USER MOD reduce.3.24.130724 H: found=0, std=0, add=1043, rem=0, adj=37 USER MOD reduce.3.24.130724 removed 1046 hydrogens (13 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 NoAdj-H: B 204 PTR HN2 : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD NoAdj-H: B 204 PTR H : B 204 PTR N : B 203 GLU C :(H bumps) USER MOD Set 1.1: A 73 THR OG1 : rot 70:sc= 1.91 USER MOD Set 1.2: A 98 SER OG : rot 115:sc= 1.48 USER MOD Set 2.1: A 2 ASN :FLIP amide:sc= -0.0762 F(o=-3.9,f=-2.3) USER MOD Set 2.2: A 62 HIS : no HD1:sc= -2.23! K(o=-2.3!,f=-3.6) USER MOD Set 3.1: A 20 SER OG : rot 90:sc= -1.89 USER MOD Set 3.2: A 35 LYS NZ :NH3+ -139:sc= -0.216 (180deg=-1.48) USER MOD Set 4.1: A 26 LYS NZ :NH3+ -109:sc= -2.5! (180deg=-4.39!) USER MOD Set 4.2: A 30 ASN :FLIP amide:sc= -1.26! C(o=-10!,f=-3.8!) USER MOD Set 5.1: A 9 HIS :FLIP no HE2:sc= -6.7! C(o=-9.9!,f=-7.8!) USER MOD Set 5.2: A 13 SER OG : rot 69:sc= -1.08 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= -0.244 (180deg=-1.08) USER MOD Single : A 4 SER OG : rot 161:sc= -0.0645 USER MOD Single : A 6 SER OG : rot 140:sc= -3.35 USER MOD Single : A 11 GLN : amide:sc= -9.33! C(o=-9.3!,f=-9.2!) USER MOD Single : A 17 GLN : amide:sc= 0 X(o=0,f=-0.0021) USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 CYS SG : rot 120:sc= -2.88 USER MOD Single : A 24 THR OG1 : rot 35:sc= -4.61! USER MOD Single : A 34 ASN : amide:sc= -1.53 X(o=-1.5,f=-1.6) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.468! USER MOD Single : A 40 GLN : amide:sc= -2.2! C(o=-2.2!,f=-2!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.25 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot 112:sc= -0.146 USER MOD Single : A 53 LYS NZ :NH3+ -121:sc= -1.22 (180deg=-2.65!) USER MOD Single : A 57 GLN : amide:sc= -0.228 X(o=-0.23,f=0) USER MOD Single : A 58 THR OG1 : rot 87:sc= -1.06! USER MOD Single : A 61 SER OG : rot 64:sc= 1.15 USER MOD Single : A 65 ASN :FLIP amide:sc= -1.14 F(o=-1.9!,f=-1.1) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 GLN : amide:sc= -1.37! C(o=-1.4!,f=-1.7!) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 79 SER OG : rot -121:sc= -0.56 USER MOD Single : A 80 THR OG1 : rot 57:sc= -0.666 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -0.129 X(o=-0.13,f=-0.14) USER MOD Single : A 84 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 86 ASN : amide:sc= -0.268 K(o=-0.27,f=-2.7!) USER MOD Single : A 87 ASN : amide:sc= -0.577 K(o=-0.58,f=-6.7!) USER MOD Single : A 88 TYR OH : rot 165:sc= -2.46! USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -0.761 X(o=-0.76,f=-1.2) USER MOD Single : A 97 ASN :FLIP amide:sc= -3.05 F(o=-6.6!,f=-3) USER MOD Single : A 102 SER OG : rot 171:sc= 1.01 USER MOD Single : A 105 SER OG : rot 77:sc= 1.11 USER MOD Single : A 107 GLN :FLIP amide:sc= -10.3! C(o=-17!,f=-10!) USER MOD Single : A 108 MET CE :methyl 156:sc= -15! (180deg=-19!) USER MOD Single : A 109 THR OG1 : rot -127:sc= 1.28 USER MOD Single : A 111 GLN :FLIP amide:sc= -0.642 F(o=-1.5!,f=-0.64) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= -7.41! (180deg=-7.41!) USER MOD Single : A 123 GLN : amide:sc= -0.645 K(o=-0.65,f=-3.9!) USER MOD Single : A 125 SER OG : rot -110:sc= -1.69 USER MOD Single : A 130 SER OG : rot -35:sc= 1.07 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.611 7.096 -11.893 1.00 0.00 N ATOM 2 CA MET A 1 -4.946 8.362 -11.482 1.00 0.00 C ATOM 3 C MET A 1 -4.438 8.276 -10.046 1.00 0.00 C ATOM 4 O MET A 1 -5.116 7.744 -9.167 1.00 0.00 O ATOM 5 CB MET A 1 -5.948 9.510 -11.622 1.00 0.00 C ATOM 6 CG MET A 1 -7.228 9.304 -10.827 1.00 0.00 C ATOM 7 SD MET A 1 -8.705 9.770 -11.752 1.00 0.00 S ATOM 8 CE MET A 1 -9.251 8.171 -12.346 1.00 0.00 C ATOM 0 H1 MET A 1 -6.385 7.309 -12.554 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.919 6.476 -12.359 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.995 6.617 -11.053 1.00 0.00 H new ATOM 0 HA MET A 1 -4.084 8.538 -12.125 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.474 10.436 -11.297 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.201 9.634 -12.675 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.304 8.257 -10.533 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.179 9.890 -9.909 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.158 8.293 -12.938 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.471 7.727 -12.965 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.456 7.518 -11.497 1.00 0.00 H new ATOM 20 N ASN A 2 -3.240 8.803 -9.816 1.00 0.00 N ATOM 21 CA ASN A 2 -2.639 8.786 -8.487 1.00 0.00 C ATOM 22 C ASN A 2 -1.814 10.050 -8.249 1.00 0.00 C ATOM 23 O ASN A 2 -1.953 11.037 -8.971 1.00 0.00 O ATOM 24 CB ASN A 2 -1.762 7.541 -8.321 1.00 0.00 C ATOM 25 CG ASN A 2 -0.498 7.601 -9.160 1.00 0.00 C ATOM 26 OD1 ASN A 2 0.614 7.970 -8.534 1.00 0.00 O flip ATOM 27 ND2 ASN A 2 -0.521 7.318 -10.358 1.00 0.00 N flip ATOM 0 H ASN A 2 -2.666 9.247 -10.533 1.00 0.00 H new ATOM 0 HA ASN A 2 -3.439 8.756 -7.748 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -1.492 7.429 -7.271 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -2.336 6.657 -8.598 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.397 7.039 -10.799 1.00 0.00 H new ATOM 0 HD22 ASN A 2 0.336 7.362 -10.909 1.00 0.00 H new ATOM 34 N LEU A 3 -0.951 10.012 -7.236 1.00 0.00 N ATOM 35 CA LEU A 3 -0.108 11.150 -6.913 1.00 0.00 C ATOM 36 C LEU A 3 1.312 10.705 -6.562 1.00 0.00 C ATOM 37 O LEU A 3 1.572 10.214 -5.470 1.00 0.00 O ATOM 38 CB LEU A 3 -0.724 11.989 -5.777 1.00 0.00 C ATOM 39 CG LEU A 3 -0.883 11.322 -4.400 1.00 0.00 C ATOM 40 CD1 LEU A 3 -1.434 9.914 -4.524 1.00 0.00 C ATOM 41 CD2 LEU A 3 0.435 11.328 -3.635 1.00 0.00 C ATOM 0 H LEU A 3 -0.821 9.204 -6.628 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.047 11.781 -7.800 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -0.111 12.881 -5.649 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.709 12.323 -6.103 1.00 0.00 H new ATOM 0 HG LEU A 3 -1.606 11.908 -3.833 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -1.533 9.473 -3.532 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -2.411 9.947 -5.006 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.754 9.309 -5.124 1.00 0.00 H new ATOM 0 HD21 LEU A 3 0.295 10.851 -2.665 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.188 10.782 -4.203 1.00 0.00 H new ATOM 0 HD23 LEU A 3 0.766 12.356 -3.489 1.00 0.00 H new ATOM 53 N SER A 4 2.228 10.888 -7.513 1.00 0.00 N ATOM 54 CA SER A 4 3.636 10.525 -7.342 1.00 0.00 C ATOM 55 C SER A 4 3.822 9.199 -6.603 1.00 0.00 C ATOM 56 O SER A 4 2.869 8.584 -6.130 1.00 0.00 O ATOM 57 CB SER A 4 4.377 11.639 -6.597 1.00 0.00 C ATOM 58 OG SER A 4 3.507 12.713 -6.283 1.00 0.00 O ATOM 0 H SER A 4 2.015 11.292 -8.425 1.00 0.00 H new ATOM 0 HA SER A 4 4.053 10.398 -8.341 1.00 0.00 H new ATOM 0 HB2 SER A 4 4.812 11.240 -5.681 1.00 0.00 H new ATOM 0 HB3 SER A 4 5.202 12.003 -7.209 1.00 0.00 H new ATOM 0 HG SER A 4 3.899 13.253 -5.565 1.00 0.00 H new ATOM 64 N LEU A 5 5.072 8.771 -6.509 1.00 0.00 N ATOM 65 CA LEU A 5 5.406 7.531 -5.820 1.00 0.00 C ATOM 66 C LEU A 5 5.825 7.809 -4.385 1.00 0.00 C ATOM 67 O LEU A 5 5.162 7.409 -3.429 1.00 0.00 O ATOM 68 CB LEU A 5 6.549 6.810 -6.535 1.00 0.00 C ATOM 69 CG LEU A 5 6.378 5.312 -6.640 1.00 0.00 C ATOM 70 CD1 LEU A 5 6.948 4.788 -7.947 1.00 0.00 C ATOM 71 CD2 LEU A 5 7.019 4.608 -5.456 1.00 0.00 C ATOM 0 H LEU A 5 5.874 9.264 -6.902 1.00 0.00 H new ATOM 0 HA LEU A 5 4.516 6.901 -5.824 1.00 0.00 H new ATOM 0 HB2 LEU A 5 6.650 7.222 -7.539 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.480 7.021 -6.009 1.00 0.00 H new ATOM 0 HG LEU A 5 5.309 5.097 -6.626 1.00 0.00 H new ATOM 0 HD11 LEU A 5 6.812 3.708 -7.996 1.00 0.00 H new ATOM 0 HD12 LEU A 5 6.431 5.258 -8.784 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.011 5.022 -8.000 1.00 0.00 H new ATOM 0 HD21 LEU A 5 6.882 3.531 -5.555 1.00 0.00 H new ATOM 0 HD22 LEU A 5 8.084 4.837 -5.429 1.00 0.00 H new ATOM 0 HD23 LEU A 5 6.551 4.950 -4.533 1.00 0.00 H new ATOM 83 N SER A 6 6.950 8.492 -4.261 1.00 0.00 N ATOM 84 CA SER A 6 7.517 8.835 -2.973 1.00 0.00 C ATOM 85 C SER A 6 6.562 9.696 -2.146 1.00 0.00 C ATOM 86 O SER A 6 6.519 9.579 -0.922 1.00 0.00 O ATOM 87 CB SER A 6 8.844 9.540 -3.215 1.00 0.00 C ATOM 88 OG SER A 6 8.717 10.948 -3.106 1.00 0.00 O ATOM 0 H SER A 6 7.496 8.825 -5.056 1.00 0.00 H new ATOM 0 HA SER A 6 7.683 7.929 -2.391 1.00 0.00 H new ATOM 0 HB2 SER A 6 9.582 9.184 -2.496 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.217 9.284 -4.207 1.00 0.00 H new ATOM 0 HG SER A 6 9.500 11.312 -2.642 1.00 0.00 H new ATOM 94 N ASP A 7 5.778 10.540 -2.814 1.00 0.00 N ATOM 95 CA ASP A 7 4.815 11.382 -2.114 1.00 0.00 C ATOM 96 C ASP A 7 3.758 10.499 -1.477 1.00 0.00 C ATOM 97 O ASP A 7 3.464 10.607 -0.286 1.00 0.00 O ATOM 98 CB ASP A 7 4.151 12.372 -3.078 1.00 0.00 C ATOM 99 CG ASP A 7 5.034 13.565 -3.388 1.00 0.00 C ATOM 100 OD1 ASP A 7 6.156 13.633 -2.842 1.00 0.00 O ATOM 101 OD2 ASP A 7 4.603 14.433 -4.176 1.00 0.00 O ATOM 0 H ASP A 7 5.791 10.657 -3.827 1.00 0.00 H new ATOM 0 HA ASP A 7 5.337 11.954 -1.347 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.902 11.858 -4.006 1.00 0.00 H new ATOM 0 HB3 ASP A 7 3.213 12.721 -2.646 1.00 0.00 H new ATOM 106 N LEU A 8 3.207 