USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 561 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 55 TYR OH : rot 26:sc= 1.14 USER MOD Set 1.2: A 59 HIS : no HD1:sc= -0.979 K(o=0.16,f=-1.2!) USER MOD Set 2.1: A 29 SER OG : rot 35:sc= -0.635 USER MOD Set 2.2: A 70 ASN : amide:sc= -10.3! C(o=-11!,f=-13!) USER MOD Set 3.1: A 24 GLN : amide:sc= -3.9! C(o=-3.1!,f=-4.1!) USER MOD Set 3.2: A 28 TYR OH : rot 180:sc= 0.814 USER MOD Single : A 1 ASN : amide:sc= -0.177 X(o=-0.18,f=-0.18) USER MOD Single : A 1 ASN N :NH3+ 178:sc= -0.666 (180deg=-0.678) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 LYS NZ :NH3+ 160:sc= -0.0596 (180deg=-0.531) USER MOD Single : A 5 GLN : amide:sc= -0.597 K(o=-0.6,f=-7!) USER MOD Single : A 6 LYS NZ :NH3+ -109:sc= 0.218 (180deg=-1.38) USER MOD Single : A 10 ASN : amide:sc= -2.19 K(o=-2.2,f=-11!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -141:sc= -1.35 (180deg=-2.74) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot -37:sc= 0.0228 USER MOD Single : A 32 LYS NZ :NH3+ -133:sc= -0.964! (180deg=-1.29!) USER MOD Single : A 33 ASN : amide:sc= -2.53 X(o=-2.5,f=-3!) USER MOD Single : A 37 SER OG : rot 84:sc= 1.19 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= -2.68 K(o=-2.7,f=-4.5!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.0324 USER MOD Single : A 51 GLN :FLIP amide:sc= -4.7! C(o=-5.6!,f=-4.7!) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -131:sc= -0.0447 (180deg=-0.34) USER MOD Single : A 62 ASN : amide:sc= 0 X(o=0,f=-0.035) USER MOD Single : A 66 ASN : amide:sc= 0.109 K(o=0.11,f=-1.4!) USER MOD Single : A 68 LYS NZ :NH3+ 159:sc= -0.0751 (180deg=-0.684!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 21.117 1.608 -7.946 1.00 0.00 N ATOM 2 CA ASN A 1 20.002 2.160 -8.769 1.00 0.00 C ATOM 3 C ASN A 1 18.889 2.665 -7.849 1.00 0.00 C ATOM 4 O ASN A 1 17.725 2.721 -8.245 1.00 0.00 O ATOM 5 CB ASN A 1 19.453 1.061 -9.687 1.00 0.00 C ATOM 6 CG ASN A 1 20.596 0.322 -10.377 1.00 0.00 C ATOM 7 OD1 ASN A 1 20.764 -0.882 -10.182 1.00 0.00 O ATOM 8 ND2 ASN A 1 21.394 0.971 -11.181 1.00 0.00 N ATOM 0 H1 ASN A 1 21.858 1.234 -8.572 1.00 0.00 H new ATOM 0 H2 ASN A 1 21.515 2.362 -7.350 1.00 0.00 H new ATOM 0 H3 ASN A 1 20.756 0.843 -7.341 1.00 0.00 H new ATOM 0 HA ASN A 1 20.372 2.987 -9.375 1.00 0.00 H new ATOM 0 HB2 ASN A 1 18.856 0.358 -9.106 1.00 0.00 H new ATOM 0 HB3 ASN A 1 18.792 1.500 -10.434 1.00 0.00 H new ATOM 0 HD21 ASN A 1 22.157 0.481 -11.648 1.00 0.00 H new ATOM 0 HD22 ASN A 1 21.255 1.968 -11.342 1.00 0.00 H new ATOM 17 N LEU A 2 19.252 3.027 -6.620 1.00 0.00 N ATOM 18 CA LEU A 2 18.269 3.518 -5.657 1.00 0.00 C ATOM 19 C LEU A 2 18.492 5.001 -5.359 1.00 0.00 C ATOM 20 O LEU A 2 19.614 5.430 -5.094 1.00 0.00 O ATOM 21 CB LEU A 2 18.367 2.718 -4.357 1.00 0.00 C ATOM 22 CG LEU A 2 17.378 1.546 -4.390 1.00 0.00 C ATOM 23 CD1 LEU A 2 15.947 2.072 -4.232 1.00 0.00 C ATOM 24 CD2 LEU A 2 17.507 0.798 -5.723 1.00 0.00 C ATOM 0 H LEU A 2 20.209 2.990 -6.270 1.00 0.00 H new ATOM 0 HA LEU A 2 17.277 3.393 -6.091 1.00 0.00 H new ATOM 0 HB2 LEU A 2 19.383 2.345 -4.225 1.00 0.00 H new ATOM 0 HB3 LEU A 2 18.151 3.363 -3.505 1.00 0.00 H new ATOM 0 HG LEU A 2 17.603 0.864 -3.570 1.00 0.00 H new ATOM 0 HD11 LEU A 2 15.247 1.236 -4.256 1.00 0.00 H new ATOM 0 HD12 LEU A 2 15.855 2.595 -3.280 1.00 0.00 H new ATOM 0 HD13 LEU A 2 15.720 2.759 -5.047 1.00 0.00 H new ATOM 0 HD21 LEU A 2 16.803 -0.034 -5.743 1.00 0.00 H new ATOM 0 HD22 LEU A 2 17.287 1.479 -6.545 1.00 0.00 H new ATOM 0 HD23 LEU A 2 18.523 0.417 -5.829 1.00 0.00 H new ATOM 36 N THR A 3 17.409 5.773 -5.398 1.00 0.00 N ATOM 37 CA THR A 3 17.489 7.206 -5.125 1.00 0.00 C ATOM 38 C THR A 3 16.404 7.621 -4.132 1.00 0.00 C ATOM 39 O THR A 3 15.418 6.909 -3.947 1.00 0.00 O ATOM 40 CB THR A 3 17.324 7.997 -6.426 1.00 0.00 C ATOM 41 OG1 THR A 3 16.039 7.735 -6.975 1.00 0.00 O ATOM 42 CG2 THR A 3 18.402 7.573 -7.423 1.00 0.00 C ATOM 0 H THR A 3 16.472 5.434 -5.614 1.00 0.00 H new ATOM 0 HA THR A 3 18.466 7.422 -4.692 1.00 0.00 H new ATOM 0 HB THR A 3 17.423 9.063 -6.220 1.00 0.00 H new ATOM 0 HG1 THR A 3 15.929 8.241 -7.807 1.00 0.00 H new ATOM 0 HG21 THR A 3 18.284 8.137 -8.348 1.00 0.00 H new ATOM 0 HG22 THR A 3 19.387 7.772 -7.000 1.00 0.00 H new ATOM 0 HG23 THR A 3 18.305 6.508 -7.632 1.00 0.00 H new ATOM 50 N LYS A 4 16.591 8.778 -3.498 1.00 0.00 N ATOM 51 CA LYS A 4 15.614 9.269 -2.530 1.00 0.00 C ATOM 52 C LYS A 4 15.071 10.629 -2.963 1.00 0.00 C ATOM 53 O LYS A 4 15.828 11.502 -3.384 1.00 0.00 O ATOM 54 CB LYS A 4 16.269 9.397 -1.154 1.00 0.00 C ATOM 55 CG LYS A 4 16.712 8.015 -0.667 1.00 0.00 C ATOM 56 CD LYS A 4 17.359 8.143 0.714 1.00 0.00 C ATOM 57 CE LYS A 4 17.786 6.760 1.209 1.00 0.00 C ATOM 58 NZ LYS A 4 18.821 6.202 0.293 1.00 0.00 N ATOM 0 H LYS A 4 17.399 9.385 -3.635 1.00 0.00 H new ATOM 0 HA LYS A 4 14.789 8.559 -2.478 1.00 0.00 H new ATOM 0 HB2 LYS A 4 17.127 10.067 -1.209 1.00 0.00 H new ATOM 0 HB3 LYS A 4 15.567 9.836 -0.445 1.00 0.00 H new ATOM 0 HG2 LYS A 4 15.855 7.343 -0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 4 17.419 7.579 -1.372 1.00 0.00 H new ATOM 0 HD2 LYS A 4 18.223 8.805 0.662 1.00 0.00 H new ATOM 0 HD3 LYS A 4 16.656 8.591 1.416 1.00 0.00 H new ATOM 0 HE2 LYS A 4 18.182 6.831 2.222 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.924 6.094 1.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 19.349 5.452 0.782 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 18.360 5.807 -0.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 19.477 6.958 0.008 1.00 0.00 H new ATOM 72 N GLN A 5 13.754 10.802 -2.858 1.00 0.00 N ATOM 73 CA GLN A 5 13.129 12.062 -3.246 1.00 0.00 C ATOM 74 C GLN A 5 12.789 12.923 -2.024 1.00 0.00 C ATOM 75 O GLN A 5 12.288 14.039 -2.169 1.00 0.00 O ATOM 76 CB GLN A 5 11.851 11.791 -4.046 1.00 0.00 C ATOM 77 CG GLN A 5 12.190 10.991 -5.307 1.00 0.00 C ATOM 78 CD GLN A 5 12.007 9.499 -5.051 1.00 0.00 C ATOM 79 OE1 GLN A 5 12.110 9.042 -3.914 1.00 0.00 O ATOM 80 NE2 GLN A 5 11.736 8.703 -6.051 1.00 0.00 N ATOM 0 H GLN A 5 13.107 10.094 -2.512 1.00 0.00 H new ATOM 0 HA GLN A 5 13.844 12.607 -3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.138 11.238 -3.434 1.00 0.00 H new ATOM 0 HB3 GLN A 5 11.375 12.733 -4.318 1.00 0.00 H new ATOM 0 HG2 GLN A 5 11.549 11.307 -6.130 1.00 0.00 H new ATOM 0 HG3 GLN A 5 13.218 11.192 -5.608 1.00 0.00 H new ATOM 0 HE21 GLN A 5 11.650 9.081 -6.995 1.00 0.00 H new ATOM 0 HE22 GLN A 5 11.610 7.704 -5.888 1.00 0.00 H new ATOM 89 N LYS A 6 13.058 12.409 -0.824 1.00 0.00 N ATOM 90 CA LYS A 6 12.763 13.161 0.394 1.00 0.00 C ATOM 91 C LYS A 6 13.967 13.168 1.329 1.00 0.00 C ATOM 92 O LYS A 6 14.478 12.113 1.704 1.00 0.00 O ATOM 93 CB LYS A 6 11.562 12.539 1.111 1.00 0.00 C ATOM 94 CG LYS A 6 11.230 13.350 2.365 1.00 0.00 C ATOM 95 CD LYS A 6 10.003 12.744 3.051 1.00 0.00 C ATOM 96 CE LYS A 6 9.647 13.564 4.293 1.00 0.00 C ATOM 97 NZ LYS A 6 10.763 13.488 5.275 1.00 0.00 N ATOM 0 H LYS A 6 13.473 11.490 -0.670 1.00 0.00 H new ATOM 0 HA LYS A 6 12.531 14.189 0.115 1.00 0.00 H new ATOM 0 HB2 LYS A 6 10.701 12.515 0.443 1.00 0.00 H new ATOM 0 HB3 LYS A 6 11.783 11.507 1.382 1.00 0.00 H new ATOM 0 HG2 LYS A 6 12.080 13.349 3.048 1.00 0.00 H new ATOM 0 HG3 LYS A 6 11.036 14.389 2.099 1.00 0.00 H new ATOM 0 HD2 LYS A 6 9.160 12.728 2.361 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.205 11.710 3.332 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.462 14.602 4.016 1.00 0.00 H new ATOM 0 HE3 LYS A 6 8.728 13.185 4.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 10.471 12.908 6.088 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.595 13.057 4.