USER MOD reduce.3.24.130724 H: found=0, std=0, add=586, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 587 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 46 HIS :FLIP no HD1:sc= -2.01 F(o=-4.1!,f=-2) USER MOD Set 1.2: A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 ASN : amide:sc= 0.0286 X(o=0.029,f=-0.28) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 86:sc= 0.507 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 GLN : amide:sc= -0.198 X(o=-0.2,f=-0.023) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.349 K(o=-0.35,f=-3!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0148 X(o=-0.015,f=-0.052) USER MOD Single : A 37 TYR OH : rot 82:sc= -1.42 USER MOD Single : A 38 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 39 HIS : no HD1:sc= -0.247 X(o=-0.25,f=-0.034) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= -0.0447 X(o=-0.045,f=-0.36) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 GLN : amide:sc= -0.735 K(o=-0.74,f=-4.5!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 CYS SG : rot -20:sc= -2.92 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 122:sc= -0.239 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN :FLIP amide:sc= 1.03 F(o=-0.18,f=1) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 10 -3.019 12.480 3.982 1.00 50.20 N ATOM 2 CA ASN A 10 -2.141 11.408 3.528 1.00 0.31 C ATOM 3 C ASN A 10 -2.501 10.088 4.200 1.00 61.20 C ATOM 4 O ASN A 10 -2.611 9.054 3.541 1.00 53.10 O ATOM 5 CB ASN A 10 -0.680 11.759 3.817 1.00 53.40 C ATOM 6 CG ASN A 10 -0.047 12.566 2.701 1.00 23.40 C ATOM 7 OD1 ASN A 10 0.941 12.145 2.099 1.00 33.30 O ATOM 8 ND2 ASN A 10 -0.614 13.733 2.418 1.00 2.24 N ATOM 0 HA ASN A 10 -2.274 11.295 2.452 1.00 0.31 H new ATOM 0 HB2 ASN A 10 -0.622 12.324 4.748 1.00 53.40 H new ATOM 0 HB3 ASN A 10 -0.111 10.841 3.965 1.00 53.40 H new ATOM 0 HD21 ASN A 10 -0.232 14.319 1.676 1.00 2.24 H new ATOM 0 HD22 ASN A 10 -1.432 14.043 2.943 1.00 2.24 H new ATOM 15 N LEU A 11 -2.685 10.130 5.516 1.00 64.10 N ATOM 16 CA LEU A 11 -3.034 8.937 6.278 1.00 32.20 C ATOM 17 C LEU A 11 -4.428 8.443 5.908 1.00 24.00 C ATOM 18 O LEU A 11 -4.646 7.245 5.729 1.00 10.10 O ATOM 19 CB LEU A 11 -2.964 9.227 7.779 1.00 54.40 C ATOM 20 CG LEU A 11 -3.247 8.026 8.683 1.00 24.30 C ATOM 21 CD1 LEU A 11 -1.961 7.274 8.989 1.00 0.31 C ATOM 22 CD2 LEU A 11 -3.921 8.477 9.970 1.00 74.10 C ATOM 0 H LEU A 11 -2.598 10.978 6.077 1.00 64.10 H new ATOM 0 HA LEU A 11 -2.315 8.156 6.032 1.00 32.20 H new ATOM 0 HB2 LEU A 11 -1.972 9.613 8.013 1.00 54.40 H new ATOM 0 HB3 LEU A 11 -3.678 10.017 8.015 1.00 54.40 H new ATOM 0 HG LEU A 11 -3.923 7.351 8.158 1.00 24.30 H new ATOM 0 HD11 LEU A 11 -2.182 6.423 9.633 1.00 0.31 H new ATOM 0 HD12 LEU A 11 -1.517 6.920 8.059 1.00 0.31 H new ATOM 0 HD13 LEU A 11 -1.262 7.940 9.494 1.00 0.31 H new ATOM 0 HD21 LEU A 11 -4.115 7.610 10.602 1.00 74.10 H new ATOM 0 HD22 LEU A 11 -3.268 9.172 10.498 1.00 74.10 H new ATOM 0 HD23 LEU A 11 -4.863 8.972 9.733 1.00 74.10 H new ATOM 34 N GLN A 12 -5.370 9.374 5.794 1.00 30.20 N ATOM 35 CA GLN A 12 -6.744 9.033 5.446 1.00 62.40 C ATOM 36 C GLN A 12 -6.805 8.333 4.092 1.00 22.20 C ATOM 37 O GLN A 12 -7.577 7.393 3.902 1.00 35.30 O ATOM 38 CB GLN A 12 -7.614 10.292 5.421 1.00 61.10 C ATOM 39 CG GLN A 12 -9.090 10.008 5.198 1.00 24.40 C ATOM 40 CD GLN A 12 -9.916 11.274 5.078 1.00 63.10 C ATOM 41 OE1 GLN A 12 -9.754 12.047 4.134 1.00 33.00 O ATOM 42 NE2 GLN A 12 -10.800 11.492 6.039 1.00 4.20 N ATOM 0 H GLN A 12 -5.206 10.370 5.938 1.00 30.20 H new ATOM 0 HA GLN A 12 -7.125 8.351 6.206 1.00 62.40 H new ATOM 0 HB2 GLN A 12 -7.494 10.825 6.364 1.00 61.10 H new ATOM 0 HB3 GLN A 12 -7.257 10.954 4.632 1.00 61.10 H new ATOM 0 HG2 GLN A 12 -9.209 9.414 4.292 1.00 24.40 H new ATOM 0 HG3 GLN A 12 -9.470 9.408 6.025 1.00 24.40 H new ATOM 0 HE21 GLN A 12 -10.899 10.823 6.802 1.00 4.20 H new ATOM 0 HE22 GLN A 12 -11.382 12.329 6.016 1.00 4.20 H new ATOM 51 N LYS A 13 -5.986 8.798 3.154 1.00 54.20 N ATOM 52 CA LYS A 13 -5.947 8.215 1.817 1.00 65.30 C ATOM 53 C LYS A 13 -5.243 6.862 1.834 1.00 60.30 C ATOM 54 O LYS A 13 -5.571 5.971 1.051 1.00 15.20 O ATOM 55 CB LYS A 13 -5.236 9.161 0.847 1.00 32.10 C ATOM 56 CG LYS A 13 -5.830 9.157 -0.551 1.00 3.13 C ATOM 57 CD LYS A 13 -4.759 9.348 -1.613 1.00 4.34 C ATOM 58 CE LYS A 13 -5.251 10.233 -2.747 1.00 51.40 C ATOM 59 NZ LYS A 13 -5.040 11.678 -2.455 1.00 74.40 N ATOM 0 H LYS A 13 -5.341 9.576 3.294 1.00 54.20 H new ATOM 0 HA LYS A 13 -6.973 8.066 1.482 1.00 65.30 H new ATOM 0 HB2 LYS A 13 -5.275 10.174 1.247 1.00 32.10 H new ATOM 0 HB3 LYS A 13 -4.184 8.883 0.787 1.00 32.10 H new ATOM 0 HG2 LYS A 13 -6.351 8.215 -0.723 1.00 3.13 H new ATOM 0 HG3 LYS A 13 -6.572 9.951 -0.634 1.00 3.13 H new ATOM 0 HD2 LYS A 13 -3.872 9.793 -1.161 1.00 4.34 H new ATOM 0 HD3 LYS A 13 -4.462 8.377 -2.010 1.00 4.34 H new ATOM 0 HE2 LYS A 13 -4.729 9.968 -3.667 1.00 51.40 H new ATOM 0 HE3 LYS A 13 -6.312 10.048 -2.918 1.00 51.40 H new ATOM 0 HZ1 LYS A 13 -5.389 12.248 -3.252 1.00 74.40 H new ATOM 0 HZ2 LYS A 13 -5.559 11.937 -1.591 1.00 74.40 H new ATOM 0 HZ3 LYS A 13 -4.025 11.860 -2.317 1.00 74.40 H new ATOM 73 N ALA A 14 -4.275 6.715 2.733 1.00 42.00 N ATOM 74 CA ALA A 14 -3.526 5.471 2.852 1.00 35.10 C ATOM 75 C ALA A 14 -4.431 4.325 3.292 1.00 14.30 C ATOM 76 O ALA A 14 -4.278 3.191 2.839 1.00 2.11 O ATOM 77 CB ALA A 14 -2.373 5.641 3.830 1.00 30.10 C ATOM 0 H ALA A 14 -3.992 7.442 3.389 1.00 42.00 H new ATOM 0 HA ALA A 14 -3.122 5.224 1.870 1.00 35.10 H new ATOM 0 HB1 ALA A 14 -1.822 4.704 3.909 1.00 30.10 H new ATOM 0 HB2 ALA A 14 -1.706 6.425 3.473 1.00 30.10 H new ATOM 0 HB3 ALA A 14 -2.764 5.916 4.810 1.00 30.10 H new ATOM 83 N ILE A 15 -5.374 4.630 4.177 1.00 70.40 N ATOM 84 CA ILE A 15 -6.305 3.625 4.678 1.00 31.10 C ATOM 85 C ILE A 15 -7.383 3.313 3.647 1.00 34.30 C ATOM 86 O ILE A 15 -7.871 2.186 3.566 1.00 35.30 O ATOM 87 CB ILE A 15 -6.978 4.085 5.986 1.00 30.10 C ATOM 88 CG1 ILE A 15 -5.927 4.587 6.978 1.00 34.10 C ATOM 89 CG2 ILE A 15 -7.787 2.949 6.593 1.00 64.40 C ATOM 90 CD1 ILE A 15 -6.506 5.422 8.099 1.00 72.10 C ATOM 0 H ILE A 15 -5.514 5.564 4.562 1.00 70.40 H new ATOM 0 HA ILE A 15 -5.723 2.725 4.875 1.00 31.10 H new ATOM 0 HB ILE A 15 -7.656 4.907 5.758 1.00 30.10 H new ATOM 0 HG12 ILE A 15 -5.404 3.731 7.406 1.00 34.10 H new ATOM 0 HG13 ILE A 15 -5.185 5.178 6.441 1.00 34.10 H new ATOM 0 HG21 ILE A 15 -8.256 3.289 7.516 1.00 64.40 H new ATOM 0 HG22 ILE A 15 -8.557 2.634 5.889 1.00 64.40 H new ATOM 0 HG23 ILE A 15 -7.128 2.108 6.809 1.00 64.40 H new ATOM 0 HD11 ILE A 15 -5.705 5.744 8.764 1.00 72.10 H new ATOM 0 HD12 ILE A 15 -7.004 6.297 7.681 1.00 72.10 H new ATOM 0 HD13 ILE A 15 -7.227 4.828 8.660 1.00 72.10 H new ATOM 102 N ASP A 16 -7.751 4.319 2.860 1.00 31.40 N ATOM 103 CA ASP A 16 -8.773 4.151 1.833 1.00 22.30 C ATOM 104 C ASP A 16 -8.240 3.328 0.665 1.00 21.20 C ATOM 105 O ASP A 16 -8.915 2.426 0.170 1.00 62.30 O ATOM 106 CB ASP A 16 -9.252 5.515 1.334 1.00 72.20 C ATOM 107 CG ASP A 16 -10.700 5.498 0.914 1.00 32.50 C ATOM 108 OD1 ASP A 16 -11.190 4.424 0.501 1.00 11.00 O ATOM 109 OD2 ASP A 16 -11.360 6.559 0.997 1.00 25.10 O ATOM 0 H ASP A 16 -7.357 5.258 2.914 1.00 31.40 H new ATOM 0 HA ASP A 16 -9.614 3.618 2.276 1.00 22.30 H new ATOM 0 HB2 ASP A 16 -9.114 6.256 2.121 1.00 72.20 H new ATOM 0 HB3 ASP A 16 -8.636 5.827 0.491 1.00 72.20 H new ATOM 114 N LEU A 17 -7.025 3.644 0.230 1.00 65.00 N ATOM 115 CA LEU A 17 -6.401 2.933 -0.880 1.00 73.00 C ATOM 116 C LEU A 17 -6.177 1.466 -0.529 1.00 24.30 C ATOM 117 O LEU A 17 -6.470 0.575 -1.325 1.00 74.50 O ATOM 118 CB LEU A 17 -5.070 3.591 -1.251 1.00 21.30 C ATOM 119 CG LEU A 17 -5.162 5.071 -1.627 1.00 72.20 C ATOM 120 CD1 LEU A 17 -3.900 5.807 -1.207 1.00 73.20 C ATOM 121 CD2 LEU A 17 -5.399 5.225 -3.122 1.00 5.53 C ATOM 0 H LEU A 17 -6.453 4.388 0.629 1.00 65.00 H new ATOM 0 HA LEU A 17 -7.074 2.984 -1.736 1.00 73.00 H new ATOM 0 HB2 LEU A 17 -4.384 3.487 -0.410 1.00 21.30 H new ATOM 0 HB3 LEU A 17 -4.633 3.046 -2.088 1.00 21.30 H new ATOM 0 HG LEU A 17 -6.007 5.511 -1.097 1.00 72.20 H new ATOM 0 HD11 LEU A 17 -3.983 6.858 -1.482 1.00 73.20 H new ATOM 0 HD12 LEU A 17 -3.772 5.724 -0.128 1.00 73.20 H new ATOM 0 HD13 LEU A 17 -3.038 5.367 -1.709 1.00 73.20 H new ATOM 0 HD21 LEU