9.609 -2.291 1.00 0.00 N ATOM 107 CA LEU A 8 2.190 8.672 -1.847 1.00 0.00 C ATOM 108 C LEU A 8 2.682 7.861 -0.654 1.00 0.00 C ATOM 109 O LEU A 8 1.962 7.679 0.327 1.00 0.00 O ATOM 110 CB LEU A 8 1.825 7.743 -2.998 1.00 0.00 C ATOM 111 CG LEU A 8 0.618 6.851 -2.753 1.00 0.00 C ATOM 112 CD1 LEU A 8 -0.658 7.674 -2.775 1.00 0.00 C ATOM 113 CD2 LEU A 8 0.572 5.751 -3.796 1.00 0.00 C ATOM 0 H LEU A 8 3.454 9.518 -3.277 1.00 0.00 H new ATOM 0 HA LEU A 8 1.308 9.231 -1.534 1.00 0.00 H new ATOM 0 HB2 LEU A 8 1.636 8.347 -3.885 1.00 0.00 H new ATOM 0 HB3 LEU A 8 2.685 7.111 -3.220 1.00 0.00 H new ATOM 0 HG LEU A 8 0.706 6.391 -1.769 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.514 7.023 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.614 8.435 -1.996 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.763 8.156 -3.747 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.295 5.115 -3.616 1.00 0.00 H new ATOM 0 HD22 LEU A 8 0.497 6.194 -4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 8 1.481 5.152 -3.734 1.00 0.00 H new ATOM 125 N HIS A 9 3.919 7.385 -0.742 1.00 0.00 N ATOM 126 CA HIS A 9 4.512 6.608 0.339 1.00 0.00 C ATOM 127 C HIS A 9 4.667 7.473 1.575 1.00 0.00 C ATOM 128 O HIS A 9 4.424 7.038 2.700 1.00 0.00 O ATOM 129 CB HIS A 9 5.888 6.089 -0.068 1.00 0.00 C ATOM 130 CG HIS A 9 6.548 5.273 1.000 1.00 0.00 C ATOM 131 ND1 HIS A 9 7.695 5.478 1.690 1.00 0.00 N flip ATOM 132 CD2 HIS A 9 6.012 4.103 1.493 1.00 0.00 C flip ATOM 133 CE1 HIS A 9 7.826 4.441 2.579 1.00 0.00 C flip ATOM 134 NE2 HIS A 9 6.797 3.626 2.441 1.00 0.00 N flip ATOM 0 H HIS A 9 4.529 7.523 -1.548 1.00 0.00 H new ATOM 0 HA HIS A 9 3.853 5.766 0.552 1.00 0.00 H new ATOM 0 HB2 HIS A 9 5.790 5.485 -0.970 1.00 0.00 H new ATOM 0 HB3 HIS A 9 6.529 6.934 -0.319 1.00 0.00 H new ATOM 0 HD1 HIS A 9 8.341 6.258 1.571 1.00 0.00 H new ATOM 0 HD2 HIS A 9 5.093 3.647 1.156 1.00 0.00 H new ATOM 0 HE1 HIS A 9 8.639 4.313 3.278 1.00 0.00 H new ATOM 143 N ARG A 10 5.090 8.703 1.340 1.00 0.00 N ATOM 144 CA ARG A 10 5.307 9.662 2.414 1.00 0.00 C ATOM 145 C ARG A 10 4.033 9.876 3.220 1.00 0.00 C ATOM 146 O ARG A 10 4.048 9.806 4.448 1.00 0.00 O ATOM 147 CB ARG A 10 5.795 10.996 1.847 1.00 0.00 C ATOM 148 CG ARG A 10 7.301 11.063 1.653 1.00 0.00 C ATOM 149 CD ARG A 10 7.766 12.487 1.390 1.00 0.00 C ATOM 150 NE ARG A 10 8.850 12.882 2.288 1.00 0.00 N ATOM 151 CZ ARG A 10 8.863 14.010 2.998 1.00 0.00 C ATOM 152 NH1 ARG A 10 7.855 14.872 2.921 1.00 0.00 N ATOM 153 NH2 ARG A 10 9.892 14.279 3.790 1.00 0.00 N ATOM 0 H ARG A 10 5.292 9.065 0.408 1.00 0.00 H new ATOM 0 HA ARG A 10 6.071 9.256 3.077 1.00 0.00 H new ATOM 0 HB2 ARG A 10 5.306 11.174 0.889 1.00 0.00 H new ATOM 0 HB3 ARG A 10 5.488 11.799 2.516 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.801 10.674 2.540 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.590 10.425 0.818 1.00 0.00 H new ATOM 0 HD2 ARG A 10 8.101 12.574 0.356 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.926 13.171 1.512 1.00 0.00 H new ATOM 0 HE ARG A 10 9.648 12.253 2.377 1.00 0.00 H new ATOM 0 HH11 ARG A 10 7.060 14.674 2.314 1.00 0.00 H new ATOM 0 HH12 ARG A 10 7.876 15.732 3.469 1.00 0.00 H new ATOM 0 HH21 ARG A 10 10.671 13.624 3.855 1.00 0.00 H new ATOM 0 HH22 ARG A 10 9.905 15.141 4.334 1.00 0.00 H new ATOM 167 N GLN A 11 2.932 10.143 2.526 1.00 0.00 N ATOM 168 CA GLN A 11 1.660 10.374 3.195 1.00 0.00 C ATOM 169 C GLN A 11 1.152 9.107 3.886 1.00 0.00 C ATOM 170 O GLN A 11 0.910 9.106 5.096 1.00 0.00 O ATOM 171 CB GLN A 11 0.616 10.925 2.220 1.00 0.00 C ATOM 172 CG GLN A 11 0.527 10.201 0.885 1.00 0.00 C ATOM 173 CD GLN A 11 0.391 11.171 -0.262 1.00 0.00 C ATOM 174 OE1 GLN A 11 1.378 11.698 -0.774 1.00 0.00 O ATOM 175 NE2 GLN A 11 -0.843 11.417 -0.664 1.00 0.00 N ATOM 0 H GLN A 11 2.896 10.204 1.508 1.00 0.00 H new ATOM 0 HA GLN A 11 1.828 11.125 3.967 1.00 0.00 H new ATOM 0 HB2 GLN A 11 -0.362 10.887 2.701 1.00 0.00 H new ATOM 0 HB3 GLN A 11 0.838 11.975 2.031 1.00 0.00 H new ATOM 0 HG2 GLN A 11 1.418 9.589 0.742 1.00 0.00 H new ATOM 0 HG3 GLN A 11 -0.327 9.524 0.893 1.00 0.00 H new ATOM 0 HE21 GLN A 11 -1.630 10.955 -0.208 1.00 0.00 H new ATOM 0 HE22 GLN A 11 -1.009 12.069 -1.431 1.00 0.00 H new ATOM 184 N VAL A 12 0.997 8.026 3.125 1.00 0.00 N ATOM 185 CA VAL A 12 0.521 6.763 3.687 1.00 0.00 C ATOM 186 C VAL A 12 1.375 6.334 4.882 1.00 0.00 C ATOM 187 O VAL A 12 0.855 5.973 5.951 1.00 0.00 O ATOM 188 CB VAL A 12 0.525 5.641 2.626 1.00 0.00 C ATOM 189 CG1 VAL A 12 1.933 5.390 2.110 1.00 0.00 C ATOM 190 CG2 VAL A 12 -0.081 4.364 3.192 1.00 0.00 C ATOM 0 H VAL A 12 1.192 7.998 2.124 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.503 