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 11.004 14.446 5.602 1.00 0.00 H new ATOM 111 N GLU A 7 14.413 14.362 1.708 1.00 0.00 N ATOM 112 CA GLU A 7 15.553 14.483 2.605 1.00 0.00 C ATOM 113 C GLU A 7 15.087 14.585 4.054 1.00 0.00 C ATOM 114 O GLU A 7 15.694 13.998 4.950 1.00 0.00 O ATOM 115 CB GLU A 7 16.372 15.723 2.242 1.00 0.00 C ATOM 116 CG GLU A 7 16.859 15.604 0.797 1.00 0.00 C ATOM 117 CD GLU A 7 17.837 14.442 0.670 1.00 0.00 C ATOM 118 OE1 GLU A 7 18.380 14.036 1.684 1.00 0.00 O ATOM 119 OE2 GLU A 7 18.028 13.973 -0.440 1.00 0.00 O ATOM 0 H GLU A 7 14.007 15.249 1.411 1.00 0.00 H new ATOM 0 HA GLU A 7 16.173 13.593 2.497 1.00 0.00 H new ATOM 0 HB2 GLU A 7 15.765 16.621 2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 7 17.222 15.822 2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 7 16.011 15.450 0.130 1.00 0.00 H new ATOM 0 HG3 GLU A 7 17.342 16.532 0.490 1.00 0.00 H new ATOM 126 N ALA A 8 14.000 15.332 4.269 1.00 0.00 N ATOM 127 CA ALA A 8 13.447 15.513 5.612 1.00 0.00 C ATOM 128 C ALA A 8 12.343 16.570 5.602 1.00 0.00 C ATOM 129 O ALA A 8 11.155 16.249 5.657 1.00 0.00 O ATOM 130 CB ALA A 8 14.547 15.951 6.582 1.00 0.00 C ATOM 0 H ALA A 8 13.488 15.819 3.533 1.00 0.00 H new ATOM 0 HA ALA A 8 13.029 14.560 5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 8 14.123 16.082 7.578 1.00 0.00 H new ATOM 0 HB2 ALA A 8 15.326 15.189 6.617 1.00 0.00 H new ATOM 0 HB3 ALA A 8 14.977 16.894 6.243 1.00 0.00 H new ATOM 136 N VAL A 9 12.753 17.832 5.540 1.00 0.00 N ATOM 137 CA VAL A 9 11.812 18.949 5.531 1.00 0.00 C ATOM 138 C VAL A 9 10.904 18.907 4.302 1.00 0.00 C ATOM 139 O VAL A 9 9.705 19.170 4.400 1.00 0.00 O ATOM 140 CB VAL A 9 12.575 20.275 5.554 1.00 0.00 C ATOM 141 CG1 VAL A 9 11.599 21.431 5.316 1.00 0.00 C ATOM 142 CG2 VAL A 9 13.249 20.452 6.920 1.00 0.00 C ATOM 0 H VAL A 9 13.734 18.109 5.495 1.00 0.00 H new ATOM 0 HA VAL A 9 11.188 18.864 6.421 1.00 0.00 H new ATOM 0 HB VAL A 9 13.333 20.271 4.770 1.00 0.00 H new ATOM 0 HG11 VAL A 9 12.143 22.376 5.332 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.117 21.307 4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 9 10.841 21.435 6.100 1.00 0.00 H new ATOM 0 HG21 VAL A 9 13.793 21.396 6.938 1.00 0.00 H new ATOM 0 HG22 VAL A 9 12.490 20.456 7.702 1.00 0.00 H new ATOM 0 HG23 VAL A 9 13.944 19.630 7.092 1.00 0.00 H new ATOM 152 N ASN A 10 11.481 18.596 3.146 1.00 0.00 N ATOM 153 CA ASN A 10 10.709 18.552 1.908 1.00 0.00 C ATOM 154 C ASN A 10 9.767 17.347 1.879 1.00 0.00 C ATOM 155 O ASN A 10 9.791 16.505 2.775 1.00 0.00 O ATOM 156 CB ASN A 10 11.660 18.507 0.708 1.00 0.00 C ATOM 157 CG ASN A 10 12.554 17.270 0.782 1.00 0.00 C ATOM 158 OD1 ASN A 10 12.219 16.292 1.451 1.00 0.00 O ATOM 159 ND2 ASN A 10 13.687 17.259 0.135 1.00 0.00 N ATOM 0 H ASN A 10 12.471 18.373 3.040 1.00 0.00 H new ATOM 0 HA ASN A 10 10.098 19.453 1.856 1.00 0.00 H new ATOM 0 HB2 ASN A 10 11.086 18.494 -0.219 1.00 0.00 H new ATOM 0 HB3 ASN A 10 12.275 19.407 0.689 1.00 0.00 H new ATOM 0 HD21 ASN A 10 14.294 16.441 0.184 1.00 0.00 H new ATOM 0 HD22 ASN A 10 13.966 18.069 -0.419 1.00 0.00 H new ATOM 166 N ASP A 11 8.926 17.291 0.848 1.00 0.00 N ATOM 167 CA ASP A 11 7.956 16.205 0.713 1.00 0.00 C ATOM 168 C ASP A 11 8.247 15.338 -0.513 1.00 0.00 C ATOM 169 O ASP A 11 9.139 15.638 -1.302 1.00 0.00 O ATOM 170 CB ASP A 11 6.544 16.783 0.602 1.00 0.00 C ATOM 171 CG ASP A 11 6.108 17.351 1.948 1.00 0.00 C ATOM 172 OD1 ASP A 11 6.769 17.065 2.933 1.00 0.00 O ATOM 173 OD2 ASP A 11 5.118 18.065 1.974 1.00 0.00 O ATOM 0 H ASP A 11 8.896 17.981 0.097 1.00 0.00 H new ATOM 0 HA ASP A 11 8.035 15.577 1.600 1.00 0.00 H new ATOM 0 HB2 ASP A 11 6.520 17.565 -0.157 1.00 0.00 H new ATOM 0 HB3 ASP A 11 5.848 16.007 0.282 1.00 0.00 H new ATOM 178 N LYS A 12 7.470 14.258 -0.644 1.00 0.00 N ATOM 179 CA LYS A 12 7.605 13.315 -1.761 1.00 0.00 C ATOM 180 C LYS A 12 8.884 12.499 -1.648 1.00 0.00 C ATOM 181 O LYS A 12 9.989 13.039 -1.658 1.00 0.00 O ATOM 182 CB LYS A 12 7.557 14.042 -3.108 1.00 0.00 C ATOM 183 CG LYS A 12 7.670 13.016 -4.239 1.00 0.00 C ATOM 184 CD LYS A 12 7.595 13.730 -5.588 1.00 0.00 C ATOM 185 CE LYS A 12 7.714 12.700 -6.714 1.00 0.00 C ATOM 186 NZ LYS A 12 7.631 13.393 -8.030 1.00 0.00 N ATOM 0 H LYS A 12 6.733 14.013 0.017 1.00 0.00 H new ATOM 0 HA LYS A 12 6.759 12.630 -1.709 1.00 0.00 H new ATOM 0 HB2 LYS A 12 6.626 14.601 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS A 12 8.370 14.765 -3.174 1.00 0.00 H new ATOM 0 HG2 LYS A 12 8.610 12.471 -4.156 1.00 0.00 H new ATOM 0 HG3 LYS A 12 6.868 12.282 -4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 12 6.653 14.272 -5.674 1.00 0.00 H new ATOM 0 HD3 LYS A 12 8.395 14.466 -5.667 1.00 0.00 H new ATOM 0 HE2 LYS A 12 8.659 12.163 -6.632 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.919 11.959 -6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 7.712 12.694 -8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 6.718 13.886 -8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 8.405 14.083 -8.108 1.00 0.00 H new ATOM 200 N GLY A 13 8.708 11.188 -1.526 1.00 0.00 N ATOM 201 CA GLY A 13 9.825 10.268 -1.392 1.00 0.00 C ATOM 202 C GLY A 13 9.470 9.191 -0.396 1.00 0.00 C ATOM 203 O GLY A 13 8.655 8.321 -0.675 1.00 0.00 O ATOM 0 H GLY A 13 7.793 10.738 -1.517 1.00 0.00 H new ATOM 0 HA2 GLY A 13 10.061 9.822 -2.358 1.00 0.00 H new ATOM 0 HA3 GLY A 13 10.715 10.804 -1.063 1.00 0.00 H new ATOM 207 N LYS A 14 10.049 9.278 0.786 1.00 0.00 N ATOM 208 CA LYS A 14 9.741 8.322 1.823 1.00 0.00 C ATOM 209 C LYS A 14 8.261 8.424 2.117 1.00 0.00 C ATOM 210 O LYS A 14 7.591 7.428 2.362 1.00 0.00 O ATOM 211 CB LYS A 14 10.552 8.622 3.086 1.00 0.00 C ATOM 212 CG LYS A 14 12.035 8.347 2.825 1.00 0.00 C ATOM 213 CD LYS A 14 12.269 6.838 2.684 1.00 0.00 C ATOM 214 CE LYS A 14 13.771 6.561 2.603 1.00 0.00 C ATOM 215 NZ LYS A 14 14.327 7.169 1.360 1.00 0.00 N ATOM 0 H LYS A 14 10.727 9.994 1.047 1.00 0.00 H new ATOM 0 HA LYS A 14 9.997 7.315 1.495 1.00 0.00 H new ATOM 0 HB2 LYS A 14 10.412 9.662 3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 14 10.198 8.005 3.912 1.00 0.00 H new ATOM 0 HG2 LYS A 14 12.355 8.860 1.918 1.00 0.00 H new ATOM 0 HG3 LYS A 14 12.637 8.742 3.643 1.00 0.00 H new ATOM 0 HD2 LYS A 14 11.836 6.311 3.534 1.00 0.00 H new ATOM 0 HD3 LYS A 14 11.770 6.464 1.790 1.00 0.00 H new ATOM 0 HE2 LYS A 14 14.274 6.973 3.478 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.953 5.486 2.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.036 6.530 0.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.560 7.322 0.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.773 8.080 1.589 1.00 0.00 H new ATOM 229 N ALA A 15 7.758 9.648 2.067 1.00 0.00 N ATOM 230 CA ALA A 15 6.351 9.904 2.301 1.00 0.00 C ATOM 231 C ALA A 15 5.516 9.406 1.117 1.00 0.00 C ATOM 232 O ALA A 15 4.851 8.379 1.205 1.00 0.00 O ATOM 233 CB ALA A 15 6.146 11.408 2.473 1.00 0.00 C ATOM 0 H ALA A 15 8.310 10.482 1.865 1.00 0.00 H new ATOM 0 HA ALA A 15 6.032 9.376 3.200 1.00 0.00 H new ATOM 0 HB1 ALA A 15 5.090 11.613 2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 15 6.731 11.760 3.322 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.470 11.925 1.570 1.00 0.00 H new ATOM 239 N ALA A 16 5.509 10.177 0.033 1.00 0.00 N ATOM 240 CA ALA A 16 4.702 9.851 -1.142 1.00 0.00 C ATOM 241 C ALA A 16 4.849 8.400 -1.575 1.00 0.00 C ATOM 242 O ALA A 16 3.862 7.782 -1.966 1.00 0.00 O ATOM 243 CB ALA A 16 5.092 10.757 -2.309 1.00 0.00 C ATOM 0 H ALA A 16 6.054 11.034 -0.057 1.00 0.00 H new ATOM 0 HA ALA A 16 3.661 10.010 -0.860 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.487 10.508 -3.181 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.922 11.798 -2.034 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.146 10.612 -2.546 1.00 0.00 H new ATOM 249 N VAL A 17 6.044 7.832 -1.504 1.00 0.00 N ATOM 250 CA VAL A 17 6.178 6.440 -1.902 1.00 0.00 C ATOM 251 C VAL A 17 5.314 5.588 -1.005 1.00 0.00 C ATOM 252 O VAL A 17 4.598 4.704 -1.462 1.00 0.00 O ATOM 253 CB VAL A 17 7.604 5.939 -1.807 1.00 0.00 C ATOM 254 CG1 VAL A 17 7.589 4.428 -2.025 1.00 0.00 C ATOM 255 CG2 VAL A 17 8.455 6.601 -2.884 1.00 0.00 C ATOM 0 H VAL A 17 6.900 8.289 -1.189 1.00 0.00 H new ATOM 0 HA VAL A 17 5.868 6.371 -2.945 1.00 0.00 H new ATOM 0 HB VAL A 17 8.025 6.179 -0.831 1.00 0.00 H new ATOM 0 HG11 VAL A 17 8.606 4.041 -1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 17 6.973 3.956 -1.260 1.00 0.00 H new ATOM 0 HG13 VAL A 17 7.177 4.207 -3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.480 6.238 -2.812 1.00 0.00 H new ATOM 0 HG22 VAL A 17 8.052 6.358 -3.867 1.00 0.00 H new ATOM 0 HG23 VAL A 17 8.442 7.682 -2.744 1.00 0.00 H new ATOM 265 N VAL A 18 5.363 5.867 0.277 1.00 0.00 N ATOM 266 CA VAL A 18 4.550 5.131 1.204 1.00 0.00 C ATOM 267 C VAL