A 17 -5.462 6.284 -3.373 1.00 5.53 H new ATOM 0 HD22 LEU A 17 -4.574 4.771 -3.670 1.00 5.53 H new ATOM 0 HD23 LEU A 17 -6.331 4.731 -3.395 1.00 5.53 H new ATOM 133 N ALA A 18 -5.654 1.223 0.669 1.00 54.30 N ATOM 134 CA ALA A 18 -5.390 -0.136 1.126 1.00 20.40 C ATOM 135 C ALA A 18 -6.672 -0.961 1.164 1.00 3.53 C ATOM 136 O ALA A 18 -6.701 -2.103 0.705 1.00 54.10 O ATOM 137 CB ALA A 18 -4.734 -0.112 2.498 1.00 33.30 C ATOM 0 H ALA A 18 -5.405 1.950 1.340 1.00 54.30 H new ATOM 0 HA ALA A 18 -4.708 -0.606 0.417 1.00 20.40 H new ATOM 0 HB1 ALA A 18 -4.542 -1.133 2.828 1.00 33.30 H new ATOM 0 HB2 ALA A 18 -3.792 0.434 2.442 1.00 33.30 H new ATOM 0 HB3 ALA A 18 -5.397 0.380 3.210 1.00 33.30 H new ATOM 143 N SER A 19 -7.730 -0.375 1.714 1.00 25.50 N ATOM 144 CA SER A 19 -9.016 -1.056 1.812 1.00 32.30 C ATOM 145 C SER A 19 -9.543 -1.426 0.429 1.00 33.50 C ATOM 146 O SER A 19 -10.040 -2.531 0.219 1.00 62.30 O ATOM 147 CB SER A 19 -10.030 -0.172 2.538 1.00 30.20 C ATOM 148 OG SER A 19 -9.725 -0.069 3.917 1.00 62.10 O ATOM 0 H SER A 19 -7.723 0.570 2.099 1.00 25.50 H new ATOM 0 HA SER A 19 -8.871 -1.974 2.382 1.00 32.30 H new ATOM 0 HB2 SER A 19 -10.037 0.821 2.089 1.00 30.20 H new ATOM 0 HB3 SER A 19 -11.031 -0.585 2.414 1.00 30.20 H new ATOM 0 HG SER A 19 -9.084 0.659 4.057 1.00 62.10 H new ATOM 154 N LYS A 20 -9.428 -0.493 -0.511 1.00 13.50 N ATOM 155 CA LYS A 20 -9.893 -0.721 -1.874 1.00 62.40 C ATOM 156 C LYS A 20 -8.956 -1.666 -2.618 1.00 35.40 C ATOM 157 O LYS A 20 -9.385 -2.428 -3.484 1.00 33.40 O ATOM 158 CB LYS A 20 -10.000 0.607 -2.627 1.00 30.40 C ATOM 159 CG LYS A 20 -11.170 0.664 -3.594 1.00 71.30 C ATOM 160 CD LYS A 20 -11.460 2.091 -4.033 1.00 20.50 C ATOM 161 CE LYS A 20 -10.680 2.457 -5.286 1.00 65.50 C ATOM 162 NZ LYS A 20 -11.510 2.316 -6.516 1.00 24.00 N ATOM 0 H LYS A 20 -9.017 0.427 -0.354 1.00 13.50 H new ATOM 0 HA LYS A 20 -10.879 -1.183 -1.822 1.00 62.40 H new ATOM 0 HB2 LYS A 20 -10.096 1.418 -1.905 1.00 30.40 H new ATOM 0 HB3 LYS A 20 -9.075 0.779 -3.178 1.00 30.40 H new ATOM 0 HG2 LYS A 20 -10.951 0.050 -4.468 1.00 71.30 H new ATOM 0 HG3 LYS A 20 -12.056 0.240 -3.121 1.00 71.30 H new ATOM 0 HD2 LYS A 20 -12.528 2.205 -4.221 1.00 20.50 H new ATOM 0 HD3 LYS A 20 -11.203 2.780 -3.228 1.00 20.50 H new ATOM 0 HE2 LYS A 20 -10.322 3.483 -5.205 1.00 65.50 H new ATOM 0 HE3 LYS A 20 -9.800 1.818 -5.366 1.00 65.50 H new ATOM 0 HZ1 LYS A 20 -10.943 2.574 -7.349 1.00 24.00 H new ATOM 0 HZ2 LYS A 20 -11.831 1.331 -6.607 1.00 24.00 H new ATOM 0 HZ3 LYS A 20 -12.336 2.944 -6.451 1.00 24.00 H new ATOM 176 N ALA A 21 -7.673 -1.611 -2.273 1.00 15.30 N ATOM 177 CA ALA A 21 -6.675 -2.463 -2.908 1.00 10.20 C ATOM 178 C ALA A 21 -6.854 -3.920 -2.497 1.00 1.31 C ATOM 179 O ALA A 21 -6.851 -4.818 -3.339 1.00 34.40 O ATOM 180 CB ALA A 21 -5.274 -1.983 -2.559 1.00 74.20 C ATOM 0 H ALA A 21 -7.301 -0.986 -1.558 1.00 15.30 H new ATOM 0 HA ALA A 21 -6.812 -2.398 -3.987 1.00 10.20 H new ATOM 0 HB1 ALA A 21 -4.538 -2.628 -3.040 1.00 74.20 H new ATOM 0 HB2 ALA A 21 -5.143 -0.959 -2.909 1.00 74.20 H new ATOM 0 HB3 ALA A 21 -5.136 -2.018 -1.478 1.00 74.20 H new ATOM 186 N ALA A 22 -7.011 -4.147 -1.197 1.00 22.30 N ATOM 187 CA ALA A 22 -7.192 -5.496 -0.673 1.00 34.10 C ATOM 188 C ALA A 22 -8.450 -6.142 -1.245 1.00 4.34 C ATOM 189 O ALA A 22 -8.469 -7.339 -1.533 1.00 73.30 O ATOM 190 CB ALA A 22 -7.255 -5.467 0.846 1.00 51.20 C ATOM 0 H ALA A 22 -7.017 -3.415 -0.487 1.00 22.30 H new ATOM 0 HA ALA A 22 -6.335 -6.097 -0.979 1.00 34.10 H new ATOM 0 HB1 ALA A 22 -7.390 -6.480 1.224 1.00 51.20 H new ATOM 0 HB2 ALA A 22 -6.327 -5.053 1.241 1.00 51.20 H new ATOM 0 HB3 ALA A 22 -8.093 -4.846 1.164 1.00 51.20 H new ATOM 196 N GLN A 23 -9.499 -5.342 -1.406 1.00 22.10 N ATOM 197 CA GLN A 23 -10.760 -5.836 -1.943 1.00 31.40 C ATOM 198 C GLN A 23 -10.620 -6.171 -3.425 1.00 12.30 C ATOM 199 O GLN A 23 -11.280 -7.079 -3.929 1.00 44.30 O ATOM 200 CB GLN A 23 -11.860 -4.799 -1.740 1.00 44.30 C ATOM 201 CG GLN A 23 -12.400 -4.750 -0.318 1.00 21.10 C ATOM 202 CD GLN A 23 -13.880 -4.451 -0.265 1.00 44.50 C ATOM 203 OE1 GLN A 23 -14.310 -3.498 0.387 1.00 14.10 O ATOM 204 NE2 GLN A 23 -14.680 -5.265 -0.951 1.00 51.30 N ATOM 0 H GLN A 23 -9.500 -4.349 -1.172 1.00 22.10 H new ATOM 0 HA GLN A 23 -11.029 -6.747 -1.408 1.00 31.40 H new ATOM 0 HB2 GLN A 23 -11.473 -3.815 -2.006 1.00 44.30 H new ATOM 0 HB3 GLN A 23 -12.681 -5.015 -2.424 1.00 44.30 H new ATOM 0 HG2 GLN A 23 -12.209 -5.705 0.172 1.00 21.10 H new ATOM 0 HG3 GLN A 23 -11.860 -3.989 0.245 1.00 21.10 H new ATOM 0 HE21 GLN A 23 -14.285 -6.043 -1.479 1.00 51.30 H new ATOM 0 HE22 GLN A 23 -15.688 -5.110 -0.949 1.00 51.30 H new ATOM 213 N GLU A 24 -9.768 -5.432 -4.118 1.00 22.20 N ATOM 214 CA GLU A 24 -9.548 -5.650 -5.543 1.00 21.50 C ATOM 215 C GLU A 24 -8.846 -6.982 -5.788 1.00 21.40 C ATOM 216 O GLU A 24 -9.310 -7.803 -6.579 1.00 75.20 O ATOM 217 CB GLU A 24 -8.718 -4.508 -6.134 1.00 74.40 C ATOM 218 CG GLU A 24 -9.451 -3.177 -6.164 1.00 31.20 C ATOM 219 CD GLU A 24 -10.040 -2.871 -7.524 1.00 74.10 C ATOM 220 OE1 GLU A 24 -9.276 -2.536 -8.448 1.00 12.20 O ATOM 221 OE2 GLU A 24 -11.280 -2.966 -7.665 1.00 71.10 O ATOM 0 H GLU A 24 -9.215 -4.674 -3.718 1.00 22.20 H new ATOM 0 HA GLU A 24 -10.521 -5.676 -6.035 1.00 21.50 H new ATOM 0 HB2 GLU A 24 -7.803 -4.396 -5.553 1.00 74.40 H new ATOM 0 HB3 GLU A 24 -8.421 -4.773 -7.149 1.00 74.40 H new ATOM 0 HG2 GLU A 24 -10.248 -3.188 -5.420 1.00 31.20 H new ATOM 0 HG3 GLU A 24 -8.763 -2.380 -5.882 1.00 31.20 H new ATOM 228 N ASP A 25 -7.726 -7.190 -5.103 1.00 65.00 N ATOM 229 CA ASP A 25 -6.961 -8.423 -5.245 1.00 30.50 C ATOM 230 C ASP A 25 -7.797 -9.632 -4.842 1.00 43.30 C ATOM 231 O ASP A 25 -7.861 -10.620 -5.566 1.00 73.30 O ATOM 232 CB ASP A 25 -5.690 -8.360 -4.395 1.00 54.10 C ATOM 233 CG ASP A 25 -4.654 -9.379 -4.828 1.00 11.50 C ATOM 234 OD1 ASP A 25 -4.428 -9.513 -6.049 1.00 74.10 O ATOM 235 OD2 ASP A 25 -4.069 -10.040 -3.946 1.00 65.50 O ATOM 0 H ASP A 25 -7.328 -6.520 -4.444 1.00 65.00 H new ATOM 0 HA ASP A 25 -6.684 -8.530 -6.294 1.00 30.50 H new ATOM 0 HB2 ASP A 25 -5.262 -7.360 -4.461 1.00 54.10 H new ATOM 0 HB3 ASP A 25 -5.947 -8.529 -3.349 1.00 54.10 H new ATOM 240 N LYS A 26 -8.438 -9.541 -3.681 1.00 31.50 N ATOM 241 CA LYS A 26 -9.271 -10.620 -3.181 1.00 62.30 C ATOM 242 C LYS A 26 -10.410 -10.920 -4.143 1.00 73.50 C ATOM 243 O LYS A 26 -10.860 -12.060 -4.262 1.00 33.30 O ATOM 244 CB LYS A 26 -9.827 -10.270 -1.799 1.00 61.30 C ATOM 245 CG LYS A 26 -8.921 -10.700 -0.654 1.00 5.40 C ATOM 246 CD LYS A 26 -9.699 -10.860 0.642 1.00 0.44 C ATOM 247 CE LYS A 26 -8.792 -10.730 1.855 1.00 15.00 C ATOM 248 NZ LYS A 26 -9.426 -11.290 3.083 1.00 15.10 N ATOM 0 H LYS A 26 -8.394 -8.726 -3.069 1.00 31.50 H new ATOM 0 HA LYS A 26 -8.651 -11.512 -3.096 1.00 62.30 H new ATOM 0 HB2 LYS A 26 -9.985 -9.193 -1.742 1.00 61.30 H new ATOM 0 HB3 LYS A 26 -10.802 -10.742 -1.678 1.00 61.30 H new ATOM 0 HG2 LYS A 26 -8.436 -11.643 -0.907 1.00 5.40 H new ATOM 0 HG3 LYS A 26 -8.131 -9.962 -0.517 1.00 5.40 H new ATOM 0 HD2 LYS A 26 -10.485 -10.106 0.691 1.00 0.44 H new ATOM 0 HD3 LYS A 26 -10.189 -11.833 0.656 1.00 0.44 H new ATOM 0 HE2 LYS A 26 -7.852 -11.247 1.663 1.00 15.00 H new ATOM 0 HE3 LYS A 26 -8.550 -9.680 2.017 1.00 15.00 H new ATOM 0 HZ1 LYS A 26 -8.777 -11.183 3.889 1.00 15.10 H new ATOM 0 HZ2 LYS A 26 -10.310 -10.780 3.281 1.00 15.10 H new ATOM 0 HZ3 LYS A 26 -9.633 -12.299 2.937 1.00 15.10 H new ATOM 262 N ALA A 27 -10.880 -9.886 -4.828 1.00 53.50 N ATOM 263 CA ALA A 27 -11.980 -10.030 -5.779 1.00 11.30 C ATOM 264 C ALA A 27 -11.500 -10.670 -7.077 1.00 21.50 C ATOM 265 O ALA A 27 -12.160 -11.540 -7.635 1.00 72.30 O ATOM 266 CB ALA A 27 -12.620 -8.681 -6.061 1.00 72.30 C ATOM 0 H ALA A 27 -10.518 -8.936 -4.744 1.00 53.50 H new ATOM 0 HA ALA A 27 -12.728 -10.685 -5.332 1.00 11.30 H new ATOM 0 HB1 ALA A 27 -13.437 -8.807 -6.771 1.00 72.30 H new ATOM 0 HB2 ALA A 27 -13.008 -8.261 -5.133 1.00 72.30 H new ATOM 0 HB3 ALA A 27 -11.875 -8.006 -6.482 1.00 72.30 H new ATOM 272 N GLY A 28 -10.340 -10.230 -7.551 1.00 34.40 N ATOM 273 CA GLY A 28 -9.788 -10.770 -8.780 1.00 1.33 C ATOM 274 C GLY A 28 -8.828 -9.813 -9.456 1.00 43.20 C ATOM 275 O GLY A 28 -7.906 -10.230 -10.150 1.00 5.14 O ATOM 0 H GLY A 28 -9.772 -9.509 -7.106 1.00 34.40 H new ATOM 