 1002 CB TYR A 89 10.405 -6.566 -13.162 1.00 0.00 C ATOM 1003 CG TYR A 89 9.922 -7.648 -14.148 1.00 0.00 C ATOM 1004 CD1 TYR A 89 8.687 -8.286 -13.973 1.00 0.00 C ATOM 1005 CD2 TYR A 89 10.685 -8.023 -15.259 1.00 0.00 C ATOM 1006 CE1 TYR A 89 8.245 -9.253 -14.854 1.00 0.00 C ATOM 1007 CE2 TYR A 89 10.239 -8.989 -16.140 1.00 0.00 C ATOM 1008 CZ TYR A 89 9.022 -9.601 -15.934 1.00 0.00 C ATOM 1009 OH TYR A 89 8.588 -10.575 -16.809 1.00 0.00 O ATOM 0 H TYR A 89 9.127 -7.493 -10.931 1.00 0.00 H new ATOM 0 HA TYR A 89 11.890 -7.691 -12.012 1.00 0.00 H new ATOM 0 HB2 TYR A 89 9.570 -5.903 -12.936 1.00 0.00 H new ATOM 0 HB3 TYR A 89 11.168 -5.962 -13.654 1.00 0.00 H new ATOM 0 HD1 TYR A 89 8.067 -8.016 -13.131 1.00 0.00 H new ATOM 0 HD2 TYR A 89 11.640 -7.549 -15.431 1.00 0.00 H new ATOM 0 HE1 TYR A 89 7.292 -9.735 -14.695 1.00 0.00 H new ATOM 0 HE2 TYR A 89 10.845 -9.265 -16.991 1.00 0.00 H new ATOM 0 HH TYR A 89 9.254 -10.699 -17.517 1.00 0.00 H new ATOM 1019 N LYS A 90 12.620 -5.544 -10.855 1.00 0.00 N ATOM 1020 CA LYS A 90 13.102 -4.354 -10.115 1.00 0.00 C ATOM 1021 C LYS A 90 13.092 -3.112 -11.026 1.00 0.00 C ATOM 1022 O LYS A 90 12.973 -3.234 -12.253 1.00 0.00 O ATOM 1023 CB LYS A 90 14.545 -4.612 -9.586 1.00 0.00 C ATOM 1024 CG LYS A 90 14.658 -5.719 -8.515 1.00 0.00 C ATOM 1025 CD LYS A 90 14.025 -5.328 -7.159 1.00 0.00 C ATOM 1026 CE LYS A 90 14.784 -4.185 -6.467 1.00 0.00 C ATOM 1027 NZ LYS A 90 14.198 -3.849 -5.147 1.00 0.00 N ATOM 0 H LYS A 90 13.364 -6.059 -11.326 1.00 0.00 H new ATOM 0 HA LYS A 90 12.435 -4.172 -9.272 1.00 0.00 H new ATOM 0 HB2 LYS A 90 15.183 -4.876 -10.429 1.00 0.00 H new ATOM 0 HB3 LYS A 90 14.935 -3.683 -9.170 1.00 0.00 H new ATOM 0 HG2 LYS A 90 14.176 -6.623 -8.886 1.00 0.00 H new ATOM 0 HG3 LYS A 90 15.710 -5.959 -8.361 1.00 0.00 H new ATOM 0 HD2 LYS A 90 12.989 -5.029 -7.317 1.00 0.00 H new ATOM 0 HD3 LYS A 90 14.009 -6.199 -6.504 1.00 0.00 H new ATOM 0 HE2 LYS A 90 15.828 -4.469 -6.338 1.00 0.00 H new ATOM 0 HE3 LYS A 90 14.770 -3.302 -7.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 14.496 -2.892 -4.868 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 13.160 -3.884 -5.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 14.526 -4.534 -4.437 1.00 0.00 H new ATOM 1041 N ALA A 91 13.215 -1.919 -10.410 1.00 0.00 N ATOM 1042 CA ALA A 91 13.386 -0.653 -11.141 1.00 0.00 C ATOM 1043 C ALA A 91 14.893 -0.306 -11.197 1.00 0.00 C ATOM 1044 O ALA A 91 15.565 -0.661 -12.195 1.00 0.00 O ATOM 1045 CB ALA A 91 12.558 0.468 -10.484 1.00 0.00 C ATOM 1046 OXT ALA A 91 15.419 0.259 -10.213 1.00 0.00 O ATOM 0 H ALA A 91 13.198 -1.809 -9.396 1.00 0.00 H new ATOM 0 HA ALA A 91 13.018 -0.758 -12.161 1.00 0.00 H new ATOM 0 HB1 ALA A 91 12.697 1.396 -11.038 1.00 0.00 H new ATOM 0 HB2 ALA A 91 11.503 0.194 -10.494 1.00 0.00 H new ATOM 0 HB3 ALA A 91 12.887 0.608 -9.454 1.00 0.00 H new TER 1052 ALA A 91