A 18 3.095 5.351 0.878 1.00 0.00 C ATOM 268 O VAL A 18 2.298 4.422 0.902 1.00 0.00 O ATOM 269 CB VAL A 18 4.807 5.597 2.637 1.00 0.00 C ATOM 270 CG1 VAL A 18 3.732 5.006 3.562 1.00 0.00 C ATOM 271 CG2 VAL A 18 6.201 5.127 3.092 1.00 0.00 C ATOM 0 H VAL A 18 5.951 6.589 0.693 1.00 0.00 H new ATOM 0 HA VAL A 18 4.803 4.074 1.121 1.00 0.00 H new ATOM 0 HB VAL A 18 4.766 6.685 2.681 1.00 0.00 H new ATOM 0 HG11 VAL A 18 3.911 5.336 4.585 1.00 0.00 H new ATOM 0 HG12 VAL A 18 2.748 5.345 3.239 1.00 0.00 H new ATOM 0 HG13 VAL A 18 3.773 3.918 3.519 1.00 0.00 H new ATOM 0 HG21 VAL A 18 6.382 5.460 4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 18 6.249 4.039 3.052 1.00 0.00 H new ATOM 0 HG23 VAL A 18 6.960 5.549 2.433 1.00 0.00 H new ATOM 281 N LYS A 19 2.752 6.604 0.625 1.00 0.00 N ATOM 282 CA LYS A 19 1.379 6.978 0.349 1.00 0.00 C ATOM 283 C LYS A 19 0.833 6.296 -0.879 1.00 0.00 C ATOM 284 O LYS A 19 -0.302 5.885 -0.878 1.00 0.00 O ATOM 285 CB LYS A 19 1.253 8.501 0.193 1.00 0.00 C ATOM 286 CG LYS A 19 1.153 9.218 1.568 1.00 0.00 C ATOM 287 CD LYS A 19 1.853 8.419 2.679 1.00 0.00 C ATOM 288 CE LYS A 19 2.151 9.344 3.861 1.00 0.00 C ATOM 289 NZ LYS A 19 2.650 8.537 5.009 1.00 0.00 N ATOM 0 H LYS A 19 3.412 7.382 0.606 1.00 0.00 H new ATOM 0 HA LYS A 19 0.788 6.648 1.203 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.115 8.883 -0.353 1.00 0.00 H new ATOM 0 HB3 LYS A 19 0.370 8.733 -0.403 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.601 10.209 1.495 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.104 9.361 1.828 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.220 7.592 3.001 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.778 7.984 2.301 1.00 0.00 H new ATOM 0 HE2 LYS A 19 2.894 10.089 3.576 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.250 9.887 4.148 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.853 9.165 5.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 1.927 7.843 5.286 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.520 8.039 4.731 1.00 0.00 H new ATOM 303 N VAL A 20 1.606 6.150 -1.936 1.00 0.00 N ATOM 304 CA VAL A 20 1.038 5.480 -3.079 1.00 0.00 C ATOM 305 C VAL A 20 0.678 4.064 -2.670 1.00 0.00 C ATOM 306 O VAL A 20 -0.363 3.544 -3.051 1.00 0.00 O ATOM 307 CB VAL A 20 1.974 5.488 -4.297 1.00 0.00 C ATOM 308 CG1 VAL A 20 2.087 6.914 -4.831 1.00 0.00 C ATOM 309 CG2 VAL A 20 3.359 4.988 -3.912 1.00 0.00 C ATOM 0 H VAL A 20 2.572 6.466 -2.026 1.00 0.00 H new ATOM 0 HA VAL A 20 0.145 6.020 -3.393 1.00 0.00 H new ATOM 0 HB VAL A 20 1.563 4.829 -5.061 1.00 0.00 H new ATOM 0 HG11 VAL A 20 2.750 6.927 -5.696 1.00 0.00 H new ATOM 0 HG12 VAL A 20 1.100 7.272 -5.125 1.00 0.00 H new ATOM 0 HG13 VAL A 20 2.491 7.563 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.007 5.001 -4.788 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.778 5.635 -3.141 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.285 3.970 -3.531 1.00 0.00 H new ATOM 319 N VAL A 21 1.532 3.461 -1.857 1.00 0.00 N ATOM 320 CA VAL A 21 1.284 2.117 -1.377 1.00 0.00 C ATOM 321 C VAL A 21 0.054 2.072 -0.459 1.00 0.00 C ATOM 322 O VAL A 21 -0.819 1.216 -0.628 1.00 0.00 O ATOM 323 CB VAL A 21 2.520 1.602 -0.650 1.00 0.00 C ATOM 324 CG1 VAL A 21 2.216 0.253 0.013 1.00 0.00 C ATOM 325 CG2 VAL A 21 3.650 1.440 -1.665 1.00 0.00 C ATOM 0 H VAL A 21 2.398 3.881 -1.519 1.00 0.00 H new ATOM 0 HA VAL A 21 1.076 1.473 -2.231 1.00 0.00 H new ATOM 0 HB VAL A 21 2.815 2.310 0.125 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.105 -0.107 0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.404 0.375 0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 21 1.922 -0.469 -0.749 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.543 1.072 -1.160 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.349 0.729 -2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.866 2.404 -2.126 1.00 0.00 H new ATOM 335 N GLU A 22 -0.038 3.015 0.497 1.00 0.00 N ATOM 336 CA GLU A 22 -1.203 3.047 1.382 1.00 0.00 C ATOM 337 C GLU A 22 -2.373 3.527 0.575 1.00 0.00 C ATOM 338 O GLU A 22 -3.257 2.777 0.281 1.00 0.00 O ATOM 339 CB GLU A 22 -0.957 4.008 2.554 1.00 0.00 C ATOM 340 CG GLU A 22 0.260 3.556 3.356 1.00 0.00 C ATOM 341 CD GLU A 22 0.514 4.546 4.492 1.00 0.00 C ATOM 342 OE1 GLU A 22 -0.283 5.456 4.644 1.00 0.00 O ATOM 343 OE2 GLU A 22 1.503 4.386 5.185 1.00 0.00 O ATOM 0 H GLU A 22 0.659 3.740 0.669 1.00 0.00 H new ATOM 0 HA GLU A 22 -1.393 2.054 1.790 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -0.800 5.019 2.179 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.835 4.040 3.198 1.00 0.00 H new ATOM 0 HG2 GLU A 22 0.093 2.557 3.759 1.00 0.00 H new ATOM 0 HG3 GLU A 22 1.135 3.496 2.708 1.00 0.00 H new ATOM 350 N SER A 23 -2.348 4.798 0.242 1.00 0.00 N ATOM 351 CA SER A 23 -3.413 5.439 -0.525 1.00 0.00 C ATOM 352 C SER A 23 -3.873 4.637 -1.783 1.00 0.00 C ATOM 353 O SER A 23 -4.980 4.879 -2.295 1.00 0.00 O ATOM 354 CB SER A 23 -2.959 6.829 -0.971 1.00 0.00 C ATOM 355 OG SER A 23 -4.083 7.561 -1.443 1.00 0.00 O ATOM 0 H SER A 23 -1.586 5.428 0.494 1.00 0.00 H new ATOM 0 HA SER A 23 -4.270 5.490 0.146 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.491 7.356 -0.139 1.00 0.00 H new ATOM 0 HB3 SER A 23 -2.209 6.744 -1.758 1.00 0.00 H new ATOM 0 HG SER A 23 -4.691 6.957 -1.918 1.00 0.00 H new ATOM 361 N GLN A 24 -3.144 3.575 -2.167 1.00 0.00 N ATOM 362 CA GLN A 24 -3.621 2.704 -3.240 1.00 0.00 C ATOM 363 C GLN A 24 -4.623 1.737 -2.639 1.00 0.00 C ATOM 364 O GLN A 24 -5.801 1.676 -3.006 1.00 0.00 O ATOM 365 CB GLN A 24 -2.463 1.896 -3.861 1.00 0.00 C ATOM 366 CG GLN A 24 -3.023 0.818 -4.802 1.00 0.00 C ATOM 367 CD GLN A 24 -1.897 -0.011 -5.409 1.00 0.00 C ATOM 368 OE1 GLN A 24 -0.752 0.437 -5.475 1.00 0.00 O ATOM 369 NE2 GLN A 24 -2.171 -1.208 -5.858 1.00 0.00 N ATOM 0 H GLN A 24 -2.247 3.309 -1.760 1.00 0.00 H new ATOM 0 HA GLN A 24 -4.070 3.314 -4.024 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -1.798 2.561 -4.411 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -1.869 1.431 -3.074 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -3.704 0.168 -4.253 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -3.603 1.288 -5.596 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -3.123 -1.570 -5.798 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -1.433 -1.780 -6.268 1.00 0.00 H new ATOM 378 N ALA A 25 -4.090 0.977 -1.703 1.00 0.00 N ATOM 379 CA ALA A 25 -4.847 -0.031 -1.001 1.00 0.00 C ATOM 380 C ALA A 25 -5.788 0.582 0.016 1.00 0.00 C ATOM 381 O ALA A 25 -6.706 -0.067 0.479 1.00 0.00 O ATOM 382 CB ALA A 25 -3.904 -1.008 -0.329 1.00 0.00 C ATOM 0 H ALA A 25 -3.115 1.044 -1.409 1.00 0.00 H new ATOM 0 HA ALA A 25 -5.458 -0.563 -1.730 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.482 -1.766 0.199 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.279 -1.487 -1.083 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -3.272 -0.474 0.380 1.00 0.00 H new ATOM 388 N GLU A 26 -5.610 1.848 0.304 1.00 0.00 N ATOM 389 CA GLU A 26 -6.506 2.503 1.199 1.00 0.00 C ATOM 390 C GLU A 26 -7.809 2.519 0.533 1.00 0.00 C ATOM 391 O GLU A 26 -8.820 2.117 1.110 1.00 0.00 O ATOM 392 CB GLU A 26 -6.076 3.923 1.480 1.00 0.00 C ATOM 393 CG GLU A 26 -7.325 4.751 1.804 1.00 0.00 C ATOM 394 CD GLU A 26 -6.924 6.118 2.350 1.00 0.00 C ATOM 395 OE1 GLU A 26 -5.908 6.633 1.911 1.00 0.00 O ATOM 396 OE2 GLU A 26 -7.636 6.626 3.198 1.00 0.00 O ATOM 0 H GLU A 26 -4.860 2.432 -0.067 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.530 1.979 2.154 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.376 3.949 2.315 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.558 4.340 0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -7.932 4.873 0.907 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -7.939 4.225 2.535 1.00 0.00 H new ATOM 403 N LEU A 27 -7.814 2.960 -0.722 1.00 0.00 N ATOM 404 CA LEU A 27 -9.055 2.952 -1.399 1.00 0.00 C ATOM 405 C LEU A 27 -9.512 1.581 -1.556 1.00 0.00 C ATOM 406 O LEU A 27 -10.702 1.357 -1.696 1.00 0.00 O ATOM 407 CB LEU A 27 -9.072 3.515 -2.754 1.00 0.00 C ATOM 408 CG LEU A 27 -9.187 5.048 -2.746 1.00 0.00 C ATOM 409 CD1 LEU A 27 -8.132 5.669 -1.813 1.00 0.00 C ATOM 410 CD2 LEU A 27 -8.970 