0 HA2 GLY A 28 -9.271 -11.704 -8.562 1.00 1.33 H new ATOM 0 HA3 GLY A 28 -10.601 -11.008 -9.466 1.00 1.33 H new ATOM 279 N ASN A 29 -9.045 -8.518 -9.249 1.00 24.30 N ATOM 280 CA ASN A 29 -8.191 -7.496 -9.844 1.00 1.12 C ATOM 281 C ASN A 29 -6.840 -7.437 -9.139 1.00 52.30 C ATOM 282 O ASN A 29 -6.752 -7.044 -7.976 1.00 21.10 O ATOM 283 CB ASN A 29 -8.875 -6.129 -9.776 1.00 21.40 C ATOM 284 CG ASN A 29 -10.240 -6.132 -10.430 1.00 53.10 C ATOM 285 OD1 ASN A 29 -10.720 -7.170 -10.880 1.00 54.00 O ATOM 286 ND2 ASN A 29 -10.870 -4.967 -10.480 1.00 73.10 N ATOM 0 H ASN A 29 -9.804 -8.152 -8.674 1.00 24.30 H new ATOM 0 HA ASN A 29 -8.024 -7.760 -10.888 1.00 1.12 H new ATOM 0 HB2 ASN A 29 -8.976 -5.828 -8.733 1.00 21.40 H new ATOM 0 HB3 ASN A 29 -8.244 -5.386 -10.263 1.00 21.40 H new ATOM 0 HD21 ASN A 29 -11.795 -4.905 -10.906 1.00 73.10 H new ATOM 0 HD22 ASN A 29 -10.430 -4.132 -10.093 1.00 73.10 H new ATOM 293 N TYR A 30 -5.789 -7.831 -9.851 1.00 63.20 N ATOM 294 CA TYR A 30 -4.442 -7.823 -9.294 1.00 14.50 C ATOM 295 C TYR A 30 -3.668 -6.593 -9.757 1.00 1.41 C ATOM 296 O TYR A 30 -2.954 -5.966 -8.975 1.00 45.30 O ATOM 297 CB TYR A 30 -3.693 -9.094 -9.700 1.00 74.10 C ATOM 298 CG TYR A 30 -4.024 -10.290 -8.841 1.00 61.00 C ATOM 299 CD1 TYR A 30 -5.335 -10.560 -8.473 1.00 33.30 C ATOM 300 CD2 TYR A 30 -3.025 -11.150 -8.399 1.00 34.00 C ATOM 301 CE1 TYR A 30 -5.642 -11.660 -7.688 1.00 53.30 C ATOM 302 CE2 TYR A 30 -3.324 -12.250 -7.615 1.00 51.40 C ATOM 303 CZ TYR A 30 -4.633 -12.500 -7.262 1.00 52.50 C ATOM 304 OH TYR A 30 -4.934 -13.590 -6.480 1.00 14.20 O ATOM 0 H TYR A 30 -5.845 -8.160 -10.815 1.00 63.20 H new ATOM 0 HA TYR A 30 -4.525 -7.789 -8.208 1.00 14.50 H new ATOM 0 HB2 TYR A 30 -3.927 -9.327 -10.739 1.00 74.10 H new ATOM 0 HB3 TYR A 30 -2.621 -8.906 -9.649 1.00 74.10 H new ATOM 0 HD1 TYR A 30 -6.127 -9.904 -8.803 1.00 33.30 H new ATOM 0 HD2 TYR A 30 -1.998 -10.956 -8.672 1.00 34.00 H new ATOM 0 HE1 TYR A 30 -6.667 -11.859 -7.411 1.00 53.30 H new ATOM 0 HE2 TYR A 30 -2.536 -12.909 -7.281 1.00 51.40 H new ATOM 0 HH TYR A 30 -4.111 -14.078 -6.268 1.00 14.20 H new ATOM 314 N GLU A 31 -3.816 -6.253 -11.030 1.00 63.20 N ATOM 315 CA GLU A 31 -3.132 -5.098 -11.600 1.00 2.04 C ATOM 316 C GLU A 31 -3.532 -3.817 -10.870 1.00 3.12 C ATOM 317 O GLU A 31 -2.682 -3.096 -10.350 1.00 43.30 O ATOM 318 CB GLU A 31 -3.447 -4.976 -13.090 1.00 72.10 C ATOM 319 CG GLU A 31 -2.228 -4.670 -13.950 1.00 71.30 C ATOM 320 CD GLU A 31 -2.003 -3.182 -14.130 1.00 3.53 C ATOM 321 OE1 GLU A 31 -1.792 -2.484 -13.110 1.00 43.10 O ATOM 322 OE2 GLU A 31 -2.037 -2.715 -15.290 1.00 0.21 O ATOM 0 H GLU A 31 -4.405 -6.761 -11.690 1.00 63.20 H new ATOM 0 HA GLU A 31 -2.059 -5.243 -11.478 1.00 2.04 H new ATOM 0 HB2 GLU A 31 -3.899 -5.906 -13.434 1.00 72.10 H new ATOM 0 HB3 GLU A 31 -4.188 -4.189 -13.233 1.00 72.10 H new ATOM 0 HG2 GLU A 31 -1.344 -5.115 -13.493 1.00 71.30 H new ATOM 0 HG3 GLU A 31 -2.351 -5.136 -14.927 1.00 71.30 H new ATOM 329 N GLU A 32 -4.832 -3.540 -10.840 1.00 11.50 N ATOM 330 CA GLU A 32 -5.345 -2.346 -10.180 1.00 65.30 C ATOM 331 C GLU A 32 -5.002 -2.357 -8.701 1.00 25.00 C ATOM 332 O GLU A 32 -4.748 -1.310 -8.105 1.00 35.10 O ATOM 333 CB GLU A 32 -6.861 -2.247 -10.370 1.00 22.10 C ATOM 334 CG GLU A 32 -7.404 -0.839 -10.190 1.00 74.00 C ATOM 335 CD GLU A 32 -7.601 -0.121 -11.510 1.00 31.20 C ATOM 336 OE1 GLU A 32 -8.193 -0.723 -12.430 1.00 22.00 O ATOM 337 OE2 GLU A 32 -7.165 1.044 -11.620 1.00 31.50 O ATOM 0 H GLU A 32 -5.549 -4.127 -11.266 1.00 11.50 H new ATOM 0 HA GLU A 32 -4.873 -1.475 -10.634 1.00 65.30 H new ATOM 0 HB2 GLU A 32 -7.118 -2.602 -11.368 1.00 22.10 H new ATOM 0 HB3 GLU A 32 -7.352 -2.911 -9.659 1.00 22.10 H new ATOM 0 HG2 GLU A 32 -8.355 -0.885 -9.659 1.00 74.00 H new ATOM 0 HG3 GLU A 32 -6.718 -0.265 -9.567 1.00 74.00 H new ATOM 344 N ALA A 33 -4.996 -3.547 -8.109 1.00 24.20 N ATOM 345 CA ALA A 33 -4.683 -3.694 -6.693 1.00 53.30 C ATOM 346 C ALA A 33 -3.213 -3.397 -6.422 1.00 33.50 C ATOM 347 O ALA A 33 -2.865 -2.828 -5.387 1.00 52.10 O ATOM 348 CB ALA A 33 -5.037 -5.095 -6.218 1.00 72.40 C ATOM 0 H ALA A 33 -5.204 -4.423 -8.588 1.00 24.20 H new ATOM 0 HA ALA A 33 -5.280 -2.972 -6.137 1.00 53.30 H new ATOM 0 HB1 ALA A 33 -4.798 -5.191 -5.159 1.00 72.40 H new ATOM 0 HB2 ALA A 33 -6.102 -5.272 -6.367 1.00 72.40 H new ATOM 0 HB3 ALA A 33 -4.465 -5.828 -6.787 1.00 72.40 H new ATOM 354 N LEU A 34 -2.353 -3.785 -7.358 1.00 73.30 N ATOM 355 CA LEU A 34 -0.919 -3.560 -7.220 1.00 12.10 C ATOM 356 C LEU A 34 -0.610 -2.071 -7.107 1.00 65.50 C ATOM 357 O LEU A 34 0.075 -1.637 -6.182 1.00 2.20 O ATOM 358 CB LEU A 34 -0.170 -4.160 -8.411 1.00 1.11 C ATOM 359 CG LEU A 34 1.346 -3.956 -8.393 1.00 50.20 C ATOM 360 CD1 LEU A 34 1.986 -4.814 -7.312 1.00 63.50 C ATOM 361 CD2 LEU A 34 1.942 -4.278 -9.755 1.00 44.20 C ATOM 0 H LEU A 34 -2.625 -4.257 -8.221 1.00 73.30 H new ATOM 0 HA LEU A 34 -0.586 -4.052 -6.306 1.00 12.10 H new ATOM 0 HB2 LEU A 34 -0.377 -5.230 -8.449 1.00 1.11 H new ATOM 0 HB3 LEU A 34 -0.569 -3.725 -9.328 1.00 1.11 H new ATOM 0 HG LEU A 34 1.551 -2.910 -8.167 1.00 50.20 H new ATOM 0 HD11 LEU A 34 3.065 -4.656 -7.313 1.00 63.50 H new ATOM 0 HD12 LEU A 34 1.580 -4.536 -6.339 1.00 63.50 H new ATOM 0 HD13 LEU A 34 1.773 -5.865 -7.508 1.00 63.50 H new ATOM 0 HD21 LEU A 34 3.021 -4.128 -9.725 1.00 44.20 H new ATOM 0 HD22 LEU A 34 1.727 -5.316 -10.010 1.00 44.20 H new ATOM 0 HD23 LEU A 34 1.505 -3.622 -10.508 1.00 44.20 H new ATOM 373 N GLN A 35 -1.121 -1.293 -8.056 1.00 61.40 N ATOM 374 CA GLN A 35 -0.900 0.149 -8.064 1.00 52.30 C ATOM 375 C GLN A 35 -1.465 0.792 -6.801 1.00 54.10 C ATOM 376 O GLN A 35 -0.916 1.769 -6.292 1.00 21.40 O ATOM 377 CB GLN A 35 -1.542 0.778 -9.302 1.00 0.22 C ATOM 378 CG GLN A 35 -3.027 0.482 -9.434 1.00 10.40 C ATOM 379 CD GLN A 35 -3.742 1.474 -10.330 1.00 64.30 C ATOM 380 OE1 GLN A 35 -4.216 1.123 -11.410 1.00 32.30 O ATOM 381 NE2 GLN A 35 -3.822 2.723 -9.885 1.00 11.40 N ATOM 0 H GLN A 35 -1.691 -1.637 -8.829 1.00 61.40 H new ATOM 0 HA GLN A 35 0.175 0.327 -8.091 1.00 52.30 H new ATOM 0 HB2 GLN A 35 -1.397 1.858 -9.267 1.00 0.22 H new ATOM 0 HB3 GLN A 35 -1.027 0.416 -10.192 1.00 0.22 H new ATOM 0 HG2 GLN A 35 -3.159 -0.524 -9.833 1.00 10.40 H new ATOM 0 HG3 GLN A 35 -3.486 0.495 -8.445 1.00 10.40 H new ATOM 0 HE21 GLN A 35 -3.415 2.970 -8.983 1.00 11.40 H new ATOM 0 HE22 GLN A 35 -4.291 3.435 -10.445 1.00 11.40 H new ATOM 390 N LEU A 36 -2.565 0.238 -6.302 1.00 52.50 N ATOM 391 CA LEU A 36 -3.204 0.758 -5.099 1.00 40.50 C ATOM 392 C LEU A 36 -2.376 0.433 -3.859 1.00 10.30 C ATOM 393 O LEU A 36 -2.246 1.257 -2.954 1.00 34.10 O ATOM 394 CB LEU A 36 -4.612 0.177 -4.952 1.00 22.20 C ATOM 395 CG LEU A 36 -5.604 0.604 -6.036 1.00 3.21 C ATOM 396 CD1 LEU A 36 -6.758 -0.382 -6.120 1.00 54.30 C ATOM 397 CD2 LEU A 36 -6.119 2.009 -5.762 1.00 52.40 C ATOM 0 H LEU A 36 -3.032 -0.571 -6.712 1.00 52.50 H new ATOM 0 HA LEU A 36 -3.273 1.842 -5.194 1.00 40.50 H new ATOM 0 HB2 LEU A 36 -4.542 -0.911 -4.953 1.00 22.20 H new ATOM 0 HB3 LEU A 36 -5.010 0.470 -3.981 1.00 22.20 H new ATOM 0 HG LEU A 36 -5.087 0.609 -6.995 1.00 3.21 H new ATOM 0 HD11 LEU A 36 -7.454 -0.063 -6.896 1.00 54.30 H new ATOM 0 HD12 LEU A 36 -6.373 -1.373 -6.363 1.00 54.30 H new ATOM 0 HD13 LEU A 36 -7.276 -0.419 -5.161 1.00 54.30 H new ATOM 0 HD21 LEU A 36 -6.823 2.297 -6.542 1.00 52.40 H new ATOM 0 HD22 LEU A 36 -6.621 2.030 -4.795 1.00 52.40 H new ATOM 0 HD23 LEU A 36 -5.282 2.708 -5.752 1.00 52.40 H new ATOM 409 N TYR A 37 -1.819 -0.773 -3.825 1.00 3.30 N ATOM 410 CA TYR A 37 -1.004 -1.207 -2.697 1.00 12.10 C ATOM 411 C TYR A 37 0.206 -0.295 -2.517 1.00 33.30 C ATOM 412 O TYR A 37 0.508 0.139 -1.406 1.00 64.30 O ATOM 413 CB TYR A 37 -0.542 -2.651 -2.900 1.00 5.12 C ATOM 414 CG TYR A 37 -1.659 -3.665 -2.791 1.00 13.00 C ATOM 415 CD1 TYR A 37 -2.603 -3.581 -1.775 1.00 32.50 C ATOM 416 CD2 TYR A 37 -1.769 -4.706 -3.704 1.00 40.10 C ATOM 417 CE1 TYR A 37 -3.625 -4.505 -1.673 1.00 73.20 C ATOM 418 CE2 TYR A 37 -2.788 -5.634 -3.608 1.00 60.30 C ATOM 419 CZ TYR A 37 -3.713 -5.530 -2.591 1.00 43.20 C ATOM 420 OH TYR A 37 -4.729 -6.452 -2.493 1.00 63.40 O ATOM 0 H TYR A 37 -1.917 -1.467 -4.566 1.00 3.30 H new ATOM 0 HA TYR A 37 -1.616 -1.152 -1.797 1.00 12.10 H new ATOM 0 HB2 TYR A 37 -0.076 -2.740 -3.881 1.00 