6.928 4.023 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.089 5.965 1.786 1.00 0.00 H new ATOM 0 HG11 VAL A 12 1.911 4.596 1.364 1.00 0.00 H new ATOM 0 HG12 VAL A 12 2.323 6.302 1.658 1.00 0.00 H new ATOM 0 HG13 VAL A 12 2.576 5.092 2.938 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.069 3.586 2.429 1.00 0.00 H new ATOM 0 HG22 VAL A 12 0.501 4.036 4.054 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -1.109 4.554 3.499 1.00 0.00 H new ATOM 200 N SER A 13 2.690 6.376 4.689 1.00 0.00 N ATOM 201 CA SER A 13 3.632 5.995 5.727 1.00 0.00 C ATOM 202 C SER A 13 3.515 6.905 6.938 1.00 0.00 C ATOM 203 O SER A 13 3.577 6.449 8.077 1.00 0.00 O ATOM 204 CB SER A 13 5.063 6.039 5.187 1.00 0.00 C ATOM 205 OG SER A 13 5.234 5.133 4.112 1.00 0.00 O ATOM 0 H SER A 13 3.126 6.673 3.816 1.00 0.00 H new ATOM 0 HA SER A 13 3.392 4.978 6.036 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.298 7.050 4.854 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.763 5.795 5.986 1.00 0.00 H new ATOM 0 HG SER A 13 4.729 5.449 3.334 1.00 0.00 H new ATOM 211 N ARG A 14 3.341 8.193 6.692 1.00 0.00 N ATOM 212 CA ARG A 14 3.222 9.147 7.777 1.00 0.00 C ATOM 213 C ARG A 14 1.966 8.868 8.581 1.00 0.00 C ATOM 214 O ARG A 14 1.917 9.115 9.783 1.00 0.00 O ATOM 215 CB ARG A 14 3.203 10.580 7.242 1.00 0.00 C ATOM 216 CG ARG A 14 3.487 11.629 8.304 1.00 0.00 C ATOM 217 CD ARG A 14 4.940 12.075 8.271 1.00 0.00 C ATOM 218 NE ARG A 14 5.852 11.002 8.660 1.00 0.00 N ATOM 219 CZ ARG A 14 7.149 10.985 8.361 1.00 0.00 C ATOM 220 NH1 ARG A 14 7.693 11.980 7.671 1.00 0.00 N ATOM 221 NH2 ARG A 14 7.906 9.969 8.754 1.00 0.00 N ATOM 0 H ARG A 14 3.280 8.598 5.758 1.00 0.00 H new ATOM 0 HA ARG A 14 4.090 9.039 8.427 1.00 0.00 H new ATOM 0 HB2 ARG A 14 3.942 10.672 6.446 1.00 0.00 H new ATOM 0 HB3 ARG A 14 2.228 10.780 6.797 1.00 0.00 H new ATOM 0 HG2 ARG A 14 2.837 12.490 8.149 1.00 0.00 H new ATOM 0 HG3 ARG A 14 3.251 11.225 9.289 1.00 0.00 H new ATOM 0 HD2 ARG A 14 5.191 12.418 7.267 1.00 0.00 H new ATOM 0 HD3 ARG A 14 5.074 12.925 8.941 1.00 0.00 H new ATOM 0 HE ARG A 14 5.472 10.219 9.192 1.00 0.00 H new ATOM 0 HH11 ARG A 14 7.116 12.764 7.366 1.00 0.00 H new ATOM 0 HH12 ARG A 14 8.688 11.960 7.446 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.494 9.202 9.285 1.00 0.00 H new ATOM 0 HH22 ARG A 14 8.900 9.955 8.525 1.00 0.00 H new ATOM 235 N LEU A 15 0.951 8.352 7.906 1.00 0.00 N ATOM 236 CA LEU A 15 -0.308 8.040 8.558 1.00 0.00 C ATOM 237 C LEU A 15 -0.186 6.835 9.476 1.00 0.00 C ATOM 238 O LEU A 15 -0.350 6.951 10.685 1.00 0.00 O ATOM 239 CB LEU A 15 -1.380 7.768 7.522 1.00 0.00 C ATOM 240 CG LEU A 15 -1.632 8.915 6.562 1.00 0.00 C ATOM 241 CD1 LEU A 15 -1.964 8.376 5.184 1.00 0.00 C ATOM 242 CD2 LEU A 15 -2.748 9.812 7.079 1.00 0.00 C ATOM 0 H LEU A 15 0.976 8.141 6.908 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.582 8.905 9.162 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.097 6.886 6.948 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.311 7.529 8.035 1.00 0.00 H new ATOM 0 HG LEU A 15 -0.726 9.517 6.488 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -2.143 9.207 4.502 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.130 7.778 4.816 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.858 7.755 5.242 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -2.913 10.629 6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.664 9.230 7.182 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -2.467 10.220 8.050 1.00 0.00 H new ATOM 254 N VAL A 16 0.083 5.669 8.898 1.00 0.00 N ATOM 255 CA VAL A 16 0.197 4.451 9.699 1.00 0.00 C ATOM 256 C VAL A 16 1.282 4.578 10.748 1.00 0.00 C ATOM 257 O VAL A 16 1.091 4.208 11.907 1.00 0.00 O ATOM 258 CB VAL A 16 0.503 3.219 8.831 1.00 0.00 C ATOM 259 CG1 VAL A 16 0.893 2.021 9.689 1.00 0.00 C ATOM 260 CG2 VAL A 16 -0.686 2.883 7.963 1.00 0.00 C ATOM 0 H VAL A 16 0.224 5.540 7.896 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.770 4.317 10.184 1.00 0.00 H new ATOM 0 HB VAL A 16 1.351 3.460 8.190 1.00 0.00 H new ATOM 0 HG11 VAL A 16 1.103 1.166 9.046 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.782 2.264 10.271 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.073 1.775 10.364 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.456 2.009 7.354 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.548 2.669 8.594 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.913 3.729 7.314 1.00 0.00 H new ATOM 270 N GLN A 17 2.428 5.082 10.331 1.00 0.00 N ATOM 271 CA GLN A 17 3.552 5.233 11.231 1.00 0.00 C ATOM 272 C GLN A 17 3.234 6.202 12.372 