5.561 -4.173 1.00 0.00 C ATOM 0 H LEU A 27 -7.009 3.304 -1.246 1.00 0.00 H new ATOM 0 HA LEU A 27 -9.683 3.583 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -8.162 3.224 -3.278 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.909 3.093 -3.310 1.00 0.00 H new ATOM 0 HG LEU A 27 -10.175 5.332 -2.384 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -8.232 6.754 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -8.281 5.300 -0.798 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -7.135 5.393 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -9.048 6.648 -4.185 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -7.980 5.265 -4.519 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -9.727 5.136 -4.832 1.00 0.00 H new ATOM 422 N TYR A 28 -8.614 0.624 -1.563 1.00 0.00 N ATOM 423 CA TYR A 28 -9.116 -0.676 -1.716 1.00 0.00 C ATOM 424 C TYR A 28 -10.087 -0.879 -0.570 1.00 0.00 C ATOM 425 O TYR A 28 -11.222 -1.182 -0.769 1.00 0.00 O ATOM 426 CB TYR A 28 -8.043 -1.745 -1.700 1.00 0.00 C ATOM 427 CG TYR A 28 -7.206 -1.686 -2.975 1.00 0.00 C ATOM 428 CD1 TYR A 28 -6.141 -2.581 -3.140 1.00 0.00 C ATOM 429 CD2 TYR A 28 -7.482 -0.741 -3.985 1.00 0.00 C ATOM 430 CE1 TYR A 28 -5.360 -2.537 -4.297 1.00 0.00 C ATOM 431 CE2 TYR A 28 -6.697 -0.702 -5.141 1.00 0.00 C ATOM 432 CZ TYR A 28 -5.637 -1.600 -5.297 1.00 0.00 C ATOM 433 OH TYR A 28 -4.865 -1.559 -6.440 1.00 0.00 O ATOM 0 H TYR A 28 -7.604 0.728 -1.470 1.00 0.00 H new ATOM 0 HA TYR A 28 -9.591 -0.774 -2.692 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.400 -1.610 -0.830 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -8.503 -2.729 -1.606 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -5.923 -3.307 -2.371 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.301 -0.047 -3.865 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -4.540 -3.229 -4.420 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -6.909 0.022 -5.914 1.00 0.00 H new ATOM 0 HH TYR A 28 -5.194 -0.850 -7.031 1.00 0.00 H new ATOM 443 N SER A 29 -9.647 -0.566 0.606 1.00 0.00 N ATOM 444 CA SER A 29 -10.502 -0.618 1.776 1.00 0.00 C ATOM 445 C SER A 29 -11.645 0.386 1.676 1.00 0.00 C ATOM 446 O SER A 29 -12.692 0.194 2.294 1.00 0.00 O ATOM 447 CB SER A 29 -9.691 -0.357 3.012 1.00 0.00 C ATOM 448 OG SER A 29 -8.856 -1.471 3.204 1.00 0.00 O ATOM 0 H SER A 29 -8.691 -0.267 0.796 1.00 0.00 H new ATOM 0 HA SER A 29 -10.939 -1.615 1.832 1.00 0.00 H new ATOM 0 HB2 SER A 29 -9.100 0.552 2.900 1.00 0.00 H new ATOM 0 HB3 SER A 29 -10.341 -0.210 3.875 1.00 0.00 H new ATOM 0 HG SER A 29 -8.580 -1.827 2.334 1.00 0.00 H new ATOM 454 N LEU A 30 -11.491 1.410 0.838 1.00 0.00 N ATOM 455 CA LEU A 30 -12.587 2.339 0.633 1.00 0.00 C ATOM 456 C LEU A 30 -13.686 1.537 -0.027 1.00 0.00 C ATOM 457 O LEU A 30 -14.842 1.551 0.394 1.00 0.00 O ATOM 458 CB LEU A 30 -12.156 3.541 -0.231 1.00 0.00 C ATOM 459 CG LEU A 30 -13.340 4.496 -0.534 1.00 0.00 C ATOM 460 CD1 LEU A 30 -14.147 3.983 -1.741 1.00 0.00 C ATOM 461 CD2 LEU A 30 -14.261 4.629 0.693 1.00 0.00 C ATOM 0 H LEU A 30 -10.643 1.610 0.307 1.00 0.00 H new ATOM 0 HA LEU A 30 -12.926 2.769 1.575 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -11.368 4.092 0.283 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.733 3.180 -1.168 1.00 0.00 H new ATOM 0 HG LEU A 30 -12.931 5.478 -0.771 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -14.974 4.664 -1.941 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -13.499 3.932 -2.616 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -14.539 2.990 -1.521 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -15.085 5.303 0.458 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -14.658 3.649 0.958 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.693 5.029 1.533 1.00 0.00 H new ATOM 473 N GLU A 31 -13.271 0.769 -1.033 1.00 0.00 N ATOM 474 CA GLU A 31 -14.155 -0.124 -1.731 1.00 0.00 C ATOM 475 C GLU A 31 -14.217 -1.437 -0.894 1.00 0.00 C ATOM 476 O GLU A 31 -14.952 -1.505 0.086 1.00 0.00 O ATOM 477 CB GLU A 31 -13.618 -0.338 -3.174 1.00 0.00 C ATOM 478 CG GLU A 31 -14.237 -1.581 -3.834 1.00 0.00 C ATOM 479 CD GLU A 31 -15.705 -1.708 -3.446 1.00 0.00 C ATOM 480 OE1 GLU A 31 -16.409 -0.715 -3.536 1.00 0.00 O ATOM 481 OE2 GLU A 31 -16.105 -2.795 -3.064 1.00 0.00 O ATOM 0 H GLU A 31 -12.311 0.758 -1.377 1.00 0.00 H new ATOM 0 HA GLU A 31 -15.166 0.270 -1.835 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -13.838 0.542 -3.778 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.533 -0.443 -3.147 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -14.145 -1.510 -4.918 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -13.693 -2.474 -3.526 1.00 0.00 H new ATOM 488 N LYS A 32 -13.324 -2.391 -1.249 1.00 0.00 N ATOM 489 CA LYS A 32 -13.056 -3.663 -0.517 1.00 0.00 C ATOM 490 C LYS A 32 -13.646 -3.725 0.896 1.00 0.00 C ATOM 491 O LYS A 32 -14.186 -4.751 1.305 1.00 0.00 O ATOM 492 CB LYS A 32 -11.531 -3.912 -0.473 1.00 0.00 C ATOM 493 CG LYS A 32 -10.956 -3.742 -1.895 1.00 0.00 C ATOM 494 CD LYS A 32 -10.058 -4.926 -2.281 1.00 0.00 C ATOM 495 CE LYS A 32 -8.996 -5.185 -1.207 1.00 0.00 C ATOM 496 NZ LYS A 32 -7.674 -5.416 -1.858 1.00 0.00 N ATOM 0 H LYS A 32 -12.746 -2.297 -2.084 1.00 0.00 H new ATOM 0 HA LYS A 32 -13.566 -4.450 -1.073 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -11.054 -3.212 0.213 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -11.323 -4.915 -0.100 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -11.773 -3.654 -2.611 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -10.383 -2.816 -1.949 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -10.667 -5.819 -2.417 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.573 -4.722 -3.235 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -8.935 -4.334 -0.528 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -9.274 -6.052 -0.607 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -7.224 -6.256 -1.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -7.811 -5.567 -2.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.064 -4.587 -1.710 1.00 0.00 H new ATOM 510 N ASN A 33 -13.460 -2.609 1.639 1.00 0.00 N ATOM 511 CA ASN A 33 -13.889 -2.473 3.043 1.00 0.00 C ATOM 512 C ASN A 33 -12.834 -3.058 3.995 1.00 0.00 C ATOM 513 O ASN A 33 -12.273 -2.330 4.813 1.00 0.00 O ATOM 514 CB ASN A 33 -15.242 -3.155 3.273 1.00 0.00 C ATOM 515 CG ASN A 33 -16.226 -2.717 2.194 1.00 0.00 C ATOM 516 OD1 ASN A 33 -16.536 -1.531 2.082 1.00 0.00 O ATOM 517 ND2 ASN A 33 -16.713 -3.601 1.368 1.00 0.00 N ATOM 0 H ASN A 33 -13.004 -1.773 1.274 1.00 0.00 H new ATOM 0 HA ASN A 33 -13.999 -1.409 3.255 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -15.123 -4.238 3.252 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -15.628 -2.896 4.259 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -17.352 -3.310 0.628 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -16.455 -4.583 1.462 1.00 0.00 H new ATOM 524 N GLU A 34 -12.556 -4.353 3.895 1.00 0.00 N ATOM 525 CA GLU A 34 -11.573 -4.975 4.750 1.00 0.00 C ATOM 526 C GLU A 34 -10.788 -5.981 3.936 1.00 0.00 C ATOM 527 O GLU A 34 -11.366 -6.807 3.228 1.00 0.00 O ATOM 528 CB GLU A 34 -12.256 -5.676 5.924 1.00 0.00 C ATOM 529 CG GLU A 34 -11.204 -6.080 6.960 1.00 0.00 C ATOM 530 CD GLU A 34 -10.519 -7.376 6.539 1.00 0.00 C ATOM 531 OE1 GLU A 34 -11.135 -8.146 5.822 1.00 0.00 O ATOM 532 OE2 GLU A 34 -9.384 -7.581 6.941 1.00 0.00 O ATOM 0 H GLU A 34 -13.001 -4.985 3.229 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.903 -4.213 5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -12.993 -5.014 6.378 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -12.793 -6.557 5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -10.464 -5.287 7.065 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -11.674 -6.209 7.935 1.00 0.00 H new ATOM 539 N ASP A 35 -9.483 -5.896 4.018 1.00 0.00 N ATOM 540 CA ASP A 35 -8.634 -6.798 3.258 1.00 0.00 C ATOM 541 C ASP A 35 -7.151 -6.557 3.564 1.00 0.00 C ATOM 542 O ASP A 35 -6.303 -7.414 3.312 1.00 0.00 O ATOM 543 CB ASP A 35 -8.862 -6.562 1.782 1.00 0.00 C ATOM 544 CG ASP A 35 -7.794 -7.286 0.969 1.00 0.00 C ATOM 545 OD1 ASP A 35 -7.831 -8.505 0.929 1.00 0.00 O ATOM 546 OD2 