5.12 H new ATOM 0 HB3 TYR A 37 0.224 -2.886 -2.161 1.00 5.12 H new ATOM 0 HD1 TYR A 37 -2.537 -2.780 -1.053 1.00 32.50 H new ATOM 0 HD2 TYR A 37 -1.046 -4.791 -4.502 1.00 40.10 H new ATOM 0 HE1 TYR A 37 -4.352 -4.425 -0.878 1.00 73.20 H new ATOM 0 HE2 TYR A 37 -2.860 -6.437 -4.326 1.00 60.30 H new ATOM 0 HH TYR A 37 -5.544 -6.084 -2.893 1.00 63.40 H new ATOM 430 N GLN A 38 0.894 -0.010 -3.618 1.00 74.30 N ATOM 431 CA GLN A 38 2.071 0.851 -3.582 1.00 55.00 C ATOM 432 C GLN A 38 1.709 2.247 -3.086 1.00 42.50 C ATOM 433 O GLN A 38 2.461 2.864 -2.332 1.00 73.10 O ATOM 434 CB GLN A 38 2.707 0.939 -4.970 1.00 22.40 C ATOM 435 CG GLN A 38 3.034 -0.417 -5.576 1.00 35.20 C ATOM 436 CD GLN A 38 4.364 -0.424 -6.304 1.00 31.10 C ATOM 437 OE1 GLN A 38 5.393 -0.048 -5.744 1.00 1.24 O ATOM 438 NE2 GLN A 38 4.348 -0.853 -7.561 1.00 30.20 N ATOM 0 H GLN A 38 0.657 -0.362 -4.545 1.00 74.30 H new ATOM 0 HA GLN A 38 2.789 0.414 -2.888 1.00 55.00 H new ATOM 0 HB2 GLN A 38 2.030 1.472 -5.638 1.00 22.40 H new ATOM 0 HB3 GLN A 38 3.621 1.529 -4.905 1.00 22.40 H new ATOM 0 HG2 GLN A 38 3.052 -1.169 -4.787 1.00 35.20 H new ATOM 0 HG3 GLN A 38 2.243 -0.701 -6.270 1.00 35.20 H new ATOM 0 HE21 GLN A 38 3.471 -1.156 -7.986 1.00 30.20 H new ATOM 0 HE22 GLN A 38 5.212 -0.880 -8.102 1.00 30.20 H new ATOM 447 N HIS A 39 0.552 2.741 -3.516 1.00 22.30 N ATOM 448 CA HIS A 39 0.090 4.065 -3.117 1.00 42.10 C ATOM 449 C HIS A 39 -0.087 4.145 -1.604 1.00 65.50 C ATOM 450 O HIS A 39 0.357 5.101 -0.967 1.00 41.10 O ATOM 451 CB HIS A 39 -1.230 4.399 -3.815 1.00 32.40 C ATOM 452 CG HIS A 39 -1.052 5.108 -5.121 1.00 75.10 C ATOM 453 ND1 HIS A 39 -2.107 5.606 -5.857 1.00 72.30 N ATOM 454 CD2 HIS A 39 0.067 5.404 -5.824 1.00 21.50 C ATOM 455 CE1 HIS A 39 -1.645 6.175 -6.956 1.00 72.00 C ATOM 456 NE2 HIS A 39 -0.329 6.067 -6.960 1.00 74.00 N ATOM 0 H HIS A 39 -0.083 2.244 -4.141 1.00 22.30 H new ATOM 0 HA HIS A 39 0.845 4.792 -3.416 1.00 42.10 H new ATOM 0 HB2 HIS A 39 -1.786 3.477 -3.984 1.00 32.40 H new ATOM 0 HB3 HIS A 39 -1.835 5.019 -3.153 1.00 32.40 H new ATOM 0 HD2 HIS A 39 1.082 5.164 -5.544 1.00 21.50 H new ATOM 0 HE1 HIS A 39 -2.242 6.648 -7.721 1.00 72.00 H new ATOM 0 HE2 HIS A 39 0.293 6.419 -7.688 1.00 74.00 H new ATOM 465 N ALA A 40 -0.738 3.136 -1.035 1.00 4.41 N ATOM 466 CA ALA A 40 -0.973 3.093 0.403 1.00 50.50 C ATOM 467 C ALA A 40 0.342 3.101 1.175 1.00 44.10 C ATOM 468 O ALA A 40 0.476 3.791 2.185 1.00 35.00 O ATOM 469 CB ALA A 40 -1.793 1.864 0.767 1.00 61.20 C ATOM 0 H ALA A 40 -1.112 2.337 -1.548 1.00 4.41 H new ATOM 0 HA ALA A 40 -1.533 3.986 0.681 1.00 50.50 H new ATOM 0 HB1 ALA A 40 -1.961 1.845 1.844 1.00 61.20 H new ATOM 0 HB2 ALA A 40 -2.752 1.901 0.251 1.00 61.20 H new ATOM 0 HB3 ALA A 40 -1.254 0.965 0.468 1.00 61.20 H new ATOM 475 N VAL A 41 1.310 2.328 0.693 1.00 11.40 N ATOM 476 CA VAL A 41 2.615 2.246 1.337 1.00 62.00 C ATOM 477 C VAL A 41 3.335 3.590 1.291 1.00 55.20 C ATOM 478 O VAL A 41 4.084 3.936 2.204 1.00 31.20 O ATOM 479 CB VAL A 41 3.504 1.177 0.674 1.00 52.10 C ATOM 480 CG1 VAL A 41 4.797 0.996 1.455 1.00 54.30 C ATOM 481 CG2 VAL A 41 2.757 -0.144 0.556 1.00 62.50 C ATOM 0 H VAL A 41 1.215 1.750 -0.142 1.00 11.40 H new ATOM 0 HA VAL A 41 2.438 1.966 2.375 1.00 62.00 H new ATOM 0 HB VAL A 41 3.757 1.517 -0.330 1.00 52.10 H new ATOM 0 HG11 VAL A 41 5.411 0.237 0.971 1.00 54.30 H new ATOM 0 HG12 VAL A 41 5.341 1.940 1.482 1.00 54.30 H new ATOM 0 HG13 VAL A 41 4.566 0.681 2.473 1.00 54.30 H new ATOM 0 HG21 VAL A 41 3.402 -0.886 0.085 1.00 62.50 H new ATOM 0 HG22 VAL A 41 2.471 -0.490 1.549 1.00 62.50 H new ATOM 0 HG23 VAL A 41 1.863 -0.003 -0.051 1.00 62.50 H new ATOM 491 N GLN A 42 3.102 4.344 0.222 1.00 13.40 N ATOM 492 CA GLN A 42 3.728 5.650 0.056 1.00 54.30 C ATOM 493 C GLN A 42 3.197 6.642 1.086 1.00 72.20 C ATOM 494 O GLN A 42 3.968 7.337 1.748 1.00 35.50 O ATOM 495 CB GLN A 42 3.480 6.183 -1.356 1.00 12.30 C ATOM 496 CG GLN A 42 4.528 5.741 -2.365 1.00 45.50 C ATOM 497 CD GLN A 42 4.578 6.641 -3.585 1.00 44.40 C ATOM 498 OE1 GLN A 42 4.064 6.294 -4.648 1.00 15.20 O ATOM 499 NE2 GLN A 42 5.201 7.805 -3.436 1.00 2.22 N ATOM 0 H GLN A 42 2.484 4.073 -0.543 1.00 13.40 H new ATOM 0 HA GLN A 42 4.801 5.533 0.209 1.00 54.30 H new ATOM 0 HB2 GLN A 42 2.499 5.850 -1.694 1.00 12.30 H new ATOM 0 HB3 GLN A 42 3.454 7.272 -1.325 1.00 12.30 H new ATOM 0 HG2 GLN A 42 5.507 5.730 -1.886 1.00 45.50 H new ATOM 0 HG3 GLN A 42 4.316 4.719 -2.680 1.00 45.50 H new ATOM 0 HE21 GLN A 42 5.613 8.051 -2.536 1.00 2.22 H new ATOM 0 HE22 GLN A 42 5.267 8.452 -4.222 1.00 2.22 H new ATOM 508 N TYR A 43 1.876 6.702 1.216 1.00 75.50 N ATOM 509 CA TYR A 43 1.242 7.609 2.166 1.00 12.00 C ATOM 510 C TYR A 43 1.424 7.113 3.597 1.00 24.20 C ATOM 511 O TYR A 43 1.609 7.905 4.520 1.00 60.50 O ATOM 512 CB TYR A 43 -0.248 7.753 1.849 1.00 4.40 C ATOM 513 CG TYR A 43 -0.525 8.252 0.449 1.00 21.20 C ATOM 514 CD1 TYR A 43 -0.223 9.558 0.084 1.00 40.40 C ATOM 515 CD2 TYR A 43 -1.087 7.416 -0.508 1.00 11.40 C ATOM 516 CE1 TYR A 43 -0.475 10.017 -1.195 1.00 41.30 C ATOM 517 CE2 TYR A 43 -1.341 7.868 -1.789 1.00 11.30 C ATOM 518 CZ TYR A 43 -1.033 9.169 -2.128 1.00 34.30 C ATOM 519 OH TYR A 43 -1.285 9.622 -3.402 1.00 53.20 O ATOM 0 H TYR A 43 1.224 6.134 0.676 1.00 75.50 H new ATOM 0 HA TYR A 43 1.722 8.584 2.075 1.00 12.00 H new ATOM 0 HB2 TYR A 43 -0.734 6.787 1.984 1.00 4.40 H new ATOM 0 HB3 TYR A 43 -0.698 8.439 2.566 1.00 4.40 H new ATOM 0 HD1 TYR A 43 0.216 10.225 0.811 1.00 40.40 H new ATOM 0 HD2 TYR A 43 -1.329 6.397 -0.247 1.00 11.40 H new ATOM 0 HE1 TYR A 43 -0.236 11.036 -1.463 1.00 41.30 H new ATOM 0 HE2 TYR A 43 -1.779 7.206 -2.521 1.00 11.30 H new ATOM 0 HH TYR A 43 -1.678 8.899 -3.934 1.00 53.20 H new ATOM 529 N PHE A 44 1.369 5.797 3.772 1.00 74.50 N ATOM 530 CA PHE A 44 1.528 5.195 5.091 1.00 22.10 C ATOM 531 C PHE A 44 2.892 5.535 5.684 1.00 4.00 C ATOM 532 O PHE A 44 2.994 5.928 6.846 1.00 13.20 O ATOM 533 CB PHE A 44 1.361 3.676 5.004 1.00 10.10 C ATOM 534 CG PHE A 44 -0.064 3.221 5.134 1.00 61.00 C ATOM 535 CD1 PHE A 44 -0.869 3.701 6.154 1.00 2.54 C ATOM 536 CD2 PHE A 44 -0.599 2.313 4.234 1.00 21.40 C ATOM 537 CE1 PHE A 44 -2.181 3.284 6.276 1.00 31.40 C ATOM 538 CE2 PHE A 44 -1.911 1.892 4.351 1.00 12.20 C ATOM 539 CZ PHE A 44 -2.702 2.378 5.373 1.00 1.42 C ATOM 0 H PHE A 44 1.216 5.127 3.018 1.00 74.50 H new ATOM 0 HA PHE A 44 0.756 5.602 5.744 1.00 22.10 H new ATOM 0 HB2 PHE A 44 1.759 3.329 4.051 1.00 10.10 H new ATOM 0 HB3 PHE A 44 1.956 3.208 5.788 1.00 10.10 H new ATOM 0 HD1 PHE A 44 -0.466 4.410 6.863 1.00 2.54 H new ATOM 0 HD2 PHE A 44 0.015 1.930 3.433 1.00 21.40 H new ATOM 0 HE1 PHE A 44 -2.798 3.666 7.076 1.00 31.40 H new ATOM 0 HE2 PHE A 44 -2.317 1.184 3.644 1.00 12.20 H new ATOM 0 HZ PHE A 44 -3.727 2.050 5.466 1.00 1.42 H new ATOM 549 N LEU A 45 3.937 5.381 4.877 1.00 4.14 N ATOM 550 CA LEU A 45 5.295 5.672 5.322 1.00 54.50 C ATOM 551 C LEU A 45 5.516 7.176 5.446 1.00 4.24 C ATOM 552 O LEU A 45 6.286 7.633 6.291 1.00 22.20 O ATOM 553 CB LEU A 45 6.312 5.074 4.348 1.00 5.04 C ATOM 554 CG LEU A 45 6.278 3.549 4.233 1.00 25.30 C ATOM 555 CD1 LEU A 45 7.218 3.076 3.135 1.00 42.10 C ATOM 556 CD2 LEU A 45 6.644 2.907 5.563 1.00 43.30 C ATOM 0 H LEU A 45 3.869 5.057 3.912 1.00 4.14 H new ATOM 0 HA LEU A 45 5.434 5.220 6.304 1.00 54.50 H new ATOM 0 HB2 LEU A 45 6.141 5.502 3.360 1.00 5.04 H new ATOM 0 HB3 LEU A 45 7.312 5.378 4.658 1.00 5.04 H new ATOM 0 HG LEU A 45 5.264 3.245 3.971 1.00 25.30 H new ATOM 0 HD11 LEU A 45 7.181 1.989 3.068 1.00 42.10 H new ATOM 0 HD12 LEU A 45 6.912 3.509 2.183 1.00 42.10 H new ATOM 0 HD13 LEU A 45 8.236 3.390 3.367 1.00 42.10 H new ATOM 0 HD21 LEU A 45 6.615 1.822 5.463 1.00 43.30 H new ATOM 0 HD22 LEU A 45 7.648 3.218 5.853 1.00 43.30 H new ATOM 0 HD23 LEU A 45 5.932 3.221 6.326 1.00 43.30 H new ATOM 568 N HIS A 46 4.836 7.941 4.598 1.00 53.30 N ATOM 569 CA HIS A 46 4.959 9.394 4.612 1.00 33.40 C ATOM 570 C HIS A 46 4.529 9.963 5.961 1.00 42.00 C ATOM 571 O HIS A 46 5.110 10.931 6.451 1.00 44.10 O ATOM 572 CB HIS A 46 4.115 10.009 3.495 1.00 32.20 C ATOM 573 CG HIS A 46 4.241 11.498 3.400 1.00 51.20 C ATOM 574 ND1 HIS A 46 3.474 12.487 3.917 1.00 42.00 N flip ATOM 575 CD2 HIS A 46 5.254 12.125 2.705 1.00 4.02 C flip ATOM 576 CE1 HIS A 46 4.033 13.680 3.529 1.00 