1.00 0.00 C ATOM 273 O GLN A 17 3.963 6.256 13.362 1.00 0.00 O ATOM 274 CB GLN A 17 4.790 5.668 10.446 1.00 0.00 C ATOM 275 CG GLN A 17 5.142 4.708 9.311 1.00 0.00 C ATOM 276 CD GLN A 17 6.338 3.835 9.637 1.00 0.00 C ATOM 277 OE1 GLN A 17 6.364 3.156 10.663 1.00 0.00 O ATOM 278 NE2 GLN A 17 7.336 3.848 8.761 1.00 0.00 N ATOM 0 H GLN A 17 2.604 5.393 9.376 1.00 0.00 H new ATOM 0 HA GLN A 17 3.759 4.268 11.693 1.00 0.00 H new ATOM 0 HB2 GLN A 17 4.622 6.663 10.034 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.638 5.744 11.127 1.00 0.00 H new ATOM 0 HG2 GLN A 17 4.282 4.074 9.096 1.00 0.00 H new ATOM 0 HG3 GLN A 17 5.350 5.280 8.407 1.00 0.00 H new ATOM 0 HE21 GLN A 17 7.272 4.426 7.923 1.00 0.00 H new ATOM 0 HE22 GLN A 17 8.167 3.280 8.926 1.00 0.00 H new ATOM 287 N GLN A 18 2.132 6.948 12.250 1.00 0.00 N ATOM 288 CA GLN A 18 1.736 7.879 13.304 1.00 0.00 C ATOM 289 C GLN A 18 0.338 8.447 13.056 1.00 0.00 C ATOM 290 O GLN A 18 0.164 9.659 12.927 1.00 0.00 O ATOM 291 CB GLN A 18 2.758 9.013 13.434 1.00 0.00 C ATOM 292 CG GLN A 18 2.833 9.922 12.218 1.00 0.00 C ATOM 293 CD GLN A 18 3.232 11.340 12.576 1.00 0.00 C ATOM 294 OE1 GLN A 18 4.405 11.705 12.503 1.00 0.00 O ATOM 295 NE2 GLN A 18 2.253 12.148 12.969 1.00 0.00 N ATOM 0 H GLN A 18 1.508 6.925 11.443 1.00 0.00 H new ATOM 0 HA GLN A 18 1.708 7.323 14.241 1.00 0.00 H new ATOM 0 HB2 GLN A 18 2.509 9.614 14.309 1.00 0.00 H new ATOM 0 HB3 GLN A 18 3.743 8.582 13.613 1.00 0.00 H new ATOM 0 HG2 GLN A 18 3.552 9.514 11.508 1.00 0.00 H new ATOM 0 HG3 GLN A 18 1.864 9.936 11.719 1.00 0.00 H new ATOM 0 HE21 GLN A 18 1.294 11.803 13.015 1.00 0.00 H new ATOM 0 HE22 GLN A 18 2.460 13.113 13.225 1.00 0.00 H new ATOM 304 N GLU A 19 -0.664 7.568 12.997 1.00 0.00 N ATOM 305 CA GLU A 19 -2.041 8.006 12.768 1.00 0.00 C ATOM 306 C GLU A 19 -3.015 6.833 12.684 1.00 0.00 C ATOM 307 O GLU A 19 -3.978 6.764 13.448 1.00 0.00 O ATOM 308 CB GLU A 19 -2.131 8.838 11.486 1.00 0.00 C ATOM 309 CG GLU A 19 -2.924 10.125 11.651 1.00 0.00 C ATOM 310 CD GLU A 19 -2.319 11.288 10.889 1.00 0.00 C ATOM 311 OE1 GLU A 19 -1.116 11.222 10.560 1.00 0.00 O ATOM 312 OE2 GLU A 19 -3.048 12.267 10.622 1.00 0.00 O ATOM 0 H GLU A 19 -0.550 6.560 13.103 1.00 0.00 H new ATOM 0 HA GLU A 19 -2.326 8.616 13.625 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -1.123 9.082 11.150 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -2.591 8.235 10.703 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.946 9.964 11.308 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -2.980 10.379 12.709 1.00 0.00 H new ATOM 319 N SER A 20 -2.781 5.928 11.740 1.00 0.00 N ATOM 320 CA SER A 20 -3.667 4.782 11.556 1.00 0.00 C ATOM 321 C SER A 20 -3.259 3.606 12.435 1.00 0.00 C ATOM 322 O SER A 20 -3.854 3.367 13.486 1.00 0.00 O ATOM 323 CB SER A 20 -3.686 4.352 10.087 1.00 0.00 C ATOM 324 OG SER A 20 -4.646 5.091 9.354 1.00 0.00 O ATOM 0 H SER A 20 -1.992 5.964 11.094 1.00 0.00 H new ATOM 0 HA SER A 20 -4.668 5.093 11.854 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.698 4.497 9.649 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.912 3.288 10.019 1.00 0.00 H new ATOM 0 HG SER A 20 -4.229 5.900 8.991 1.00 0.00 H new ATOM 330 N GLY A 21 -2.247 2.873 11.994 1.00 0.00 N ATOM 331 CA GLY A 21 -1.778 1.725 12.746 1.00 0.00 C ATOM 332 C GLY A 21 -2.148 0.405 12.093 1.00 0.00 C ATOM 333 O GLY A 21 -2.747 -0.459 12.731 1.00 0.00 O ATOM 0 H GLY A 21 -1.741 3.053 11.127 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -0.695 1.783 12.851 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -2.198 1.758 13.751 1.00 0.00 H new ATOM 337 N ASP A 22 -1.780 0.247 10.820 1.00 0.00 N ATOM 338 CA ASP A 22 -2.058 -0.982 10.067 1.00 0.00 C ATOM 339 C ASP A 22 -3.476 -0.994 9.482 1.00 0.00 C ATOM 340 O ASP A 22 -3.867 -1.955 8.820 1.00 0.00 O ATOM 341 CB ASP A 22 -1.815 -2.226 10.944 1.00 0.00 C ATOM 342 CG ASP A 22 -3.091 -2.949 11.349 1.00 0.00 C ATOM 343 OD1 ASP A 22 -3.624 -3.719 10.522 1.00 0.00 O ATOM 344 OD2 ASP A 22 -3.552 -2.747 12.491 1.00 0.00 O ATOM 0 H ASP A 22 -1.285 0.960 10.284 1.00 0.00 H new ATOM 0 HA ASP A 22 -1.365 -1.009 9.226 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -1.171 -2.920 10.404 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.277 -1.926 11.843 1.00 0.00 H new ATOM 349 N CYS A 23 -4.237 0.071 9.715 1.00 0.00 N ATOM 350 CA CYS A 23 -5.598 0.158 9.190 1.00 0.00 C ATOM 351 C CYS A 23 -5.584 0.098 7.666 1.00 0.00 C ATOM 352 O CYS A 23 -4.566 -0.240 7.063 1.00 0.00 O ATOM 353 CB CYS A 23 -6.264 1.450 9.669 1.00 0.00 C ATOM 354 SG CYS A 23 -7.487 1.202 10.978 1.00 0.00 S ATOM 0 H CYS A 23 -3.939 