ASP A 35 -6.954 -6.609 0.399 1.00 0.00 O ATOM 0 H ASP A 35 -8.983 -5.220 4.596 1.00 0.00 H new ATOM 0 HA ASP A 35 -8.888 -7.821 3.536 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -9.852 -6.918 1.497 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -8.833 -5.494 1.567 1.00 0.00 H new ATOM 551 N ALA A 36 -6.880 -5.366 4.082 1.00 0.00 N ATOM 552 CA ALA A 36 -5.545 -4.903 4.432 1.00 0.00 C ATOM 553 C ALA A 36 -4.560 -5.979 4.723 1.00 0.00 C ATOM 554 O ALA A 36 -4.816 -6.927 5.467 1.00 0.00 O ATOM 555 CB ALA A 36 -5.697 -3.970 5.611 1.00 0.00 C ATOM 0 H ALA A 36 -7.605 -4.675 4.276 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.124 -4.401 3.561 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -4.717 -3.597 5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.335 -3.131 5.331 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.149 -4.508 6.444 1.00 0.00 H new ATOM 561 N SER A 37 -3.395 -5.751 4.103 1.00 0.00 N ATOM 562 CA SER A 37 -2.238 -6.589 4.198 1.00 0.00 C ATOM 563 C SER A 37 -1.448 -6.497 2.900 1.00 0.00 C ATOM 564 O SER A 37 -1.831 -7.083 1.889 1.00 0.00 O ATOM 565 CB SER A 37 -2.592 -8.034 4.433 1.00 0.00 C ATOM 566 OG SER A 37 -2.733 -8.270 5.829 1.00 0.00 O ATOM 0 H SER A 37 -3.248 -4.940 3.502 1.00 0.00 H new ATOM 0 HA SER A 37 -1.653 -6.239 5.049 1.00 0.00 H new ATOM 0 HB2 SER A 37 -3.520 -8.280 3.917 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.817 -8.680 4.021 1.00 0.00 H new ATOM 0 HG SER A 37 -3.636 -8.016 6.114 1.00 0.00 H new ATOM 572 N LEU A 38 -0.310 -5.822 2.953 1.00 0.00 N ATOM 573 CA LEU A 38 0.562 -5.711 1.820 1.00 0.00 C ATOM 574 C LEU A 38 0.925 -7.062 1.359 1.00 0.00 C ATOM 575 O LEU A 38 1.354 -7.238 0.278 1.00 0.00 O ATOM 576 CB LEU A 38 1.851 -5.070 2.245 1.00 0.00 C ATOM 577 CG LEU A 38 1.628 -3.625 2.551 1.00 0.00 C ATOM 578 CD1 LEU A 38 2.880 -3.077 3.269 1.00 0.00 C ATOM 579 CD2 LEU A 38 1.376 -2.883 1.234 1.00 0.00 C ATOM 0 H LEU A 38 0.025 -5.340 3.787 1.00 0.00 H new ATOM 0 HA LEU A 38 0.056 -5.133 1.046 1.00 0.00 H new ATOM 0 HB2 LEU A 38 2.247 -5.579 3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.595 -5.172 1.455 1.00 0.00 H new ATOM 0 HG LEU A 38 0.764 -3.486 3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 38 2.734 -2.022 3.500 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.042 -3.632 4.193 1.00 0.00 H new ATOM 0 HD13 LEU A 38 3.749 -3.190 2.621 1.00 0.00 H new ATOM 0 HD21 LEU A 38 1.211 -1.825 1.438 1.00 0.00 H new ATOM 0 HD22 LEU A 38 2.242 -2.996 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.496 -3.300 0.744 1.00 0.00 H new ATOM 591 N ARG A 39 0.799 -7.999 2.221 1.00 0.00 N ATOM 592 CA ARG A 39 1.159 -9.327 1.913 1.00 0.00 C ATOM 593 C ARG A 39 0.167 -9.890 0.936 1.00 0.00 C ATOM 594 O ARG A 39 0.533 -10.518 -0.045 1.00 0.00 O ATOM 595 CB ARG A 39 1.183 -10.109 3.229 1.00 0.00 C ATOM 596 CG ARG A 39 1.582 -9.139 4.370 1.00 0.00 C ATOM 597 CD ARG A 39 2.330 -9.869 5.472 1.00 0.00 C ATOM 598 NE ARG A 39 1.519 -9.931 6.685 1.00 0.00 N ATOM 599 CZ ARG A 39 2.002 -10.428 7.825 1.00 0.00 C ATOM 600 NH1 ARG A 39 3.229 -10.879 7.890 1.00 0.00 N ATOM 601 NH2 ARG A 39 1.242 -10.465 8.885 1.00 0.00 N ATOM 0 H ARG A 39 0.441 -7.864 3.166 1.00 0.00 H new ATOM 0 HA ARG A 39 2.142 -9.388 1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.204 -10.546 3.428 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.893 -10.933 3.167 1.00 0.00 H new ATOM 0 HG2 ARG A 39 2.206 -8.340 3.970 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.688 -8.670 4.782 1.00 0.00 H new ATOM 0 HD2 ARG A 39 2.581 -10.877 5.143 1.00 0.00 H new ATOM 0 HD3 ARG A 39 3.270 -9.359 5.681 1.00 0.00 H new ATOM 0 HE ARG A 39 0.560 -9.586 6.660 1.00 0.00 H new ATOM 0 HH11 ARG A 39 3.826 -10.853 7.064 1.00 0.00 H new ATOM 0 HH12 ARG A 39 3.588 -11.257 8.767 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.285 -10.115 8.839 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.605 -10.844 9.760 1.00 0.00 H new ATOM 615 N LYS A 40 -1.076 -9.710 1.273 1.00 0.00 N ATOM 616 CA LYS A 40 -2.174 -10.241 0.494 1.00 0.00 C ATOM 617 C LYS A 40 -2.568 -9.411 -0.726 1.00 0.00 C ATOM 618 O LYS A 40 -2.767 -9.965 -1.800 1.00 0.00 O ATOM 619 CB LYS A 40 -3.322 -10.359 1.399 1.00 0.00 C ATOM 620 CG LYS A 40 -3.340 -11.768 1.994 1.00 0.00 C ATOM 621 CD LYS A 40 -1.977 -12.053 2.633 1.00 0.00 C ATOM 622 CE LYS A 40 -2.043 -13.351 3.442 1.00 0.00 C ATOM 623 NZ LYS A 40 -0.701 -13.644 4.029 1.00 0.00 N ATOM 0 H LYS A 40 -1.367 -9.188 2.100 1.00 0.00 H new ATOM 0 HA LYS A 40 -1.849 -11.197 0.083 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -3.254 -9.615 2.193 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -4.249 -10.166 0.859 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -4.131 -11.853 2.739 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -3.554 -12.503 1.218 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.213 -12.134 1.860 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -1.689 -11.225 3.280 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -2.786 -13.260 4.234 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.359 -14.175 2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -0.747 -14.526 4.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -0.003 -13.748 3.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -0.417 -12.862 4.653 1.00 0.00 H new ATOM 637 N LEU A 41 -2.688 -8.102 -0.607 1.00 0.00 N ATOM 638 CA LEU A 41 -3.050 -7.354 -1.774 1.00 0.00 C ATOM 639 C LEU A 41 -1.940 -7.541 -2.770 1.00 0.00 C ATOM 640 O LEU A 41 -2.155 -7.938 -3.911 1.00 0.00 O ATOM 641 CB LEU A 41 -3.270 -5.872 -1.445 1.00 0.00 C ATOM 642 CG LEU A 41 -2.118 -5.324 -0.613 1.00 0.00 C ATOM 643 CD1 LEU A 41 -1.406 -4.239 -1.399 1.00 0.00 C ATOM 644 CD2 LEU A 41 -2.661 -4.730 0.661 1.00 0.00 C ATOM 0 H LEU A 41 -2.546 -7.563 0.247 1.00 0.00 H new ATOM 0 HA LEU A 41 -3.996 -7.710 -2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -3.362 -5.300 -2.368 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -4.207 -5.751 -0.901 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.422 -6.129 -0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.580 -3.843 -0.807 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -1.019 -4.657 -2.328 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.107 -3.436 -1.627 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -1.839 -4.337 1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.353 -3.923 0.420 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -3.185 -5.500 1.227 1.00 0.00 H new ATOM 656 N GLN A 42 -0.738 -7.329 -2.312 1.00 0.00 N ATOM 657 CA GLN A 42 0.384 -7.516 -3.115 1.00 0.00 C ATOM 658 C GLN A 42 0.403 -8.939 -3.550 1.00 0.00 C ATOM 659 O GLN A 42 0.727 -9.204 -4.687 1.00 0.00 O ATOM 660 CB GLN A 42 1.539 -7.171 -2.287 1.00 0.00 C ATOM 661 CG GLN A 42 2.827 -7.584 -2.896 1.00 0.00 C ATOM 662 CD GLN A 42 3.580 -8.332 -1.815 1.00 0.00 C ATOM 663 OE1 GLN A 42 4.735 -8.041 -1.522 1.00 0.00 O ATOM 664 NE2 GLN A 42 2.951 -9.282 -1.177 1.00 0.00 N ATOM 0 H GLN A 42 -0.533 -7.020 -1.362 1.00 0.00 H new ATOM 0 HA GLN A 42 0.387 -6.898 -4.013 1.00 0.00 H new ATOM 0 HB2 GLN A 42 1.551 -6.094 -2.119 1.00 0.00 H new ATOM 0 HB3 GLN A 42 1.435 -7.645 -1.311 1.00 0.00 H new ATOM 0 HG2 GLN A 42 2.661 -8.219 -3.766 1.00 0.00 H new ATOM 0 HG3 GLN A 42 3.393 -6.717 -3.237 1.00 0.00 H new ATOM 0 HE21 GLN A 42 1.991 -9.516 -1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 42 3.420 -9.790 -0.427 1.00 0.00 H new ATOM 673 N ALA A 43 0.128 -9.879 -2.622 1.00 0.00 N ATOM 674 CA ALA A 43 0.156 -11.293 -2.975 1.00 0.00 C ATOM 675 C ALA A 43 -0.207 -11.464 -4.438 1.00 0.00 C ATOM 676 O ALA A 43 0.500 -12.099 -5.222 1.00 0.00 O ATOM 677 CB ALA A 43 -0.900 -12.036 -2.217 1.00 0.00 C ATOM 0 H ALA A 43 -0.109 -9.682 -1.650 1.00 0.00 H new ATOM 0 HA ALA A 43 1.155 -11.667 -2.751 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.869 -13.091 -2.489 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.721 -11.932 -1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.880 -11.627 -2.462 1.00 0.00 H new ATOM 683 N ASP A 44 -1.346 -10.853 -4.770 1.00 0.00 N ATOM 684 CA ASP A 44 -1.891 -10.875 -6.138 1.00 0.00 C ATOM 685 C ASP A 44 -0.989 -10.083 -7.066 