61.30 C flip ATOM 577 NE2 HIS A 46 5.105 13.435 2.799 1.00 3.15 N flip ATOM 0 H HIS A 46 4.194 7.579 3.893 1.00 53.30 H new ATOM 0 HA HIS A 46 6.007 9.647 4.448 1.00 33.40 H new ATOM 0 HB2 HIS A 46 4.409 9.566 2.543 1.00 32.20 H new ATOM 0 HB3 HIS A 46 3.069 9.751 3.657 1.00 32.20 H new ATOM 0 HD2 HIS A 46 6.046 11.624 2.168 1.00 4.02 H new ATOM 0 HE1 HIS A 46 3.656 14.660 3.781 1.00 61.30 H new ATOM 0 HE2 HIS A 46 5.714 14.137 2.379 1.00 3.15 H new ATOM 586 N VAL A 47 3.509 9.354 6.556 1.00 53.20 N ATOM 587 CA VAL A 47 3.001 9.800 7.848 1.00 73.00 C ATOM 588 C VAL A 47 3.941 9.389 8.977 1.00 53.50 C ATOM 589 O VAL A 47 4.243 10.185 9.867 1.00 24.00 O ATOM 590 CB VAL A 47 1.598 9.229 8.129 1.00 45.40 C ATOM 591 CG1 VAL A 47 1.021 9.828 9.403 1.00 70.30 C ATOM 592 CG2 VAL A 47 0.671 9.478 6.948 1.00 21.10 C ATOM 0 H VAL A 47 3.018 8.550 6.164 1.00 53.20 H new ATOM 0 HA VAL A 47 2.939 10.887 7.806 1.00 73.00 H new ATOM 0 HB VAL A 47 1.688 8.152 8.270 1.00 45.40 H new ATOM 0 HG11 VAL A 47 0.030 9.412 9.584 1.00 70.30 H new ATOM 0 HG12 VAL A 47 1.673 9.592 10.244 1.00 70.30 H new ATOM 0 HG13 VAL A 47 0.946 10.910 9.295 1.00 70.30 H new ATOM 0 HG21 VAL A 47 -0.315 9.067 7.166 1.00 21.10 H new ATOM 0 HG22 VAL A 47 0.586 10.550 6.772 1.00 21.10 H new ATOM 0 HG23 VAL A 47 1.077 8.995 6.059 1.00 21.10 H new ATOM 602 N VAL A 48 4.400 8.143 8.934 1.00 33.40 N ATOM 603 CA VAL A 48 5.306 7.627 9.953 1.00 40.30 C ATOM 604 C VAL A 48 6.647 8.351 9.912 1.00 20.40 C ATOM 605 O VAL A 48 7.265 8.593 10.949 1.00 14.00 O ATOM 606 CB VAL A 48 5.546 6.115 9.780 1.00 24.20 C ATOM 607 CG1 VAL A 48 6.364 5.565 10.938 1.00 64.00 C ATOM 608 CG2 VAL A 48 4.223 5.373 9.654 1.00 60.20 C ATOM 0 H VAL A 48 4.159 7.472 8.204 1.00 33.40 H new ATOM 0 HA VAL A 48 4.830 7.803 10.918 1.00 40.30 H new ATOM 0 HB VAL A 48 6.112 5.961 8.861 1.00 24.20 H new ATOM 0 HG11 VAL A 48 6.522 4.496 10.796 1.00 64.00 H new ATOM 0 HG12 VAL A 48 7.328 6.072 10.976 1.00 64.00 H new ATOM 0 HG13 VAL A 48 5.829 5.732 11.873 1.00 64.00 H new ATOM 0 HG21 VAL A 48 4.414 4.307 9.533 1.00 60.20 H new ATOM 0 HG22 VAL A 48 3.628 5.535 10.553 1.00 60.20 H new ATOM 0 HG23 VAL A 48 3.678 5.745 8.786 1.00 60.20 H new ATOM 618 N LYS A 49 7.092 8.695 8.708 1.00 61.00 N ATOM 619 CA LYS A 49 8.360 9.392 8.532 1.00 31.50 C ATOM 620 C LYS A 49 8.238 10.856 8.943 1.00 24.40 C ATOM 621 O LYS A 49 9.162 11.428 9.522 1.00 61.50 O ATOM 622 CB LYS A 49 8.822 9.296 7.077 1.00 43.30 C ATOM 623 CG LYS A 49 10.326 9.428 6.906 1.00 52.10 C ATOM 624 CD LYS A 49 10.693 9.811 5.481 1.00 42.20 C ATOM 625 CE LYS A 49 10.851 11.315 5.332 1.00 12.40 C ATOM 626 NZ LYS A 49 12.258 11.751 5.551 1.00 31.40 N ATOM 0 H LYS A 49 6.593 8.502 7.840 1.00 61.00 H new ATOM 0 HA LYS A 49 9.100 8.913 9.173 1.00 31.50 H new ATOM 0 HB2 LYS A 49 8.501 8.339 6.665 1.00 43.30 H new ATOM 0 HB3 LYS A 49 8.329 10.075 6.496 1.00 43.30 H new ATOM 0 HG2 LYS A 49 10.707 10.181 7.596 1.00 52.10 H new ATOM 0 HG3 LYS A 49 10.807 8.485 7.166 1.00 52.10 H new ATOM 0 HD2 LYS A 49 11.622 9.317 5.198 1.00 42.20 H new ATOM 0 HD3 LYS A 49 9.922 9.456 4.797 1.00 42.20 H new ATOM 0 HE2 LYS A 49 10.529 11.617 4.335 1.00 12.40 H new ATOM 0 HE3 LYS A 49 10.199 11.821 6.045 1.00 12.40 H new ATOM 0 HZ1 LYS A 49 12.323 12.783 5.440 1.00 31.40 H new ATOM 0 HZ2 LYS A 49 12.558 11.486 6.511 1.00 31.40 H new ATOM 0 HZ3 LYS A 49 12.877 11.289 4.855 1.00 31.40 H new ATOM 640 N TYR A 50 7.092 11.457 8.640 1.00 33.30 N ATOM 641 CA TYR A 50 6.849 12.854 8.978 1.00 12.10 C ATOM 642 C TYR A 50 6.429 12.996 10.437 1.00 43.20 C ATOM 643 O TYR A 50 7.163 13.553 11.254 1.00 53.20 O ATOM 644 CB TYR A 50 5.771 13.441 8.065 1.00 41.40 C ATOM 645 CG TYR A 50 6.303 13.940 6.741 1.00 4.24 C ATOM 646 CD1 TYR A 50 6.970 13.085 5.873 1.00 64.10 C ATOM 647 CD2 TYR A 50 6.139 15.265 6.359 1.00 54.30 C ATOM 648 CE1 TYR A 50 7.459 13.537 4.661 1.00 24.40 C ATOM 649 CE2 TYR A 50 6.624 15.725 5.149 1.00 62.20 C ATOM 650 CZ TYR A 50 7.283 14.857 4.304 1.00 70.20 C ATOM 651 OH TYR A 50 7.767 15.311 3.099 1.00 21.10 O ATOM 0 H TYR A 50 6.317 10.998 8.161 1.00 33.30 H new ATOM 0 HA TYR A 50 7.778 13.404 8.832 1.00 12.10 H new ATOM 0 HB2 TYR A 50 5.012 12.681 7.879 1.00 41.40 H new ATOM 0 HB3 TYR A 50 5.278 14.264 8.582 1.00 41.40 H new ATOM 0 HD1 TYR A 50 7.109 12.050 6.149 1.00 64.10 H new ATOM 0 HD2 TYR A 50 5.624 15.948 7.018 1.00 54.30 H new ATOM 0 HE1 TYR A 50 7.976 12.860 3.998 1.00 24.40 H new ATOM 0 HE2 TYR A 50 6.488 16.759 4.867 1.00 62.20 H new ATOM 0 HH TYR A 50 7.559 16.264 3.001 1.00 21.10 H new ATOM 661 N GLU A 51 5.243 12.489 10.758 1.00 53.10 N ATOM 662 CA GLU A 51 4.725 12.558 12.119 1.00 32.10 C ATOM 663 C GLU A 51 3.448 11.736 12.258 1.00 42.40 C ATOM 664 O GLU A 51 2.364 12.188 11.892 1.00 31.10 O ATOM 665 CB GLU A 51 4.454 14.012 12.510 1.00 40.10 C ATOM 666 CG GLU A 51 3.729 14.806 11.436 1.00 54.40 C ATOM 667 CD GLU A 51 3.386 16.214 11.883 1.00 21.10 C ATOM 668 OE1 GLU A 51 2.739 16.359 12.942 1.00 21.50 O ATOM 669 OE2 GLU A 51 3.764 17.170 11.175 1.00 72.30 O ATOM 0 H GLU A 51 4.623 12.026 10.094 1.00 53.10 H new ATOM 0 HA GLU A 51 5.478 12.142 12.789 1.00 32.10 H new ATOM 0 HB2 GLU A 51 3.862 14.029 13.425 1.00 40.10 H new ATOM 0 HB3 GLU A 51 5.402 14.502 12.735 1.00 40.10 H new ATOM 0 HG2 GLU A 51 4.351 14.854 10.542 1.00 54.40 H new ATOM 0 HG3 GLU A 51 2.813 14.284 11.159 1.00 54.40 H new ATOM 676 N ALA A 52 3.585 10.526 12.790 1.00 34.10 N ATOM 677 CA ALA A 52 2.442 9.640 12.978 1.00 72.10 C ATOM 678 C ALA A 52 1.584 10.093 14.153 1.00 11.40 C ATOM 679 O ALA A 52 1.848 11.128 14.765 1.00 42.20 O ATOM 680 CB ALA A 52 2.913 8.209 13.187 1.00 32.20 C ATOM 0 H ALA A 52 4.476 10.137 13.098 1.00 34.10 H new ATOM 0 HA ALA A 52 1.829 9.682 12.077 1.00 72.10 H new ATOM 0 HB1 ALA A 52 2.050 7.558 13.326 1.00 32.20 H new ATOM 0 HB2 ALA A 52 3.478 7.881 12.314 1.00 32.20 H new ATOM 0 HB3 ALA A 52 3.550 8.161 14.070 1.00 32.20 H new ATOM 686 N GLN A 53 0.554 9.312 14.464 1.00 64.40 N ATOM 687 CA GLN A 53 -0.344 9.633 15.567 1.00 54.20 C ATOM 688 C GLN A 53 0.342 9.409 16.910 1.00 73.00 C ATOM 689 O GLN A 53 0.269 10.252 17.804 1.00 35.20 O ATOM 690 CB GLN A 53 -1.614 8.785 15.482 1.00 23.30 C ATOM 691 CG GLN A 53 -2.211 8.722 14.085 1.00 50.10 C ATOM 692 CD GLN A 53 -3.715 8.529 14.103 1.00 0.22 C ATOM 693 OE1 GLN A 53 -4.434 9.229 14.816 1.00 2.43 O ATOM 694 NE2 GLN A 53 -4.198 7.574 13.316 1.00 72.40 N ATOM 0 H GLN A 53 0.321 8.452 13.967 1.00 64.40 H new ATOM 0 HA GLN A 53 -0.613 10.686 15.488 1.00 54.20 H new ATOM 0 HB2 GLN A 53 -1.388 7.773 15.818 1.00 23.30 H new ATOM 0 HB3 GLN A 53 -2.358 9.190 16.168 1.00 23.30 H new ATOM 0 HG2 GLN A 53 -1.973 9.641 13.550 1.00 50.10 H new ATOM 0 HG3 GLN A 53 -1.750 7.903 13.533 1.00 50.10 H new ATOM 0 HE21 GLN A 53 -3.565 7.018 12.742 1.00 72.40 H new ATOM 0 HE22 GLN A 53 -5.202 7.397 13.286 1.00 72.40 H new ATOM 703 N GLY A 54 1.009 8.267 17.045 1.00 24.50 N ATOM 704 CA GLY A 54 1.699 7.953 18.282 1.00 61.00 C ATOM 705 C GLY A 54 2.576 6.722 18.161 1.00 72.40 C ATOM 706 O GLY A 54 2.917 6.301 17.056 1.00 74.30 O ATOM 0 H GLY A 54 1.084 7.554 16.320 1.00 24.50 H new ATOM 0 HA2 GLY A 54 2.312 8.804 18.579 1.00 61.00 H new ATOM 0 HA3 GLY A 54 0.966 7.797 19.074 1.00 61.00 H new ATOM 710 N ASP A 55 2.940 6.143 19.301 1.00 31.20 N ATOM 711 CA ASP A 55 3.783 4.953 19.318 1.00 22.10 C ATOM 712 C ASP A 55 3.043 3.754 18.734 1.00 42.50 C ATOM 713 O ASP A 55 3.506 3.133 17.777 1.00 62.50 O ATOM 714 CB ASP A 55 4.233 4.642 20.746 1.00 13.40 C ATOM 715 CG ASP A 55 5.521 5.353 21.114 1.00 62.40 C ATOM 716 OD1 ASP A 55 6.596 4.908 20.659 1.00 4.01 O ATOM 717 OD2 ASP A 55 5.455 6.355 21.857 1.00 35.10 O ATOM 0 H ASP A 55 2.665 6.478 20.224 1.00 31.20 H new ATOM 0 HA ASP A 55 4.661 5.151 18.703 1.00 22.10 H new ATOM 0 HB2 ASP A 55 3.448 4.934 21.443 1.00 13.40 H new ATOM 0 HB3 ASP A 55 4.371 3.566 20.854 1.00 13.40 H new ATOM 722 N LYS A 56 1.892 3.435 19.315 1.00 23.40 N ATOM 723 CA LYS A 56 1.087 2.310 18.852 1.00 63.10 C ATOM 724 C LYS A 56 0.663 2.506 17.400 1.00 63.30 C ATOM 725 O LYS A 56 0.512 1.540 16.652 1.00 45.30 O ATOM 726 CB LYS A 56 -0.148 2.141 19.738 1.00 1.13 C ATOM 727 CG LYS A 56 0.080 1.228 20.932 1.00 4.55 C ATOM 728 CD LYS A 56 -1.204 0.532 21.355 1.00 62.10 C ATOM 729 CE LYS A 56 -0.922 -0.826 21.977 1.00 14.40 C ATOM 730 NZ LYS A 56 -2.048 -1.778 21.766 1.00 22.30 N ATOM 0 H LYS A 56 1.495 3.939 20.108 1.00 23.40 H new ATOM 0 HA LYS A 56 1.697 1.409 18.915 1.00 63.10 H new ATOM 0 HB2 LYS A 56 -0.465 3.121 20.096 1.00 1.13 H new ATOM 0 HB3 LYS A 56 -0.965 1.742 19.136 1.00 1.13 H new ATOM 0 HG2 LYS A 56 0.834 0.482 20.682 1.00 4.55 H new ATOM 0 HG3 LYS A 56 0.472 1.810 21.766 1.00 4.55 H new ATOM 0 HD2 LYS A 56 -1.739 1.157 22.070 1.00 62.10 H new ATOM 0 HD3 LYS A 56 -1.855 0.409 20.489 1.00 62.10 H new ATOM 0 HE2 LYS A 56 -0.011 -1.240 21.546 1.00 14.40 H new ATOM 0 HE3 LYS A 56 -0.743 -0.706 23.046 1.00 14.40 H new ATOM 0 HZ1 LYS A 56 -1.817 -2.692 22.205 1.00 22.30 H new ATOM 0 HZ2 LYS A 56 -2.912 -1.395 22.199 1.00 22.30 H new ATOM 0 HZ3 LYS A 56 -2.202 -1.913 20.746 1.00 22.30 H new ATOM 744 N ALA A 57 0.474 3.762 17.009 1.00 71.50 N ATOM 745 CA ALA A 57 0.067 4.084 15.646 1.00 12.40 C ATOM 746 C ALA A 57 1.144 3.685 14.643 1.00 31.00 C ATOM 747 O ALA A 57 0.852 3.086 13.608 1.00 4.14 O ATOM 748 CB ALA A 57 -0.245 5.568 15.527 1.00 23.20 C ATOM 0 H ALA A 57 0.596 4.573 17.616 1.00 71.50 H new ATOM 0 HA ALA A 57 -0.834 3.515 15.417 1.00 12.40 H new ATOM 0 HB1 ALA A 57 -0.548 5.795 14.505 1.00 23.20 H new ATOM 0 HB2 ALA A 57 -1.054 5.826 16.211 1.00 23.20 H new ATOM 0 HB3 ALA A 57 0.643 6.148 15.780 1.00 23.20 H new ATOM 754 N LYS A 58 2.391 4.022 14.957 1.00 64.10 N ATOM 755 CA LYS A 58 3.513 3.699 14.082 1.00 12.50 C ATOM 756 C LYS A 58 3.631 2.191 13.884 1.00 53.30 C ATOM 757 O LYS A 58 3.852 1.717 12.770 1.00 74.40 O ATOM 758 CB LYS A 58 4.815 4.252 14.663 1.00 44.10 C ATOM 759 CG LYS A 58 4.826 5.766 14.799 1.00 73.20 C ATOM 760 CD LYS A 58 5.745 6.218 15.922 1.00 12.40 C ATOM 761 CE LYS A 58 5.535 7.686 16.257 1.00 34.20 C ATOM 762 NZ LYS A 58 6.216 8.581 15.281 1.00 55.20 N ATOM 0 H LYS A 58 2.650 4.518 15.810 1.00 64.10 H new ATOM 0 HA LYS A 58 3.331 4.162 13.112 1.00 12.50 H new ATOM 0 HB2 LYS A 58 4.984 3.806 15.643 1.00 44.10 H new ATOM 0 HB3 LYS A 58 5.646 3.947 14.027 1.00 44.10 H new ATOM 0 HG2 LYS A 58 5.150 6.214 13.860 1.00 73.20 H new ATOM 0 HG3 LYS A 58 3.814 6.123 14.990 1.00 73.20 H new ATOM 0 HD2 LYS A 58 5.563 5.612 16.809 1.00 12.40 H new ATOM 0 HD3 LYS A 58 6.783 6.055 15.632 1.00 12.40 H new ATOM 0 HE2 LYS A 58 4.468 7.907 16.269 1.00 34.20 H new ATOM 0 HE3 LYS A 58 5.913 7.887 17.259 1.00 34.20 H new ATOM 0 HZ1 LYS A 58 6.049 9.573 15.544 1.00 55.20 H new ATOM 0 HZ2 LYS A 58 7.238 8.389 15.288 1.00 55.20 H new ATOM 0 HZ3 LYS A 58 5.838 8.407 14.328 1.00 55.20 H new ATOM 776 N GLN A 59 3.483 1.443 14.972 1.00 60.00 N ATOM 777 CA GLN A 59 3.573 -0.012 14.917 1.00 0.11 C ATOM 778 C GLN A 59 2.489 -0.591 14.015 1.00 65.30 C ATOM 779 O GLN A 59 2.695 -1.609 13.355 1.00 12.00 O ATOM 780 CB GLN A 59 3.454 -0.604 16.323 1.00 73.20 C ATOM 781 CG GLN A 59 4.784 -0.720 17.049 1.00 10.00 C ATOM 782 CD GLN A 59 5.641 -1.852 16.518 1.00 74.10 C ATOM 783 OE1 GLN A 59 5.786 -2.022 15.308 1.00 70.10 O ATOM 784 NE2 GLN A 59 6.214 -2.636 17.425 1.00 2.42 N ATOM 0 H GLN A 59 3.300 1.820 15.902 1.00 60.00 H new ATOM 0 HA GLN A 59 4.545 -0.276 14.500 1.00 0.11 H new ATOM 0 HB2 GLN A 59 2.780 0.017 16.914 1.00 73.20 H new ATOM 0 HB3 GLN A 59 2.999 -1.592 16.255 1.00 73.20 H new ATOM 0 HG2 GLN A 59 5.329 0.219 16.953 1.00 10.00 H new ATOM 0 HG3 GLN A 59 4.601 -0.876 18.112 1.00 10.00 H new ATOM 0 HE21 GLN A 59 6.067 -2.459 18.419 1.00 2.42 H new ATOM 0 HE22 GLN A 59 6.801 -3.415 17.128 1.00 2.42 H new ATOM 793 N SER A 60 1.333 0.065 13.991 1.00 13.10 N ATOM 794 CA SER A 60 0.215 -0.384 13.170 1.00 2.40 C ATOM 795 C SER A 60 0.533 -0.227 11.686 1.00 40.40 C ATOM 796 O SER A 60 0.196 -1.088 10.874 1.00 11.10 O ATOM 797 CB SER A 60 -1.050 0.401 13.519 1.00 54.40 C ATOM 798 OG SER A 60 -2.203 -0.416 13.414 1.00 44.10 O ATOM 0 H SER A 60 1.146 0.910 14.531 1.00 13.10 H new ATOM 0 HA SER A 60 0.046 -1.441 13.377 1.00 2.40 H new ATOM 0 HB2 SER A 60 -0.970 0.794 14.533 1.00 54.40 H new ATOM 0 HB3 SER A 60 -1.146 1.258 12.852 1.00 54.40 H new ATOM 0 HG SER A 60 -2.998 0.109 13.644 1.00 44.10 H new ATOM 804 N ILE A 61 1.183 0.880 11.340 1.00 55.30 N ATOM 805 CA ILE A 61 1.546 1.150 9.954 1.00 40.30 C ATOM 806 C ILE A 61 2.709 0.270 9.509 1.00 41.40 C ATOM 807 O ILE A 61 2.784 -0.138 8.350 1.00 64.20 O ATOM 808 CB ILE A 61 1.928 2.629 9.751 1.00 73.20 C ATOM 809 CG1 ILE A 61 0.858 3.543 10.349 1.00 3.42 C ATOM 810 CG2 ILE A 61 2.122 2.929 8.272 1.00 20.40 C ATOM 811 CD1 ILE A 61 1.235 5.008 10.332 1.00 21.10 C ATOM 0 H ILE A 61 1.469 1.603 12.000 1.00 55.30 H new ATOM 0 HA ILE A 61 0.669 0.923 9.347 1.00 40.30 H new ATOM 0 HB ILE A 61 2.869 2.818 10.267 1.00 73.20 H new ATOM 0 HG12 ILE A 61 -0.072 3.409 9.797 1.00 3.42 H new ATOM 0 HG13 ILE A 61 0.665 3.238 11.377 1.00 3.42 H new ATOM 0 HG21 ILE A 61 2.391 3.978 8.146 1.00 20.40 H new ATOM 0 HG22 ILE A 61 2.918 2.299 7.874 1.00 20.40 H new ATOM 0 HG23 ILE A 61 1.196 2.725 7.735 1.00 20.40 H new ATOM 0 HD11 ILE A 61 0.429 5.596 10.771 1.00 21.10 H new ATOM 0 HD12 ILE A 61 2.148 5.155 10.909 1.00 21.10 H new ATOM 0 HD13 ILE A 61 1.400 5.329 9.304 1.00 21.10 H new ATOM 823 N ARG A 62 3.614 -0.019 10.438 1.00 65.10 N ATOM 824 CA ARG A 62 4.774 -0.852 10.142 1.00 33.20 C ATOM 825 C ARG A 62 4.343 -2.239 9.677 1.00 1.24 C ATOM 826 O ARG A 62 4.864 -2.765 8.694 1.00 73.20 O ATOM 827 CB ARG A 62 5.672 -0.970 11.375 1.00 52.20 C ATOM 828 CG ARG A 62 6.691 0.151 11.494 1.00 41.10 C ATOM 829 CD ARG A 62 7.537 0.003 12.749 1.00 21.40 C ATOM 830 NE ARG A 62 7.974 1.295 13.270 1.00 21.20 N ATOM 831 CZ ARG A 62 8.908 2.049 12.695 1.00 33.40 C ATOM 832 NH1 ARG A 62 9.505 1.644 11.581 1.00 53.30 N ATOM 833 NH2 ARG A 62 9.247 3.212 13.234 1.00 22.40 N ATOM 0 H ARG A 62 3.567 0.311 11.402 1.00 65.10 H new ATOM 0 HA ARG A 62 5.335 -0.377 9.337 1.00 33.20 H new ATOM 0 HB2 ARG A 62 5.048 -0.979 12.269 1.00 52.20 H new ATOM 0 HB3 ARG A 62 6.197 -1.925 11.342 1.00 52.20 H new ATOM 0 HG2 ARG A 62 7.337 0.152 10.616 1.00 41.10 H new ATOM 0 HG3 ARG A 62 6.176 1.112 11.512 1.00 41.10 H new ATOM 0 HD2 ARG A 62 6.963 -0.521 13.513 1.00 21.40 H new ATOM 0 HD3 ARG A 62 8.409 -0.612 12.528 1.00 21.40 H new ATOM 0 HE ARG A 62 7.538 1.640 14.125 1.00 21.20 H new ATOM 0 HH11 ARG A 62 9.249 0.751 11.161 1.00 53.30 H new ATOM 0 HH12 ARG A 62 10.220 2.226 11.145 1.00 53.30 H new ATOM 0 HH21 ARG A 62 8.792 3.529 14.090 1.00 22.40 H new ATOM 0 HH22 ARG A 62 9.963 3.789 12.793 1.00 22.40 H new ATOM 847 N ALA A 63 3.388 -2.827 10.391 1.00 71.20 N ATOM 848 CA ALA A 63 2.887 -4.153 10.052 1.00 64.30 C ATOM 849 C ALA A 63 2.095 -4.123 8.749 1.00 61.20 C ATOM 850 O ALA A 63 2.131 -5.073 7.968 1.00 13.00 O ATOM 851 CB ALA A 63 2.026 -4.696 11.183 1.00 41.10 C ATOM 0 H ALA A 63 2.946 -2.405 11.208 1.00 71.20 H new ATOM 0 HA ALA A 63 3.742 -4.814 9.912 1.00 64.30 H new ATOM 0 HB1 ALA A 63 1.658 -5.687 10.917 1.00 41.10 H new ATOM 0 HB2 ALA A 63 2.621 -4.762 12.094 1.00 41.10 H new ATOM 0 HB3 ALA A 63 1.181 -4.028 11.350 1.00 41.10 H new ATOM 857 N LYS A 64 1.380 -3.026 8.522 1.00 2.51 N ATOM 858 CA LYS A 64 0.579 -2.873 7.314 1.00 24.20 C ATOM 859 C LYS A 64 1.466 -2.606 6.103 1.00 11.20 C ATOM 860 O LYS A 64 1.259 -3.175 5.031 1.00 34.40 O ATOM 861 CB LYS A 64 -0.427 -1.733 7.484 1.00 2.43 C ATOM 862 CG LYS A 64 -1.495 -2.016 8.529 1.00 62.10 C ATOM 863 CD LYS A 64 -1.959 -0.739 9.210 1.00 22.20 C ATOM 864 CE LYS A 64 -3.010 -0.016 8.382 1.00 13.50 C ATOM 865 NZ LYS A 64 -4.385 -0.499 8.685 1.00 72.10 N ATOM 0 H LYS A 64 1.339 -2.230 9.159 1.00 2.51 H new ATOM 0 HA LYS A 64 0.038 -3.804 7.148 1.00 24.20 H new ATOM 0 HB2 LYS A 64 0.109 -0.825 7.760 1.00 2.43 H new ATOM 0 HB3 LYS A 64 -0.910 -1.539 6.526 1.00 2.43 H new ATOM 0 HG2 LYS A 64 -2.346 -2.508 8.058 1.00 62.10 H new ATOM 0 HG3 LYS A 64 -1.101 -2.706 9.276 1.00 62.10 H new ATOM 0 HD2 LYS A 64 -2.368 -0.977 10.192 1.00 22.20 H new ATOM 0 HD3 LYS A 64 -1.105 -0.081 9.372 1.00 22.20 H new ATOM 0 HE2 LYS A 64 -2.951 1.055 8.575 1.00 13.50 H new ATOM 0 HE3 LYS A 64 -2.800 -0.161 7.322 1.00 13.50 H new ATOM 0 HZ1 LYS A 64 -5.072 0.019 8.100 1.00 72.10 H new ATOM 0 HZ2 LYS A 64 -4.450 -1.516 8.476 1.00 72.10 H new ATOM 0 HZ3 LYS A 64 -4.596 -0.338 9.691 1.00 72.10 H new ATOM 879 N CYS A 65 2.456 -1.737 6.281 1.00 44.10 