0.880 10.259 1.00 0.00 H new ATOM 0 HA CYS A 23 -6.173 -0.690 9.562 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -5.494 2.132 10.029 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -6.747 1.934 8.821 1.00 0.00 H new ATOM 0 HG CYS A 23 -7.128 1.864 12.038 1.00 0.00 H new ATOM 360 N THR A 24 -6.710 0.430 7.042 1.00 0.00 N ATOM 361 CA THR A 24 -6.797 0.410 5.586 1.00 0.00 C ATOM 362 C THR A 24 -6.755 1.831 5.047 1.00 0.00 C ATOM 363 O THR A 24 -7.365 2.732 5.613 1.00 0.00 O ATOM 364 CB THR A 24 -8.078 -0.292 5.131 1.00 0.00 C ATOM 365 OG1 THR A 24 -8.248 -1.519 5.817 1.00 0.00 O ATOM 366 CG2 THR A 24 -8.110 -0.590 3.645 1.00 0.00 C ATOM 0 H THR A 24 -7.567 0.714 7.516 1.00 0.00 H new ATOM 0 HA THR A 24 -5.946 -0.146 5.193 1.00 0.00 H new ATOM 0 HB THR A 24 -8.883 0.407 5.360 1.00 0.00 H new ATOM 0 HG1 THR A 24 -7.915 -1.430 6.734 1.00 0.00 H new ATOM 0 HG21 THR A 24 -9.047 -1.088 3.394 1.00 0.00 H new ATOM 0 HG22 THR A 24 -8.033 0.342 3.085 1.00 0.00 H new ATOM 0 HG23 THR A 24 -7.273 -1.239 3.386 1.00 0.00 H new ATOM 374 N GLY A 25 -6.018 2.036 3.964 1.00 0.00 N ATOM 375 CA GLY A 25 -5.908 3.365 3.398 1.00 0.00 C ATOM 376 C GLY A 25 -6.523 3.480 2.024 1.00 0.00 C ATOM 377 O GLY A 25 -6.649 2.490 1.304 1.00 0.00 O ATOM 0 H GLY A 25 -5.498 1.311 3.470 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -6.391 4.078 4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -4.856 3.643 3.342 1.00 0.00 H new ATOM 381 N LYS A 26 -6.898 4.700 1.661 1.00 0.00 N ATOM 382 CA LYS A 26 -7.493 4.959 0.360 1.00 0.00 C ATOM 383 C LYS A 26 -6.581 5.845 -0.471 1.00 0.00 C ATOM 384 O LYS A 26 -5.825 6.650 0.077 1.00 0.00 O ATOM 385 CB LYS A 26 -8.864 5.614 0.515 1.00 0.00 C ATOM 386 CG LYS A 26 -8.821 7.074 0.919 1.00 0.00 C ATOM 387 CD LYS A 26 -9.418 7.957 -0.164 1.00 0.00 C ATOM 388 CE LYS A 26 -8.676 9.275 -0.292 1.00 0.00 C ATOM 389 NZ LYS A 26 -7.209 9.082 -0.407 1.00 0.00 N ATOM 0 H LYS A 26 -6.800 5.526 2.252 1.00 0.00 H new ATOM 0 HA LYS A 26 -7.621 4.006 -0.153 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.403 5.527 -0.428 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -9.435 5.060 1.261 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -9.370 7.214 1.850 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -7.790 7.372 1.109 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.390 7.431 -1.118 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.466 8.151 0.063 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -9.040 9.812 -1.168 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -8.892 9.898 0.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -6.747 9.398 0.470 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -7.003 8.075 -0.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -6.848 9.638 -1.208 1.00 0.00 H new ATOM 403 N LEU A 27 -6.653 5.693 -1.792 1.00 0.00 N ATOM 404 CA LEU A 27 -5.821 6.480 -2.693 1.00 0.00 C ATOM 405 C LEU A 27 -6.639 7.127 -3.811 1.00 0.00 C ATOM 406 O LEU A 27 -7.071 6.460 -4.752 1.00 0.00 O ATOM 407 CB LEU A 27 -4.721 5.602 -3.293 1.00 0.00 C ATOM 408 CG LEU A 27 -3.902 6.251 -4.412 1.00 0.00 C ATOM 409 CD1 LEU A 27 -2.498 5.670 -4.447 1.00 0.00 C ATOM 410 CD2 LEU A 27 -4.590 6.065 -5.755 1.00 0.00 C ATOM 0 H LEU A 27 -7.277 5.034 -2.258 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.372 7.282 -2.107 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.042 5.303 -2.495 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -5.177 4.691 -3.681 1.00 0.00 H new ATOM 0 HG LEU A 27 -3.829 7.320 -4.210 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -1.929 6.142 -5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.004 5.855 -3.493 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -2.553 4.596 -4.625 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.993 6.533 -6.538 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.695 5.001 -5.966 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.576 6.528 -5.726 1.00 0.00 H new ATOM 422 N ARG A 28 -6.820 8.437 -3.704 1.00 0.00 N ATOM 423 CA ARG A 28 -7.549 9.211 -4.704 1.00 0.00 C ATOM 424 C ARG A 28 -6.765 10.480 -5.028 1.00 0.00 C ATOM 425 O ARG A 28 -7.286 11.591 -4.920 1.00 0.00 O ATOM 426 CB ARG A 28 -8.949 9.579 -4.202 1.00 0.00 C ATOM 427 CG ARG A 28 -9.556 8.543 -3.277 1.00 0.00 C ATOM 428 CD ARG A 28 -9.958 7.290 -4.034 1.00 0.00 C ATOM 429 NE ARG A 28 -11.225 6.740 -3.556 1.00 0.00 N ATOM 430 CZ ARG A 28 -12.384 7.394 -3.604 1.00 0.00 C ATOM 431 NH1 ARG A 28 -12.448 8.613 -4.127 1.00 0.00 N ATOM 432 NH2 ARG A 28 -13.486 6.825 -3.133 1.00 0.00 N ATOM 0 H ARG A 28 -6.467 8.993 -2.925 