1.00 0.00 C ATOM 686 O ASP A 44 -0.664 -10.521 -8.169 1.00 0.00 O ATOM 687 CB ASP A 44 -3.299 -10.283 -6.156 1.00 0.00 C ATOM 688 CG ASP A 44 -3.927 -10.464 -7.537 1.00 0.00 C ATOM 689 OD1 ASP A 44 -3.218 -10.883 -8.440 1.00 0.00 O ATOM 690 OD2 ASP A 44 -5.107 -10.181 -7.671 1.00 0.00 O ATOM 0 H ASP A 44 -1.917 -10.331 -4.106 1.00 0.00 H new ATOM 0 HA ASP A 44 -1.939 -11.909 -6.480 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -3.916 -10.770 -5.401 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -3.260 -9.224 -5.902 1.00 0.00 H new ATOM 695 N GLY A 45 -0.545 -8.933 -6.577 1.00 0.00 N ATOM 696 CA GLY A 45 0.370 -8.098 -7.322 1.00 0.00 C ATOM 697 C GLY A 45 -0.211 -6.731 -7.687 1.00 0.00 C ATOM 698 O GLY A 45 0.341 -6.054 -8.557 1.00 0.00 O ATOM 0 H GLY A 45 -0.808 -8.562 -5.664 1.00 0.00 H new ATOM 0 HA2 GLY A 45 1.277 -7.953 -6.735 1.00 0.00 H new ATOM 0 HA3 GLY A 45 0.660 -8.616 -8.236 1.00 0.00 H new ATOM 702 N ARG A 46 -1.238 -6.269 -6.938 1.00 0.00 N ATOM 703 CA ARG A 46 -1.732 -4.907 -7.133 1.00 0.00 C ATOM 704 C ARG A 46 -0.490 -4.051 -7.135 1.00 0.00 C ATOM 705 O ARG A 46 -0.258 -3.191 -7.985 1.00 0.00 O ATOM 706 CB ARG A 46 -2.635 -4.479 -5.984 1.00 0.00 C ATOM 707 CG ARG A 46 -3.975 -5.190 -6.086 1.00 0.00 C ATOM 708 CD ARG A 46 -4.002 -6.308 -5.065 1.00 0.00 C ATOM 709 NE ARG A 46 -5.346 -6.469 -4.518 1.00 0.00 N ATOM 710 CZ ARG A 46 -6.285 -7.179 -5.153 1.00 0.00 C ATOM 711 NH1 ARG A 46 -6.029 -7.750 -6.305 1.00 0.00 N ATOM 712 NH2 ARG A 46 -7.469 -7.304 -4.622 1.00 0.00 N ATOM 0 H ARG A 46 -1.721 -6.807 -6.218 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.318 -4.821 -8.048 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -2.161 -4.713 -5.031 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -2.783 -3.399 -6.009 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -4.790 -4.490 -5.904 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -4.117 -5.590 -7.090 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -3.678 -7.240 -5.529 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -3.299 -6.091 -4.261 1.00 0.00 H new ATOM 0 HE ARG A 46 -5.575 -6.028 -3.627 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -5.105 -7.655 -6.727 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -6.754 -8.289 -6.779 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -7.676 -6.861 -3.727 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -8.189 -7.844 -5.102 1.00 0.00 H new ATOM 726 N ILE A 47 0.319 -4.396 -6.133 1.00 0.00 N ATOM 727 CA ILE A 47 1.601 -3.806 -5.889 1.00 0.00 C ATOM 728 C ILE A 47 2.610 -4.925 -5.853 1.00 0.00 C ATOM 729 O ILE A 47 2.382 -5.965 -5.236 1.00 0.00 O ATOM 730 CB ILE A 47 1.558 -3.037 -4.578 1.00 0.00 C ATOM 731 CG1 ILE A 47 1.464 -3.985 -3.408 1.00 0.00 C ATOM 732 CG2 ILE A 47 0.325 -2.166 -4.584 1.00 0.00 C ATOM 733 CD1 ILE A 47 1.460 -3.179 -2.108 1.00 0.00 C ATOM 0 H ILE A 47 0.076 -5.119 -5.456 1.00 0.00 H new ATOM 0 HA ILE A 47 1.878 -3.098 -6.670 1.00 0.00 H new ATOM 0 HB ILE A 47 2.466 -2.442 -4.481 1.00 0.00 H new ATOM 0 HG12 ILE A 47 0.556 -4.584 -3.482 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.305 -4.678 -3.418 1.00 0.00 H new ATOM 0 HG21 ILE A 47 0.272 -1.604 -3.652 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.373 -1.473 -5.424 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.562 -2.792 -4.681 1.00 0.00 H new ATOM 0 HD11 ILE A 47 1.392 -3.859 -1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 47 2.380 -2.599 -2.036 1.00 0.00 H new ATOM 0 HD13 ILE A 47 0.605 -2.504 -2.101 1.00 0.00 H new ATOM 745 N THR A 48 3.695 -4.733 -6.544 1.00 0.00 N ATOM 746 CA THR A 48 4.707 -5.747 -6.611 1.00 0.00 C ATOM 747 C THR A 48 5.288 -6.004 -5.240 1.00 0.00 C ATOM 748 O THR A 48 4.860 -5.404 -4.256 1.00 0.00 O ATOM 749 CB THR A 48 5.759 -5.314 -7.605 1.00 0.00 C ATOM 750 OG1 THR A 48 6.536 -6.438 -7.994 1.00 0.00 O ATOM 751 CG2 THR A 48 6.666 -4.239 -7.000 1.00 0.00 C ATOM 0 H THR A 48 3.902 -3.884 -7.069 1.00 0.00 H new ATOM 0 HA THR A 48 4.277 -6.690 -6.950 1.00 0.00 H new ATOM 0 HB THR A 48 5.262 -4.893 -8.479 1.00 0.00 H new ATOM 0 HG1 THR A 48 7.217 -6.157 -8.640 1.00 0.00 H new ATOM 0 HG21 THR A 48 7.416 -3.942 -7.733 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.067 -3.372 -6.722 1.00 0.00 H new ATOM 0 HG23 THR A 48 7.161 -4.637 -6.114 1.00 0.00 H new ATOM 759 N GLU A 49 6.225 -6.925 -5.164 1.00 0.00 N ATOM 760 CA GLU A 49 6.796 -7.276 -3.882 1.00 0.00 C ATOM 761 C GLU A 49 7.481 -6.099 -3.240 1.00 0.00 C ATOM 762 O GLU A 49 7.398 -5.929 -2.034 1.00 0.00 O ATOM 763 CB GLU A 49 7.779 -8.438 -4.034 1.00 0.00 C ATOM 764 CG GLU A 49 7.011 -9.721 -4.359 1.00 0.00 C ATOM 765 CD GLU A 49 7.989 -10.846 -4.686 1.00 0.00 C ATOM 766 OE1 GLU A 49 9.160 -10.552 -4.864 1.00 0.00 O ATOM 767 OE2 GLU A 49 7.553 -11.984 -4.754 1.00 0.00 O ATOM 0 H GLU A 49 6.603 -7.437 -5.961 1.00 0.00 H new ATOM 0 HA GLU A 49 5.978 -7.584 -3.231 1.00 0.00 H new ATOM 0 HB2 GLU A 49 8.495 -8.220 -4.826 1.00 0.00 H new ATOM 0 HB3 GLU A 49 8.350 -8.567 -3.115 1.00 0.00 H new ATOM 0 HG2 GLU A 49 6.387 -10.005 -3.512 1.00 0.00 H new ATOM 0 HG3 GLU A 49 6.344 -9.551 -5.204 1.00 0.00 H new ATOM 774 N GLU A 50 8.179 -5.325 -4.040 1.00 0.00 N ATOM 775 CA GLU A 50 8.906 -4.175 -3.529 1.00 0.00 C ATOM 776 C GLU A 50 7.936 -3.302 -2.731 1.00 0.00 C ATOM 777 O GLU A 50 7.594 -3.656 -1.660 1.00 0.00 O ATOM 778 CB GLU A 50 9.534 -3.407 -4.699 1.00 0.00 C ATOM 779 CG GLU A 50 10.685 -4.223 -5.302 1.00 0.00 C ATOM 780 CD GLU A 50 11.762 -4.474 -4.251 1.00 0.00 C ATOM 781 OE1 GLU A 50 12.162 -3.522 -3.600 1.00 0.00 O ATOM 782 OE2 GLU A 50 12.170 -5.615 -4.112 1.00 0.00 O ATOM 0 H GLU A 50 8.261 -5.467 -5.047 1.00 0.00 H new ATOM 0 HA GLU A 50 9.715 -4.487 -2.868 1.00 0.00 H new ATOM 0 HB2 GLU A 50 8.780 -3.207 -5.461 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.903 -2.441 -4.355 1.00 0.00 H new ATOM 0 HG2 GLU A 50 10.307 -5.173 -5.680 1.00 0.00 H new ATOM 0 HG3 GLU A 50 11.113 -3.689 -6.151 1.00 0.00 H new ATOM 789 N GLN A 51 7.592 -2.142 -3.251 1.00 0.00 N ATOM 790 CA GLN A 51 6.708 -1.154 -2.593 1.00 0.00 C ATOM 791 C GLN A 51 5.830 -1.701 -1.425 1.00 0.00 C ATOM 792 O GLN A 51 5.564 -0.978 -0.470 1.00 0.00 O ATOM 793 CB GLN A 51 5.810 -0.590 -3.667 1.00 0.00 C ATOM 794 CG GLN A 51 5.469 -1.701 -4.655 1.00 0.00 C ATOM 795 CD GLN A 51 4.307 -1.261 -5.529 1.00 0.00 C ATOM 796 OE1 GLN A 51 4.200 -1.727 -6.737 1.00 0.00 O flip ATOM 797 NE2 GLN A 51 3.471 -0.469 -5.097 1.00 0.00 N flip ATOM 0 H GLN A 51 7.919 -1.835 -4.167 1.00 0.00 H new ATOM 0 HA GLN A 51 7.354 -0.412 -2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.900 -0.186 -3.224 1.00 0.00 H new ATOM 0 HB3 GLN A 51 6.307 0.233 -4.181 1.00 0.00 H new ATOM 0 HG2 GLN A 51 6.336 -1.931 -5.273 1.00 0.00 H new ATOM 0 HG3 GLN A 51 5.209 -2.613 -4.118 1.00 0.00 H new ATOM 0 HE21 GLN A 51 3.557 -0.104 -4.148 1.00 0.00 H new ATOM 0 HE22 GLN A 51 2.692 -0.177 -5.687 1.00 0.00 H new ATOM 806 N ALA A 52 5.419 -2.962 -1.494 1.00 0.00 N ATOM 807 CA ALA A 52 4.625 -3.584 -0.441 1.00 0.00 C ATOM 808 C ALA A 52 5.519 -4.064 0.670 1.00 0.00 C ATOM 809 O ALA A 52 5.280 -3.822 1.830 1.00 0.00 O ATOM 810 CB ALA A 52 3.898 -4.723 -1.061 1.00 0.00 C ATOM 0 H ALA A 52 5.626 -3.580 -2.279 1.00 0.00 H new ATOM 0 HA ALA A 52 3.923 -2.872 -0.008 1.00 0.00 H new ATOM 0 HB1 ALA A 52 3.288 -5.220 -0.306 1.00 0.00 H new ATOM 0 HB2 ALA A 52 3.256 -4.353 -1.860 1.00 0.00 H new ATOM 0 HB3 ALA A 52 4.616 -5.433 -1.472 1.00 0.00 H new ATOM 816 N LYS A 53 6.568 -4.700 0.257 1.00 0.00 N ATOM 817 CA LYS A 53 7.565 -5.160 1.182 1.00 0.00 C ATOM 818 C LYS A 53 8.279 -3.923 1.729 1.00 0.00 C ATOM 819 O LYS A 53 8.568 -3.789 2.914 1.00 0.00 O ATOM 820 CB LYS A 53 8.561 -6.083 0.532 1.00 0.00 C ATOM 821 CG LYS A 53 9.440 -6.603 1.639 1.00 0.00 C ATOM 822 CD LYS A 53 10.444 -7.613 1.085 1.00 0.00 C ATOM 823 CE LYS A 53 11.326 -8.132 2.222 1.00 0.00 C ATOM 824 NZ LYS A 53 12.296 -9.128 1.682 1.00 0.00 N ATOM 0 H LYS A 53 6.761 -4.916 -0.721 1.00 0.00 H new ATOM 0 HA LYS A 53 7.085 -5.731 1.977 1.00 0.00 H new ATOM 0 HB2 LYS A 53 8.056 -6.902 0.020 1.00 0.00 H new ATOM 0 HB3 LYS A 53 9.151 -5.554 -0.217 1.00 0.00 H new ATOM 0 HG2 LYS A 53 9.969 -5.776 2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.828 -7.073 2.409 1.00 0.00 H new ATOM 0 HD2 LYS A 53 9.918 -8.442 0.611 1.00 0.00 H new ATOM 0 HD3 LYS A 53 11.060 -7.145 0.317 1.00 0.00 H new ATOM 0 HE2 LYS A 53 11.860 -7.305 2.689 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.709 -8.591 2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 12.896 -9.482 2.