N ATOM 880 CA CYS A 65 3.376 -1.394 5.203 1.00 15.00 C ATOM 881 C CYS A 65 4.121 -2.630 4.709 1.00 64.00 C ATOM 882 O CYS A 65 4.473 -2.727 3.534 1.00 24.40 O ATOM 883 CB CYS A 65 4.376 -0.336 5.674 1.00 33.50 C ATOM 884 SG CYS A 65 3.835 1.366 5.393 1.00 61.10 S ATOM 0 H CYS A 65 2.641 -1.258 7.162 1.00 44.10 H new ATOM 0 HA CYS A 65 2.792 -0.989 4.376 1.00 15.00 H new ATOM 0 HB2 CYS A 65 4.562 -0.476 6.739 1.00 33.50 H new ATOM 0 HB3 CYS A 65 5.325 -0.494 5.161 1.00 33.50 H new ATOM 0 HG CYS A 65 2.911 1.382 4.478 1.00 61.10 H new ATOM 890 N THR A 66 4.358 -3.573 5.616 1.00 12.50 N ATOM 891 CA THR A 66 5.061 -4.804 5.272 1.00 72.40 C ATOM 892 C THR A 66 4.099 -5.838 4.698 1.00 72.10 C ATOM 893 O THR A 66 4.476 -6.650 3.852 1.00 10.40 O ATOM 894 CB THR A 66 5.765 -5.374 6.505 1.00 72.20 C ATOM 895 OG1 THR A 66 6.509 -6.531 6.166 1.00 45.40 O ATOM 896 CG2 THR A 66 4.811 -5.751 7.618 1.00 63.40 C ATOM 0 H THR A 66 4.074 -3.508 6.593 1.00 12.50 H new ATOM 0 HA THR A 66 5.806 -4.568 4.513 1.00 72.40 H new ATOM 0 HB THR A 66 6.416 -4.576 6.862 1.00 72.20 H new ATOM 0 HG1 THR A 66 6.953 -6.880 6.967 1.00 45.40 H new ATOM 0 HG21 THR A 66 5.375 -6.148 8.462 1.00 63.40 H new ATOM 0 HG22 THR A 66 4.256 -4.868 7.936 1.00 63.40 H new ATOM 0 HG23 THR A 66 4.114 -6.508 7.259 1.00 63.40 H new ATOM 904 N GLU A 67 2.854 -5.803 5.162 1.00 44.10 N ATOM 905 CA GLU A 67 1.837 -6.737 4.693 1.00 52.30 C ATOM 906 C GLU A 67 1.445 -6.436 3.250 1.00 70.00 C ATOM 907 O GLU A 67 1.390 -7.335 2.411 1.00 11.00 O ATOM 908 CB GLU A 67 0.602 -6.673 5.594 1.00 52.10 C ATOM 909 CG GLU A 67 -0.495 -7.645 5.192 1.00 12.30 C ATOM 910 CD GLU A 67 -1.316 -8.119 6.376 1.00 65.40 C ATOM 911 OE1 GLU A 67 -0.723 -8.671 7.327 1.00 11.00 O ATOM 912 OE2 GLU A 67 -2.551 -7.937 6.352 1.00 41.30 O ATOM 0 H GLU A 67 2.525 -5.138 5.862 1.00 44.10 H new ATOM 0 HA GLU A 67 2.256 -7.742 4.734 1.00 52.30 H new ATOM 0 HB2 GLU A 67 0.901 -6.880 6.622 1.00 52.10 H new ATOM 0 HB3 GLU A 67 0.202 -5.659 5.577 1.00 52.10 H new ATOM 0 HG2 GLU A 67 -1.153 -7.165 4.467 1.00 12.30 H new ATOM 0 HG3 GLU A 67 -0.048 -8.507 4.696 1.00 12.30 H new ATOM 919 N TYR A 68 1.174 -5.166 2.969 1.00 34.40 N ATOM 920 CA TYR A 68 0.787 -4.747 1.627 1.00 74.10 C ATOM 921 C TYR A 68 1.960 -4.868 0.660 1.00 70.30 C ATOM 922 O TYR A 68 1.801 -5.332 -0.469 1.00 2.21 O ATOM 923 CB TYR A 68 0.275 -3.306 1.648 1.00 21.40 C ATOM 924 CG TYR A 68 -0.922 -3.100 2.550 1.00 74.50 C ATOM 925 CD1 TYR A 68 -2.012 -3.959 2.495 1.00 32.40 C ATOM 926 CD2 TYR A 68 -0.960 -2.048 3.456 1.00 14.10 C ATOM 927 CE1 TYR A 68 -3.108 -3.775 3.318 1.00 61.40 C ATOM 928 CE2 TYR A 68 -2.051 -1.857 4.282 1.00 62.10 C ATOM 929 CZ TYR A 68 -3.122 -2.723 4.209 1.00 30.20 C ATOM 930 OH TYR A 68 -4.211 -2.536 5.030 1.00 4.22 O ATOM 0 H TYR A 68 1.215 -4.410 3.652 1.00 34.40 H new ATOM 0 HA TYR A 68 -0.012 -5.404 1.284 1.00 74.10 H new ATOM 0 HB2 TYR A 68 1.081 -2.648 1.972 1.00 21.40 H new ATOM 0 HB3 TYR A 68 0.010 -3.009 0.633 1.00 21.40 H new ATOM 0 HD1 TYR A 68 -2.004 -4.784 1.798 1.00 32.40 H new ATOM 0 HD2 TYR A 68 -0.123 -1.368 3.516 1.00 14.10 H new ATOM 0 HE1 TYR A 68 -3.948 -4.451 3.263 1.00 61.40 H new ATOM 0 HE2 TYR A 68 -2.065 -1.034 4.981 1.00 62.10 H new ATOM 0 HH TYR A 68 -4.061 -1.752 5.598 1.00 4.22 H new ATOM 940 N LEU A 69 3.137 -4.447 1.110 1.00 54.40 N ATOM 941 CA LEU A 69 4.337 -4.508 0.284 1.00 12.40 C ATOM 942 C LEU A 69 4.649 -5.946 -0.118 1.00 23.10 C ATOM 943 O LEU A 69 5.184 -6.198 -1.197 1.00 13.20 O ATOM 944 CB LEU A 69 5.528 -3.906 1.032 1.00 4.11 C ATOM 945 CG LEU A 69 5.675 -2.389 0.902 1.00 44.50 C ATOM 946 CD1 LEU A 69 6.748 -1.874 1.848 1.00 32.10 C ATOM 947 CD2 LEU A 69 6.000 -2.008 -0.534 1.00 70.50 C ATOM 0 H LEU A 69 3.286 -4.060 2.042 1.00 54.40 H new ATOM 0 HA LEU A 69 4.154 -3.928 -0.621 1.00 12.40 H new ATOM 0 HB2 LEU A 69 5.439 -4.158 2.089 1.00 4.11 H new ATOM 0 HB3 LEU A 69 6.441 -4.377 0.668 1.00 4.11 H new ATOM 0 HG LEU A 69 4.727 -1.926 1.175 1.00 44.50 H new ATOM 0 HD11 LEU A 69 6.839 -0.793 1.742 1.00 32.10 H new ATOM 0 HD12 LEU A 69 6.474 -2.116 2.875 1.00 32.10 H new ATOM 0 HD13 LEU A 69 7.702 -2.343 1.607 1.00 32.10 H new ATOM 0 HD21 LEU A 69 6.101 -0.925 -0.609 1.00 70.50 H new ATOM 0 HD22 LEU A 69 6.935 -2.482 -0.833 1.00 70.50 H new ATOM 0 HD23 LEU A 69 5.197 -2.344 -1.190 1.00 70.50 H new ATOM 959 N ASP A 70 4.309 -6.886 0.758 1.00 5.34 N ATOM 960 CA ASP A 70 4.552 -8.300 0.495 1.00 73.40 C ATOM 961 C ASP A 70 3.678 -8.798 -0.651 1.00 5.00 C ATOM 962 O ASP A 70 4.168 -9.424 -1.591 1.00 54.20 O ATOM 963 CB ASP A 70 4.284 -9.128 1.753 1.00 20.00 C ATOM 964 CG ASP A 70 4.995 -10.460 1.726 1.00 4.31 C ATOM 965 OD1 ASP A 70 6.196 -10.490 1.384 1.00 13.20 O ATOM 966 OD2 ASP A 70 4.352 -11.480 2.048 1.00 30.00 O ATOM 0 H ASP A 70 3.865 -6.694 1.656 1.00 5.34 H new ATOM 0 HA ASP A 70 5.597 -8.416 0.208 1.00 73.40 H new ATOM 0 HB2 ASP A 70 4.604 -8.566 2.630 1.00 20.00 H new ATOM 0 HB3 ASP A 70 3.211 -9.293 1.854 1.00 20.00 H new ATOM 971 N ARG A 71 2.382 -8.516 -0.567 1.00 2.42 N ATOM 972 CA ARG A 71 1.440 -8.935 -1.597 1.00 14.00 C ATOM 973 C ARG A 71 1.742 -8.246 -2.924 1.00 35.50 C ATOM 974 O ARG A 71 1.853 -8.898 -3.962 1.00 2.43 O ATOM 975 CB ARG A 71 0.006 -8.625 -1.163 1.00 74.00 C ATOM 976 CG ARG A 71 -0.633 -9.731 -0.340 1.00 1.32 C ATOM 977 CD ARG A 71 -1.484 -10.640 -1.204 1.00 21.50 C ATOM 978 NE ARG A 71 -2.899 -10.280 -1.160 1.00 14.00 N ATOM 979 CZ ARG A 71 -3.714 -10.590 -0.156 1.00 71.40 C ATOM 980 NH1 ARG A 71 -3.260 -11.280 0.888 1.00 14.10 N ATOM 981 NH2 ARG A 71 -4.986 -10.220 -0.195 1.00 22.00 N ATOM 0 H ARG A 71 1.960 -7.999 0.204 1.00 2.42 H new ATOM 0 HA ARG A 71 1.546 -10.011 -1.735 1.00 14.00 H new ATOM 0 HB2 ARG A 71 0.002 -7.703 -0.582 1.00 74.00 H new ATOM 0 HB3 ARG A 71 -0.602 -8.445 -2.049 1.00 74.00 H new ATOM 0 HG2 ARG A 71 0.144 -10.316 0.152 1.00 1.32 H new ATOM 0 HG3 ARG A 71 -1.248 -9.293 0.446 1.00 1.32 H new ATOM 0 HD2 ARG A 71 -1.131 -10.593 -2.234 1.00 21.50 H new ATOM 0 HD3 ARG A 71 -1.363 -11.671 -0.872 1.00 21.50 H new ATOM 0 HE ARG A 71 -3.285 -9.759 -1.947 1.00 14.00 H new ATOM 0 HH11 ARG A 71 -2.284 -11.573 0.920 1.00 14.10 H new ATOM 0 HH12 ARG A 71 -3.889 -11.516 1.656 1.00 14.10 H new ATOM 0 HH21 ARG A 71 -5.341 -9.697 -0.996 1.00 22.00 H new ATOM 0 HH22 ARG A 71 -5.610 -10.458 0.576 1.00 22.00 H new ATOM 995 N ALA A 72 1.874 -6.924 -2.882 1.00 62.40 N ATOM 996 CA ALA A 72 2.163 -6.147 -4.081 1.00 61.40 C ATOM 997 C ALA A 72 3.483 -6.579 -4.710 1.00 10.50 C ATOM 998 O ALA A 72 3.612 -6.633 -5.933 1.00 3.10 O ATOM 999 CB ALA A 72 2.194 -4.662 -3.752 1.00 23.00 C ATOM 0 H ALA A 72 1.785 -6.369 -2.031 1.00 62.40 H new ATOM 0 HA ALA A 72 1.369 -6.331 -4.804 1.00 61.40 H new ATOM 0 HB1 ALA A 72 2.411 -4.093 -4.656 1.00 23.00 H new ATOM 0 HB2 ALA A 72 1.226 -4.357 -3.355 1.00 23.00 H new ATOM 0 HB3 ALA A 72 2.968 -4.470 -3.009 1.00 23.00 H new ATOM 1005 N GLU A 73 4.463 -6.885 -3.865 1.00 11.40 N ATOM 1006 CA GLU A 73 5.774 -7.313 -4.339 1.00 35.10 C ATOM 1007 C GLU A 73 5.665 -8.591 -5.164 1.00 64.50 C ATOM 1008 O GLU A 73 6.216 -8.682 -6.261 1.00 60.40 O ATOM 1009 CB GLU A 73 6.719 -7.535 -3.156 1.00 55.30 C ATOM 1010 CG GLU A 73 7.463 -6.280 -2.728 1.00 62.40 C ATOM 1011 CD GLU A 73 8.899 -6.260 -3.213 1.00 44.20 C ATOM 1012 OE1 GLU A 73 9.113 -6.381 -4.438 1.00 21.10 O ATOM 1013 OE2 GLU A 73 9.809 -6.122 -2.369 1.00 4.42 O ATOM 0 H GLU A 73 4.374 -6.844 -2.850 1.00 11.40 H new ATOM 0 HA GLU A 73 6.177 -6.525 -4.975 1.00 35.10 H new ATOM 0 HB2 GLU A 73 6.146 -7.914 -2.310 1.00 55.30 H new ATOM 0 HB3 GLU A 73 7.444 -8.305 -3.420 1.00 55.30 H new ATOM 0 HG2 GLU A 73 6.941 -5.404 -3.113 1.00 62.40 H new ATOM 0 HG3 GLU A 73 7.450 -6.207 -1.641 1.00 62.40 H new ATOM 1020 N LYS A 74 4.951 -9.575 -4.629 1.00 52.50 N ATOM 1021 CA LYS A 74 4.769 -10.840 -5.316 1.00 4.53 C ATOM 1022 C LYS A 74 3.823 -10.690 -6.502 1.00 65.20 C ATOM 1023 O LYS A 74 3.991 -11.350 -7.532 1.00 52.20 O ATOM 1024 CB LYS A 74 4.227 -11.900 -4.348 1.00 54.40 C ATOM 1025 CG LYS A 74 4.715 -13.310 -4.646 1.00 65.30 C ATOM 1026 CD LYS A 74 3.650 -14.340 -4.328 1.00 42.10 C ATOM 1027 CE LYS A 74 2.892 -14.760 -5.577 1.00 42.30 C ATOM 1028 NZ LYS A 74 3.637 -15.790 -6.362 1.00 61.20 N ATOM 0 H LYS A 74 4.490 -9.517 -3.721 1.00 52.50 H new ATOM 