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.660 8.604 -5.602 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -8.899 10.534 -3.680 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -9.608 9.718 -5.059 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -8.839 8.284 -2.498 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -10.429 8.965 -2.779 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -10.041 7.520 -5.096 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -9.175 6.538 -3.931 1.00 0.00 H new ATOM 0 HE ARG A 28 -11.221 5.799 -3.162 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -11.606 9.055 -4.496 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -13.339 9.108 -4.160 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -13.445 5.887 -2.734 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -14.374 7.326 -3.170 1.00 0.00 H new ATOM 446 N GLY A 29 -5.487 10.311 -5.365 1.00 0.00 N ATOM 447 CA GLY A 29 -4.631 11.455 -5.625 1.00 0.00 C ATOM 448 C GLY A 29 -4.083 11.988 -4.315 1.00 0.00 C ATOM 449 O GLY A 29 -3.400 13.012 -4.266 1.00 0.00 O ATOM 0 H GLY A 29 -5.031 9.404 -5.462 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -3.811 11.167 -6.283 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -5.194 12.234 -6.139 1.00 0.00 H new ATOM 453 N ASN A 30 -4.420 11.261 -3.253 1.00 0.00 N ATOM 454 CA ASN A 30 -4.032 11.564 -1.892 1.00 0.00 C ATOM 455 C ASN A 30 -4.323 10.314 -1.064 1.00 0.00 C ATOM 456 O ASN A 30 -5.012 9.414 -1.544 1.00 0.00 O ATOM 457 CB ASN A 30 -4.812 12.785 -1.374 1.00 0.00 C ATOM 458 CG ASN A 30 -5.135 12.709 0.107 1.00 0.00 C ATOM 459 OD1 ASN A 30 -5.982 11.756 0.475 1.00 0.00 O flip ATOM 460 ND2 ASN A 30 -4.632 13.498 0.908 1.00 0.00 N flip ATOM 0 H ASN A 30 -4.990 10.418 -3.326 1.00 0.00 H new ATOM 0 HA ASN A 30 -2.975 11.820 -1.825 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -4.230 13.687 -1.566 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -5.741 12.879 -1.937 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -3.985 14.215 0.580 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -4.862 13.434 1.900 1.00 0.00 H new ATOM 467 N VAL A 31 -3.815 10.233 0.154 1.00 0.00 N ATOM 468 CA VAL A 31 -4.070 9.055 0.973 1.00 0.00 C ATOM 469 C VAL A 31 -4.922 9.373 2.190 1.00 0.00 C ATOM 470 O VAL A 31 -4.717 10.377 2.872 1.00 0.00 O ATOM 471 CB VAL A 31 -2.773 8.402 1.450 1.00 0.00 C ATOM 472 CG1 VAL A 31 -1.997 9.374 2.311 1.00 0.00 C ATOM 473 CG2 VAL A 31 -3.060 7.111 2.206 1.00 0.00 C ATOM 0 H VAL A 31 -3.236 10.950 0.592 1.00 0.00 H new ATOM 0 HA VAL A 31 -4.612 8.364 0.328 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.168 8.145 0.580 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.073 8.904 2.649 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.759 10.265 1.730 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.598 9.654 3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.121 6.666 2.535 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.682 7.328 3.074 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.582 6.414 1.551 1.00 0.00 H new ATOM 483 N ALA A 32 -5.862 8.485 2.461 1.00 0.00 N ATOM 484 CA ALA A 32 -6.746 8.629 3.613 1.00 0.00 C ATOM 485 C ALA A 32 -6.725 7.367 4.468 1.00 0.00 C ATOM 486 O ALA A 32 -6.249 6.319 4.030 1.00 0.00 O ATOM 487 CB ALA A 32 -8.162 8.951 3.168 1.00 0.00 C ATOM 0 H ALA A 32 -6.036 7.652 1.899 1.00 0.00 H new ATOM 0 HA ALA A 32 -6.383 9.459 4.219 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -8.804 9.054 4.043 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -8.163 9.884 2.605 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.537 8.146 2.536 1.00 0.00 H new ATOM 493 N ALA A 33 -7.232 7.475 5.692 1.00 0.00 N ATOM 494 CA ALA A 33 -7.257 6.344 6.609 1.00 0.00 C ATOM 495 C ALA A 33 -8.657 5.749 6.730 1.00 0.00 C ATOM 496 O ALA A 33 -9.660 6.455 6.625 1.00 0.00 O ATOM 497 CB ALA A 33 -6.746 6.772 7.977 1.00 0.00 C ATOM 0 H ALA A 33 -7.631 8.334 6.070 1.00 0.00 H new ATOM 0 HA ALA A 33 -6.603 5.571 6.205 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -6.768 5.920 8.657 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -5.723 7.137 7.885 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -7.380 7.566 8.370 1.00 0.00 H new ATOM 503 N ASN A 34 -8.708 4.439 6.954 1.00 0.00 N ATOM 504 CA ASN A 34 -9.969 3.720 7.097 1.00 0.00 C ATOM 505 C ASN A 34 -9.894 2.749 8.269 1.00 0.00 C ATOM 506 O ASN A 34 -9.081 1.818 8.269 1.00 0.00 O ATOM 507 CB ASN A 34 -10.302 2.960 5.808 1.00 0.00 C ATOM 508 CG ASN A 34 -11.603 2.184 5.909 1.00 0.00 C ATOM 509 OD1 ASN A 34 -12.634 2.727 6.305 1.00 0.00 O ATOM 510 ND2 ASN A 