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 11.777 -9.922 1.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.892 -8.676 0.959 1.00 0.00 H new ATOM 838 N ALA A 54 8.513 -3.021 0.808 1.00 0.00 N ATOM 839 CA ALA A 54 9.137 -1.754 1.105 1.00 0.00 C ATOM 840 C ALA A 54 8.239 -1.003 2.066 1.00 0.00 C ATOM 841 O ALA A 54 8.717 -0.337 2.966 1.00 0.00 O ATOM 842 CB ALA A 54 9.365 -0.939 -0.176 1.00 0.00 C ATOM 0 H ALA A 54 8.274 -3.146 -0.176 1.00 0.00 H new ATOM 0 HA ALA A 54 10.115 -1.920 1.557 1.00 0.00 H new ATOM 0 HB1 ALA A 54 9.836 0.011 0.076 1.00 0.00 H new ATOM 0 HB2 ALA A 54 10.013 -1.497 -0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 54 8.408 -0.751 -0.663 1.00 0.00 H new ATOM 848 N TYR A 55 6.922 -1.118 1.889 1.00 0.00 N ATOM 849 CA TYR A 55 6.033 -0.430 2.807 1.00 0.00 C ATOM 850 C TYR A 55 5.798 -1.285 4.029 1.00 0.00 C ATOM 851 O TYR A 55 5.407 -0.781 5.079 1.00 0.00 O ATOM 852 CB TYR A 55 4.730 -0.005 2.148 1.00 0.00 C ATOM 853 CG TYR A 55 3.792 0.587 3.193 1.00 0.00 C ATOM 854 CD1 TYR A 55 4.164 1.711 3.929 1.00 0.00 C ATOM 855 CD2 TYR A 55 2.568 -0.007 3.433 1.00 0.00 C ATOM 856 CE1 TYR A 55 3.310 2.223 4.917 1.00 0.00 C ATOM 857 CE2 TYR A 55 1.708 0.505 4.411 1.00 0.00 C ATOM 858 CZ TYR A 55 2.081 1.616 5.156 1.00 0.00 C ATOM 859 OH TYR A 55 1.238 2.111 6.130 1.00 0.00 O ATOM 0 H TYR A 55 6.469 -1.657 1.151 1.00 0.00 H new ATOM 0 HA TYR A 55 6.519 0.495 3.119 1.00 0.00 H new ATOM 0 HB2 TYR A 55 4.929 0.729 1.367 1.00 0.00 H new ATOM 0 HB3 TYR A 55 4.259 -0.862 1.667 1.00 0.00 H new ATOM 0 HD1 TYR A 55 5.113 2.189 3.738 1.00 0.00 H new ATOM 0 HD2 TYR A 55 2.272 -0.874 2.861 1.00 0.00 H new ATOM 0 HE1 TYR A 55 3.606 3.088 5.492 1.00 0.00 H new ATOM 0 HE2 TYR A 55 0.752 0.035 4.587 1.00 0.00 H new ATOM 0 HH TYR A 55 1.421 3.064 6.268 1.00 0.00 H new ATOM 869 N LYS A 56 6.107 -2.579 3.918 1.00 0.00 N ATOM 870 CA LYS A 56 5.988 -3.437 5.053 1.00 0.00 C ATOM 871 C LYS A 56 6.954 -2.896 6.046 1.00 0.00 C ATOM 872 O LYS A 56 6.637 -2.710 7.205 1.00 0.00 O ATOM 873 CB LYS A 56 6.361 -4.887 4.705 1.00 0.00 C ATOM 874 CG LYS A 56 5.120 -5.712 4.342 1.00 0.00 C ATOM 875 CD LYS A 56 5.533 -7.159 4.050 1.00 0.00 C ATOM 876 CE LYS A 56 5.935 -7.857 5.353 1.00 0.00 C ATOM 877 NZ LYS A 56 6.240 -9.289 5.074 1.00 0.00 N ATOM 0 H LYS A 56 6.433 -3.030 3.063 1.00 0.00 H new ATOM 0 HA LYS A 56 4.963 -3.459 5.424 1.00 0.00 H new ATOM 0 HB2 LYS A 56 7.061 -4.894 3.870 1.00 0.00 H new ATOM 0 HB3 LYS A 56 6.870 -5.347 5.552 1.00 0.00 H new ATOM 0 HG2 LYS A 56 4.401 -5.686 5.161 1.00 0.00 H new ATOM 0 HG3 LYS A 56 4.626 -5.281 3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 56 4.708 -7.694 3.579 1.00 0.00 H new ATOM 0 HD3 LYS A 56 6.366 -7.174 3.347 1.00 0.00 H new ATOM 0 HE2 LYS A 56 6.806 -7.366 5.788 1.00 0.00 H new ATOM 0 HE3 LYS A 56 5.129 -7.781 6.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.513 -9.764 5.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 5.398 -9.753 4.678 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 7.022 -9.351 4.392 1.00 0.00 H new ATOM 891 N GLU A 57 8.164 -2.648 5.552 1.00 0.00 N ATOM 892 CA GLU A 57 9.230 -2.113 6.354 1.00 0.00 C ATOM 893 C GLU A 57 9.079 -0.604 6.581 1.00 0.00 C ATOM 894 O GLU A 57 9.623 -0.065 7.529 1.00 0.00 O ATOM 895 CB GLU A 57 10.557 -2.426 5.674 1.00 0.00 C ATOM 896 CG GLU A 57 10.652 -1.733 4.326 1.00 0.00 C ATOM 897 CD GLU A 57 12.001 -2.033 3.681 1.00 0.00 C ATOM 898 OE1 GLU A 57 12.781 -2.745 4.290 1.00 0.00 O ATOM 899 OE2 GLU A 57 12.232 -1.548 2.586 1.00 0.00 O ATOM 0 H GLU A 57 8.421 -2.817 4.580 1.00 0.00 H new ATOM 0 HA GLU A 57 9.195 -2.580 7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 57 11.381 -2.105 6.311 1.00 0.00 H new ATOM 0 HB3 GLU A 57 10.657 -3.503 5.541 1.00 0.00 H new ATOM 0 HG2 GLU A 57 9.845 -2.071 3.676 1.00 0.00 H new ATOM 0 HG3 GLU A 57 10.530 -0.657 4.451 1.00 0.00 H new ATOM 906 N TYR A 58 8.290 0.077 5.760 1.00 0.00 N ATOM 907 CA TYR A 58 8.085 1.497 6.016 1.00 0.00 C ATOM 908 C TYR A 58 7.180 1.627 7.225 1.00 0.00 C ATOM 909 O TYR A 58 7.368 2.484 8.075 1.00 0.00 O ATOM 910 CB TYR A 58 7.460 2.245 4.828 1.00 0.00 C ATOM 911 CG TYR A 58 8.417 2.296 3.642 1.00 0.00 C ATOM 912 CD1 TYR A 58 7.912 2.507 2.350 1.00 0.00 C ATOM 913 CD2 TYR A 58 9.802 2.134 3.826 1.00 0.00 C ATOM 914 CE1 TYR A 58 8.780 2.555 1.253 1.00 0.00 C ATOM 915 CE2 TYR A 58 10.667 2.184 2.726 1.00 0.00 C ATOM 916 CZ TYR A 58 10.157 2.393 1.442 1.00 0.00 C ATOM 917 OH TYR A 58 11.011 2.442 0.359 1.00 0.00 O ATOM 0 H TYR A 58 7.803 -0.306 4.950 1.00 0.00 H new ATOM 0 HA TYR A 58 9.061 1.951 6.187 1.00 0.00 H new ATOM 0 HB2 TYR A 58 6.535 1.752 4.531 1.00 0.00 H new ATOM 0 HB3 TYR A 58 7.198 3.259 5.131 1.00 0.00 H new ATOM 0 HD1 TYR A 58 6.850 2.633 2.201 1.00 0.00 H new ATOM 0 HD2 TYR A 58 10.199 1.971 4.817 1.00 0.00 H new ATOM 0 HE1 TYR A 58 8.387 2.717 0.260 1.00 0.00 H new ATOM 0 HE2 TYR A 58 11.730 2.061 2.870 1.00 0.00 H new ATOM 0 HH TYR A 58 11.933 2.313 0.664 1.00 0.00 H new ATOM 927 N HIS A 59 6.199 0.731 7.268 1.00 0.00 N ATOM 928 CA HIS A 59 5.210 0.643 8.333 1.00 0.00 C ATOM 929 C HIS A 59 5.724 -0.111 9.572 1.00 0.00 C ATOM 930 O HIS A 59 5.394 0.247 10.696 1.00 0.00 O ATOM 931 CB HIS A 59 3.966 -0.062 7.791 1.00 0.00 C ATOM 932 CG HIS A 59 2.889 -0.091 8.838 1.00 0.00 C ATOM 933 ND1 HIS A 59 2.221 1.055 9.242 1.00 0.00 N ATOM 934 CD2 HIS A 59 2.329 -1.121 9.550 1.00 0.00 C ATOM 935 CE1 HIS A 59 1.306 0.689 10.157 1.00 0.00 C ATOM 936 NE2 HIS A 59 1.330 -0.628 10.381 1.00 0.00 N ATOM 0 H HIS A 59 6.068 0.027 6.542 1.00 0.00 H new ATOM 0 HA HIS A 59 4.982 1.660 8.653 1.00 0.00 H new ATOM 0 HB2 HIS A 59 3.605 0.454 6.902 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.218 -1.079 7.489 1.00 0.00 H new ATOM 0 HD2 HIS A 59 2.620 -2.158 9.476 1.00 0.00 H new ATOM 0 HE1 HIS A 59 0.634 1.376 10.650 1.00 0.00 H new ATOM 0 HE2 HIS A 59 0.741 -1.158 11.024 1.00 0.00 H new ATOM 945 N ASP A 60 6.501 -1.186 9.353 1.00 0.00 N ATOM 946 CA ASP A 60 7.018 -2.000 10.445 1.00 0.00 C ATOM 947 C ASP A 60 8.063 -1.243 11.200 1.00 0.00 C ATOM 948 O ASP A 60 8.016 -1.146 12.425 1.00 0.00 O ATOM 949 CB ASP A 60 7.618 -3.294 9.889 1.00 0.00 C ATOM 950 CG ASP A 60 8.024 -4.221 11.031 1.00 0.00 C ATOM 951 OD1 ASP A 60 7.978 -3.786 12.169 1.00 0.00 O ATOM 952 OD2 ASP A 60 8.378 -5.354 10.748 1.00 0.00 O ATOM 0 H ASP A 60 6.780 -1.504 8.425 1.00 0.00 H new ATOM 0 HA ASP A 60 6.199 -2.245 11.121 1.00 0.00 H new ATOM 0 HB2 ASP A 60 6.892 -3.793 9.247 1.00 0.00 H new ATOM 0 HB3 ASP A 60 8.486 -3.065 9.271 1.00 0.00 H new ATOM 957 N LYS A 61 9.011 -0.684 10.463 1.00 0.00 N ATOM 958 CA LYS A 61 10.046 0.077 11.104 1.00 0.00 C ATOM 959 C LYS A 61 9.372 1.211 11.813 1.00 0.00 C ATOM 960 O LYS A 61 9.713 1.575 12.937 1.00 0.00 O ATOM 961 CB LYS A 61 11.026 0.618 10.076 1.00 0.00 C ATOM 962 CG LYS A 61 11.651 -0.553 9.345 1.00 0.00 C ATOM 963 CD LYS A 61 12.529 -1.370 10.298 1.00 0.00 C ATOM 964 CE LYS A 61 13.281 -2.436 9.501 1.00 0.00 C ATOM 965 NZ LYS A 61 12.307 -3.392 8.903 1.00 0.00 N ATOM 0 H LYS A 61 9.077 -0.746 9.447 1.00 0.00 H new ATOM 0 HA LYS A 61 10.609 -0.547 11.799 1.00 0.00 H new ATOM 0 HB2 LYS A 61 10.513 1.274 9.372 1.00 0.00 H new ATOM 0 HB3 LYS A 61 11.796 1.215 10.564 1.00 0.00 H new ATOM 0 HG2 LYS A 61 10.870 -1.187 8.926 1.00 0.00 H new ATOM 0 HG3 LYS A 61 12.250 -0.191 8.509 1.00 0.00 H new ATOM 0 HD2 LYS A 61 13.235 -0.717 10.811 1.00 0.00 H new ATOM 0 HD3 LYS A 61 11.914 -1.840 11.066 1.00 0.00 H new ATOM 0 HE2 LYS A 61 13.874 -1.967 8.716 1.00 0.00 H new ATOM 0 HE3 LYS A 61 13.976 -2.968 10.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 12.608 -4.367 9.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 11.365 -3.229 9.