0 HA LYS A 74 5.741 -11.160 -5.690 1.00 4.53 H new ATOM 0 HB2 LYS A 74 4.516 -11.633 -3.332 1.00 54.40 H new ATOM 0 HB3 LYS A 74 3.138 -11.888 -4.383 1.00 54.40 H new ATOM 0 HG2 LYS A 74 4.995 -13.386 -5.697 1.00 65.30 H new ATOM 0 HG3 LYS A 74 5.611 -13.518 -4.062 1.00 65.30 H new ATOM 0 HD2 LYS A 74 4.113 -15.214 -3.871 1.00 42.10 H new ATOM 0 HD3 LYS A 74 2.952 -13.930 -3.598 1.00 42.10 H new ATOM 0 HE2 LYS A 74 1.916 -15.155 -5.294 1.00 42.30 H new ATOM 0 HE3 LYS A 74 2.712 -13.886 -6.203 1.00 42.30 H new ATOM 0 HZ1 LYS A 74 3.086 -16.049 -7.205 1.00 61.20 H new ATOM 0 HZ2 LYS A 74 4.558 -15.405 -6.655 1.00 61.20 H new ATOM 0 HZ3 LYS A 74 3.786 -16.634 -5.773 1.00 61.20 H new ATOM 1042 N LEU A 75 2.827 -9.829 -6.351 1.00 44.50 N ATOM 1043 CA LEU A 75 1.853 -9.590 -7.410 1.00 21.20 C ATOM 1044 C LEU A 75 2.542 -9.110 -8.684 1.00 23.40 C ATOM 1045 O LEU A 75 2.334 -9.666 -9.763 1.00 4.35 O ATOM 1046 CB LEU A 75 0.813 -8.563 -6.954 1.00 54.40 C ATOM 1047 CG LEU A 75 -0.609 -9.106 -6.801 1.00 23.00 C ATOM 1048 CD1 LEU A 75 -0.817 -9.671 -5.405 1.00 2.41 C ATOM 1049 CD2 LEU A 75 -1.628 -8.015 -7.094 1.00 44.40 C ATOM 0 H LEU A 75 2.671 -9.282 -5.504 1.00 44.50 H new ATOM 0 HA LEU A 75 1.349 -10.532 -7.627 1.00 21.20 H new ATOM 0 HB2 LEU A 75 1.131 -8.146 -5.999 1.00 54.40 H new ATOM 0 HB3 LEU A 75 0.797 -7.742 -7.671 1.00 54.40 H new ATOM 0 HG LEU A 75 -0.750 -9.912 -7.521 1.00 23.00 H new ATOM 0 HD11 LEU A 75 -1.834 -10.053 -5.315 1.00 2.41 H new ATOM 0 HD12 LEU A 75 -0.109 -10.481 -5.231 1.00 2.41 H new ATOM 0 HD13 LEU A 75 -0.658 -8.885 -4.667 1.00 2.41 H new ATOM 0 HD21 LEU A 75 -2.635 -8.417 -6.981 1.00 44.40 H new ATOM 0 HD22 LEU A 75 -1.487 -7.189 -6.397 1.00 44.40 H new ATOM 0 HD23 LEU A 75 -1.493 -7.656 -8.114 1.00 44.40 H new ATOM 1061 N LYS A 76 3.364 -8.076 -8.551 1.00 54.10 N ATOM 1062 CA LYS A 76 4.087 -7.522 -9.690 1.00 52.20 C ATOM 1063 C LYS A 76 5.127 -8.511 -10.200 1.00 75.40 C ATOM 1064 O LYS A 76 5.474 -8.501 -11.380 1.00 52.00 O ATOM 1065 CB LYS A 76 4.766 -6.208 -9.301 1.00 72.00 C ATOM 1066 CG LYS A 76 5.773 -6.354 -8.172 1.00 60.50 C ATOM 1067 CD LYS A 76 6.172 -5.003 -7.603 1.00 54.40 C ATOM 1068 CE LYS A 76 7.486 -4.517 -8.191 1.00 31.20 C ATOM 1069 NZ LYS A 76 8.647 -4.876 -7.331 1.00 21.50 N ATOM 0 H LYS A 76 3.547 -7.604 -7.666 1.00 54.10 H new ATOM 0 HA LYS A 76 3.369 -7.329 -10.487 1.00 52.20 H new ATOM 0 HB2 LYS A 76 5.270 -5.797 -10.175 1.00 72.00 H new ATOM 0 HB3 LYS A 76 4.003 -5.488 -9.005 1.00 72.00 H new ATOM 0 HG2 LYS A 76 5.347 -6.972 -7.381 1.00 60.50 H new ATOM 0 HG3 LYS A 76 6.659 -6.872 -8.538 1.00 60.50 H new ATOM 0 HD2 LYS A 76 5.388 -4.274 -7.810 1.00 54.40 H new ATOM 0 HD3 LYS A 76 6.262 -5.076 -6.519 1.00 54.40 H new ATOM 0 HE2 LYS A 76 7.622 -4.949 -9.182 1.00 31.20 H new ATOM 0 HE3 LYS A 76 7.449 -3.435 -8.317 1.00 31.20 H new ATOM 0 HZ1 LYS A 76 9.524 -4.526 -7.768 1.00 21.50 H new ATOM 0 HZ2 LYS A 76 8.531 -4.443 -6.393 1.00 21.50 H new ATOM 0 HZ3 LYS A 76 8.698 -5.910 -7.231 1.00 21.50 H new ATOM 1083 N GLU A 77 5.622 -9.364 -9.314 1.00 61.10 N ATOM 1084 CA GLU A 77 6.625 -10.360 -9.677 1.00 50.10 C ATOM 1085 C GLU A 77 6.154 -11.210 -10.840 1.00 20.40 C ATOM 1086 O GLU A 77 6.822 -11.290 -11.880 1.00 13.40 O ATOM 1087 CB GLU A 77 6.942 -11.250 -8.476 1.00 10.20 C ATOM 1088 CG GLU A 77 8.391 -11.700 -8.423 1.00 61.20 C ATOM 1089 CD GLU A 77 9.215 -10.910 -7.425 1.00 43.10 C ATOM 1090 OE1 GLU A 77 8.922 -11.000 -6.214 1.00 20.20 O ATOM 1091 OE2 GLU A 77 10.154 -10.210 -7.855 1.00 55.30 O ATOM 0 H GLU A 77 5.344 -9.387 -8.333 1.00 61.10 H new ATOM 0 HA GLU A 77 7.529 -9.833 -9.983 1.00 50.10 H new ATOM 0 HB2 GLU A 77 6.704 -10.709 -7.560 1.00 10.20 H new ATOM 0 HB3 GLU A 77 6.298 -12.129 -8.504 1.00 10.20 H new ATOM 0 HG2 GLU A 77 8.429 -12.758 -8.162 1.00 61.20 H new ATOM 0 HG3 GLU A 77 8.834 -11.600 -9.414 1.00 61.20 H new ATOM 1098 N TYR A 78 5.004 -11.860 -10.680 1.00 31.20 N ATOM 1099 CA TYR A 78 4.453 -12.710 -11.730 1.00 4.35 C ATOM 1100 C TYR A 78 4.027 -11.880 -12.940 1.00 61.10 C ATOM 1101 O TYR A 78 4.167 -12.310 -14.080 1.00 41.20 O ATOM 1102 CB TYR A 78 3.268 -13.520 -11.190 1.00 33.40 C ATOM 1103 CG TYR A 78 1.969 -12.750 -11.100 1.00 20.00 C ATOM 1104 CD1 TYR A 78 1.207 -12.500 -12.240 1.00 71.20 C ATOM 1105 CD2 TYR A 78 1.506 -12.270 -9.887 1.00 33.30 C ATOM 1106 CE1 TYR A 78 0.021 -11.790 -12.160 1.00 44.50 C ATOM 1107 CE2 TYR A 78 0.320 -11.560 -9.801 1.00 63.30 C ATOM 1108 CZ TYR A 78 -0.418 -11.330 -10.940 1.00 41.20 C ATOM 1109 OH TYR A 78 -1.599 -10.630 -10.860 1.00 14.50 O ATOM 0 H TYR A 78 4.437 -11.814 -9.834 1.00 31.20 H new ATOM 0 HA TYR A 78 5.232 -13.401 -12.053 1.00 4.35 H new ATOM 0 HB2 TYR A 78 3.117 -14.389 -11.830 1.00 33.40 H new ATOM 0 HB3 TYR A 78 3.523 -13.895 -10.199 1.00 33.40 H new ATOM 0 HD1 TYR A 78 1.546 -12.865 -13.198 1.00 71.20 H new ATOM 0 HD2 TYR A 78 2.080 -12.453 -8.991 1.00 33.30 H new ATOM 0 HE1 TYR A 78 -0.557 -11.598 -13.052 1.00 44.50 H new ATOM 0 HE2 TYR A 78 -0.024 -11.189 -8.847 1.00 63.30 H new ATOM 0 HH TYR A 78 -2.212 -11.091 -10.250 1.00 14.50 H new ATOM 1119 N LEU A 79 3.507 -10.680 -12.680 1.00 73.30 N ATOM 1120 CA LEU A 79 3.061 -9.797 -13.740 1.00 53.10 C ATOM 1121 C LEU A 79 4.227 -9.393 -14.640 1.00 11.50 C ATOM 1122 O LEU A 79 4.057 -9.186 -15.840 1.00 11.20 O ATOM 1123 CB LEU A 79 2.403 -8.550 -13.150 1.00 63.10 C ATOM 1124 CG LEU A 79 1.011 -8.772 -12.550 1.00 2.42 C ATOM 1125 CD1 LEU A 79 0.523 -7.516 -11.850 1.00 71.10 C ATOM 1126 CD2 LEU A 79 0.031 -9.192 -13.640 1.00 53.30 C ATOM 0 H LEU A 79 3.387 -10.303 -11.740 1.00 73.30 H new ATOM 0 HA LEU A 79 2.330 -10.335 -14.343 1.00 53.10 H new ATOM 0 HB2 LEU A 79 3.055 -8.146 -12.376 1.00 63.10 H new ATOM 0 HB3 LEU A 79 2.329 -7.793 -13.931 1.00 63.10 H new ATOM 0 HG LEU A 79 1.075 -9.570 -11.810 1.00 2.42 H new ATOM 0 HD11 LEU A 79 -0.467 -7.694 -11.431 1.00 71.10 H new ATOM 0 HD12 LEU A 79 1.214 -7.254 -11.049 1.00 71.10 H new ATOM 0 HD13 LEU A 79 0.471 -6.697 -12.567 1.00 71.10 H new ATOM 0 HD21 LEU A 79 -0.955 -9.347 -13.202 1.00 53.30 H new ATOM 0 HD22 LEU A 79 -0.027 -8.411 -14.398 1.00 53.30 H new ATOM 0 HD23 LEU A 79 0.374 -10.119 -14.100 1.00 53.30 H new ATOM 1138 N LYS A 80 5.412 -9.283 -14.040 1.00 65.20 N ATOM 1139 CA LYS A 80 6.606 -8.904 -14.790 1.00 25.50 C ATOM 1140 C LYS A 80 7.267 -10.120 -15.420 1.00 52.20 C ATOM 1141 O LYS A 80 7.876 -10.030 -16.480 1.00 53.00 O ATOM 1142 CB LYS A 80 7.598 -8.187 -13.870 1.00 42.30 C ATOM 1143 CG LYS A 80 7.453 -6.674 -13.880 1.00 13.00 C ATOM 1144 CD LYS A 80 8.224 -6.032 -12.740 1.00 0.22 C ATOM 1145 CE LYS A 80 9.623 -5.624 -13.170 1.00 41.20 C ATOM 1146 NZ LYS A 80 10.328 -4.847 -12.120 1.00 75.40 N ATOM 0 H LYS A 80 5.569 -9.449 -13.046 1.00 65.20 H new ATOM 0 HA LYS A 80 6.303 -8.229 -15.590 1.00 25.50 H new ATOM 0 HB2 LYS A 80 7.463 -8.550 -12.851 1.00 42.30 H new ATOM 0 HB3 LYS A 80 8.613 -8.448 -14.170 1.00 42.30 H new ATOM 0 HG2 LYS A 80 7.812 -6.280 -14.831 1.00 13.00 H new ATOM 0 HG3 LYS A 80 6.399 -6.408 -13.802 1.00 13.00 H new ATOM 0 HD2 LYS A 80 7.683 -5.156 -12.382 1.00 0.22 H new ATOM 0 HD3 LYS A 80 8.288 -6.730 -11.905 1.00 0.22 H new ATOM 0 HE2 LYS A 80 10.202 -6.516 -13.410 1.00 41.20 H new ATOM 0 HE3 LYS A 80 9.562 -5.029 -14.081 1.00 41.20 H new ATOM 0 HZ1 LYS A 80 11.278 -4.590 -12.457 1.00 75.40 H new ATOM 0 HZ2 LYS A 80 9.790 -3.982 -11.908 1.00 75.40 H new ATOM 0 HZ3 LYS A 80 10.410 -5.423 -11.258 1.00 75.40 H new ATOM 1160 N ASN A 81 7.143 -11.260 -14.750 1.00 2.23 N ATOM 1161 CA ASN A 81 7.728 -12.510 -15.240 1.00 41.40 C ATOM 1162 C ASN A 81 6.920 -13.060 -16.410 1.00 74.50 C ATOM 1163 O ASN A 81 7.467 -13.710 -17.300 1.00 23.20 O ATOM 1164 CB ASN A 81 7.802 -13.540 -14.110 1.00 71.30 C ATOM 1165 CG ASN A 81 9.040 -13.370 -13.250 1.00 71.20 C ATOM 1166 OD1 ASN A 81 10.182 -13.810 -13.770 1.00 74.20 O flip ATOM 1167 ND2 ASN A 81 8.970 -12.850 -12.140 1.00 41.50 N flip ATOM 0 H ASN A 81 6.643 -11.348 -13.865 1.00 2.23 H new ATOM 0 HA ASN A 81 8.739 -12.303 -15.590 1.00 41.40 H new ATOM 0 HB2 ASN A 81 6.914 -13.453 -13.484 1.00 71.30 H new ATOM 0 HB3 ASN A 81 7.794 -14.543 -14.536 1.00 71.30 H new ATOM 0 HD21 ASN A 81 8.070 -12.528 -11.784 1.00 41.50 H new ATOM 0 HD22 ASN A 81 9.812 -12.740 -11.574 1.00 41.50 H new TER 1174 ASN A 81