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 12.267 -3.249 7.874 1.00 0.00 H new ATOM 979 N ASN A 62 8.367 1.724 11.139 1.00 0.00 N ATOM 980 CA ASN A 62 7.558 2.776 11.659 1.00 0.00 C ATOM 981 C ASN A 62 6.861 2.318 12.944 1.00 0.00 C ATOM 982 O ASN A 62 6.729 3.077 13.904 1.00 0.00 O ATOM 983 CB ASN A 62 6.547 3.150 10.608 1.00 0.00 C ATOM 984 CG ASN A 62 5.338 3.830 11.239 1.00 0.00 C ATOM 985 OD1 ASN A 62 4.331 3.178 11.511 1.00 0.00 O ATOM 986 ND2 ASN A 62 5.378 5.110 11.492 1.00 0.00 N ATOM 0 H ASN A 62 8.095 1.412 10.207 1.00 0.00 H new ATOM 0 HA ASN A 62 8.172 3.642 11.905 1.00 0.00 H new ATOM 0 HB2 ASN A 62 7.005 3.817 9.877 1.00 0.00 H new ATOM 0 HB3 ASN A 62 6.228 2.258 10.069 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.573 5.571 11.916 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.214 5.649 11.266 1.00 0.00 H new ATOM 993 N GLY A 63 6.419 1.056 12.938 1.00 0.00 N ATOM 994 CA GLY A 63 5.732 0.466 14.088 1.00 0.00 C ATOM 995 C GLY A 63 4.307 0.051 13.715 1.00 0.00 C ATOM 996 O GLY A 63 3.454 0.902 13.462 1.00 0.00 O ATOM 0 H GLY A 63 6.526 0.423 12.146 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.287 -0.402 14.443 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.704 1.184 14.908 1.00 0.00 H new ATOM 1000 N GLY A 64 4.052 -1.263 13.682 1.00 0.00 N ATOM 1001 CA GLY A 64 2.716 -1.757 13.337 1.00 0.00 C ATOM 1002 C GLY A 64 2.712 -3.267 13.052 1.00 0.00 C ATOM 1003 O GLY A 64 3.701 -3.960 13.286 1.00 0.00 O ATOM 0 H GLY A 64 4.739 -1.989 13.886 1.00 0.00 H new ATOM 0 HA2 GLY A 64 2.028 -1.541 14.155 1.00 0.00 H new ATOM 0 HA3 GLY A 64 2.348 -1.223 12.461 1.00 0.00 H new ATOM 1007 N ALA A 65 1.575 -3.756 12.545 1.00 0.00 N ATOM 1008 CA ALA A 65 1.410 -5.179 12.221 1.00 0.00 C ATOM 1009 C ALA A 65 0.644 -5.326 10.890 1.00 0.00 C ATOM 1010 O ALA A 65 0.853 -4.533 9.978 1.00 0.00 O ATOM 1011 CB ALA A 65 0.650 -5.873 13.358 1.00 0.00 C ATOM 0 H ALA A 65 0.752 -3.186 12.349 1.00 0.00 H new ATOM 0 HA ALA A 65 2.388 -5.647 12.111 1.00 0.00 H new ATOM 0 HB1 ALA A 65 0.526 -6.930 13.121 1.00 0.00 H new ATOM 0 HB2 ALA A 65 1.213 -5.773 14.286 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -0.330 -5.410 13.476 1.00 0.00 H new ATOM 1017 N ASN A 66 -0.246 -6.340 10.786 1.00 0.00 N ATOM 1018 CA ASN A 66 -1.040 -6.553 9.557 1.00 0.00 C ATOM 1019 C ASN A 66 -1.689 -5.260 9.099 1.00 0.00 C ATOM 1020 O ASN A 66 -1.552 -4.208 9.720 1.00 0.00 O ATOM 1021 CB ASN A 66 -2.172 -7.562 9.805 1.00 0.00 C ATOM 1022 CG ASN A 66 -2.628 -7.486 11.258 1.00 0.00 C ATOM 1023 OD1 ASN A 66 -2.047 -8.136 12.126 1.00 0.00 O ATOM 1024 ND2 ASN A 66 -3.624 -6.711 11.579 1.00 0.00 N ATOM 0 H ASN A 66 -0.430 -7.015 11.529 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.351 -6.926 8.799 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -3.010 -7.352 9.141 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.828 -8.571 9.575 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -3.924 -6.642 12.552 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -4.104 -6.173 10.858 1.00 0.00 H new ATOM 1031 N ARG A 67 -2.399 -5.383 8.001 1.00 0.00 N ATOM 1032 CA ARG A 67 -3.114 -4.293 7.379 1.00 0.00 C ATOM 1033 C ARG A 67 -2.211 -3.431 6.616 1.00 0.00 C ATOM 1034 O ARG A 67 -2.435 -3.239 5.436 1.00 0.00 O ATOM 1035 CB ARG A 67 -3.915 -3.429 8.364 1.00 0.00 C ATOM 1036 CG ARG A 67 -3.711 -1.906 8.101 1.00 0.00 C ATOM 1037 CD ARG A 67 -5.008 -1.173 8.343 1.00 0.00 C ATOM 1038 NE ARG A 67 -5.639 -1.694 9.553 1.00 0.00 N ATOM 1039 CZ ARG A 67 -6.678 -1.083 10.128 1.00 0.00 C ATOM 1040 NH1 ARG A 67 -7.144 0.039 9.642 1.00 0.00 N ATOM 1041 NH2 ARG A 67 -7.234 -1.608 11.185 1.00 0.00 N ATOM 0 H ARG A 67 -2.498 -6.268 7.503 1.00 0.00 H new ATOM 0 HA ARG A 67 -3.829 -4.774 6.712 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -4.974 -3.673 8.282 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -3.611 -3.665 9.384 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.933 -1.515 8.756 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -3.376 -1.745 7.076 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -4.821 -0.104 8.448 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -5.674 -1.298 7.489 1.00 0.00 H new ATOM 0 HE ARG A 67 -5.275 -2.550 9.971 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -6.713 0.455 8.816 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -7.938 0.498 10.089 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -6.875 -2.482 11.569 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -8.028 -1.144 11.627 1.00 0.00 H new ATOM 1055 N LYS A 68 -1.198 -2.894 7.306 1.00 0.00 N ATOM 1056 CA LYS A 68 -0.229 -1.992 6.710 1.00 0.00 C ATOM 1057 C LYS A 68 -0.954 -0.962 5.893 1.00 0.00 C ATOM 1058 O LYS A 68 -1.103 0.182 6.325 1.00 0.00 O ATOM 1059 CB LYS A 68 0.786 -2.709 5.830 1.00 0.00 C ATOM 1060 CG LYS A 68 0.475 -4.196 5.688 1.00 0.00 C ATOM 1061 CD LYS A 68 0.763 -4.965 6.994 1.00 0.00 C ATOM 1062 CE LYS A 68 2.271 -5.010 7.253 1.00 0.00 C ATOM 1063 NZ LYS A 68 2.545 -5.872 8.437 1.00 0.00 N ATOM 0 H LYS A 68 -1.034 -3.079 8.296 1.00 0.00 H new ATOM 0 HA LYS A 68 0.325 -1.527 7.525 1.00 0.00 H new ATOM 0 HB2 LYS A 68 0.800 -2.246 4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 68 1.783 -2.587 6.254 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -0.572 -4.324 5.413 1.00 0.00 H new ATOM 0 HG3 LYS A 68 1.071 -4.617 4.878 1.00 0.00 H new ATOM 0 HD2 LYS A 68 0.256 -4.482 7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 68 0.367 -5.978 6.924 1.00 0.00 H new ATOM 0 HE2 LYS A 68 2.790 -5.400 6.377 1.00 0.00 H new ATOM 0 HE3 LYS A 68 2.651 -4.003 7.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 3.533 -6.195 8.410 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 2.382 -5.328 9.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 1.911 -6.696 8.420 1.00 0.00 H new ATOM 1077 N VAL A 69 -1.448 -1.363 4.722 1.00 0.00 N ATOM 1078 CA VAL A 69 -2.180 -0.454 3.920 1.00 0.00 C ATOM 1079 C VAL A 69 -3.660 -0.703 4.120 1.00 0.00 C ATOM 1080 O VAL A 69 -4.039 -1.351 5.077 1.00 0.00 O ATOM 1081 CB VAL A 69 -1.811 -0.607 2.450 1.00 0.00 C ATOM 1082 CG1 VAL A 69 -0.351 -0.261 2.249 1.00 0.00 C ATOM 1083 CG2 VAL A 69 -2.031 -2.049 2.035 1.00 0.00 C ATOM 0 H VAL A 69 -1.344 -2.301 4.334 1.00 0.00 H new ATOM 0 HA VAL A 69 -1.935 0.565 4.220 1.00 0.00 H new ATOM 0 HB VAL A 69 -2.430 0.060 1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -0.092 -0.372 1.196 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -0.175 0.769 2.559 1.00 0.00 H new ATOM 0 HG13 VAL A 69 0.267 -0.931 2.847 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -1.770 -2.169 0.984 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -1.404 -2.702 2.642 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -3.078 -2.314 2.181 1.00 0.00 H new ATOM 1093 N ASN A 70 -4.509 -0.218 3.222 1.00 0.00 N ATOM 1094 CA ASN A 70 -5.935 -0.482 3.374 1.00 0.00 C ATOM 1095 C ASN A 70 -6.447 0.032 4.731 1.00 0.00 C ATOM 1096 O ASN A 70 -5.815 0.895 5.338 1.00 0.00 O ATOM 1097 CB ASN A 70 -6.117 -1.990 3.265 1.00 0.00 C ATOM 1098 CG ASN A 70 -6.350 -2.429 1.840 1.00 0.00 C ATOM 1099 OD1 ASN A 70 -7.441 -2.258 1.304 1.00 0.00 O ATOM 1100 ND2 ASN A 70 -5.392 -3.047 1.216 1.00 0.00 N ATOM 0 H ASN A 70 -4.249 0.340 2.409 1.00 0.00 H new ATOM 0 HA ASN A 70 -6.508 0.036 2.605 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -5.233 -2.491 3.659 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -6.961 -2.299 3.882 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.542 -3.396 0.270 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.490 -3.183 1.673 1.00 0.00 H new ATOM 1107 N ASP A 71 -7.594 -0.498 5.205 1.00 0.00 N ATOM 1108 CA ASP A 71 -8.153 -0.064 6.479 1.00 0.00 C ATOM 1109 C ASP A 71 -9.506 -0.726 6.723 1.00 0.00 C ATOM 1110 O ASP A 71 -9.531 -1.751 7.386 1.00 0.00 O ATOM 1111 CB ASP A 71 -8.320 1.460 6.486 1.00 0.00 C ATOM 1112 CG ASP A 71 -9.276 1.878 7.599 1.00 0.00 C ATOM 1113 OD1 ASP A 71 -8.877 1.820 8.749 1.00 0.00 O ATOM 1114 OD2 ASP A 71 -10.395 2.250 7.282 1.00 0.00 O ATOM 1115 OXT ASP A 71 -10.497 -0.200 6.244 1.00 0.00 O ATOM 0 H ASP A 71 -8.136 -1.216 4.725 1.00 0.00 H new ATOM 0 HA ASP A 71 -7.468 -0.358 7.274 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -7.351 1.939 6.629 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -8.703 1.796 5.522 1.00 0.00 H new TER 1120 ASP A 71