34 -11.559 0.905 5.549 1.00 0.00 N ATOM 0 H ASN A 34 -7.881 3.849 7.041 1.00 0.00 H new ATOM 0 HA ASN A 34 -10.759 4.446 7.290 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -10.368 3.666 4.980 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -9.489 2.272 5.576 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -12.402 0.333 5.595 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -10.682 0.496 5.227 1.00 0.00 H new ATOM 517 N LYS A 35 -10.743 2.976 9.267 1.00 0.00 N ATOM 518 CA LYS A 35 -10.778 2.129 10.454 1.00 0.00 C ATOM 519 C LYS A 35 -12.171 1.538 10.677 1.00 0.00 C ATOM 520 O LYS A 35 -12.405 0.844 11.666 1.00 0.00 O ATOM 521 CB LYS A 35 -10.350 2.931 11.686 1.00 0.00 C ATOM 522 CG LYS A 35 -9.160 3.846 11.438 1.00 0.00 C ATOM 523 CD LYS A 35 -9.584 5.302 11.329 1.00 0.00 C ATOM 524 CE LYS A 35 -8.557 6.230 11.958 1.00 0.00 C ATOM 525 NZ LYS A 35 -7.230 6.125 11.290 1.00 0.00 N ATOM 0 H LYS A 35 -11.417 3.741 9.277 1.00 0.00 H new ATOM 0 HA LYS A 35 -10.082 1.305 10.297 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.193 3.531 12.029 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.103 2.239 12.491 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.441 3.736 12.250 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.654 3.545 10.521 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.719 5.565 10.280 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.548 5.439 11.819 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -8.913 7.259 11.899 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -8.451 5.990 13.016 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.478 6.143 12.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -7.179 5.233 10.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -7.105 6.926 10.638 1.00 0.00 H new ATOM 539 N GLU A 36 -13.094 1.812 9.756 1.00 0.00 N ATOM 540 CA GLU A 36 -14.455 1.297 9.866 1.00 0.00 C ATOM 541 C GLU A 36 -14.453 -0.227 9.849 1.00 0.00 C ATOM 542 O GLU A 36 -15.006 -0.871 10.741 1.00 0.00 O ATOM 543 CB GLU A 36 -15.321 1.831 8.724 1.00 0.00 C ATOM 544 CG GLU A 36 -15.683 3.301 8.867 1.00 0.00 C ATOM 545 CD GLU A 36 -15.785 4.008 7.530 1.00 0.00 C ATOM 546 OE1 GLU A 36 -14.761 4.084 6.818 1.00 0.00 O ATOM 547 OE2 GLU A 36 -16.889 4.486 7.194 1.00 0.00 O ATOM 0 H GLU A 36 -12.924 2.385 8.930 1.00 0.00 H new ATOM 0 HA GLU A 36 -14.873 1.636 10.814 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -14.793 1.686 7.781 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -16.238 1.244 8.670 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -16.633 3.388 9.393 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -14.932 3.798 9.481 1.00 0.00 H new ATOM 554 N THR A 37 -13.818 -0.795 8.830 1.00 0.00 N ATOM 555 CA THR A 37 -13.729 -2.244 8.690 1.00 0.00 C ATOM 556 C THR A 37 -12.275 -2.666 8.491 1.00 0.00 C ATOM 557 O THR A 37 -11.566 -2.935 9.461 1.00 0.00 O ATOM 558 CB THR A 37 -14.611 -2.731 7.529 1.00 0.00 C ATOM 559 OG1 THR A 37 -14.099 -3.929 6.972 1.00 0.00 O ATOM 560 CG2 THR A 37 -14.749 -1.724 6.404 1.00 0.00 C ATOM 0 H THR A 37 -13.356 -0.272 8.086 1.00 0.00 H new ATOM 0 HA THR A 37 -14.097 -2.708 9.605 1.00 0.00 H new ATOM 0 HB THR A 37 -15.595 -2.889 7.972 1.00 0.00 H new ATOM 0 HG1 THR A 37 -14.677 -4.221 6.236 1.00 0.00 H new ATOM 0 HG21 THR A 37 -15.385 -2.138 5.621 1.00 0.00 H new ATOM 0 HG22 THR A 37 -15.197 -0.808 6.789 1.00 0.00 H new ATOM 0 HG23 THR A 37 -13.765 -1.502 5.992 1.00 0.00 H new ATOM 568 N THR A 38 -11.832 -2.713 7.236 1.00 0.00 N ATOM 569 CA THR A 38 -10.459 -3.090 6.913 1.00 0.00 C ATOM 570 C THR A 38 -10.330 -3.393 5.416 1.00 0.00 C ATOM 571 O THR A 38 -10.339 -2.476 4.596 1.00 0.00 O ATOM 572 CB THR A 38 -10.002 -4.287 7.766 1.00 0.00 C ATOM 573 OG1 THR A 38 -8.888 -4.933 7.175 1.00 0.00 O ATOM 574 CG2 THR A 38 -11.082 -5.329 7.976 1.00 0.00 C ATOM 0 H THR A 38 -12.408 -2.493 6.423 1.00 0.00 H new ATOM 0 HA THR A 38 -9.804 -2.251 7.148 1.00 0.00 H new ATOM 0 HB THR A 38 -9.742 -3.861 8.735 1.00 0.00 H new ATOM 0 HG1 THR A 38 -8.614 -5.689 7.735 1.00 0.00 H new ATOM 0 HG21 THR A 38 -10.689 -6.143 8.586 1.00 0.00 H new ATOM 0 HG22 THR A 38 -11.933 -4.874 8.483 1.00 0.00 H new ATOM 0 HG23 THR A 38 -11.402 -5.721 7.011 1.00 0.00 H new ATOM 582 N PHE A 39 -10.226 -4.677 5.064 1.00 0.00 N ATOM 583 CA PHE A 39 -10.105 -5.104 3.669 1.00 0.00 C ATOM 584 C PHE A 39 -9.738 -6.591 3.605 1.00 0.00 C ATOM 585 O PHE A 39 -9.858 -7.300 4.601 1.00 0.00 O ATOM 586 CB PHE A 39 -9.067 -4.249 2.912 1.00 0.00 C ATOM 587 CG PHE A 39 -7.659 -4.781 2.984 1.00 0.00 C ATOM 588 CD1 PHE A 39 -7.156 -5.298 4.169 1.00 0.00 C ATOM 589 CD2 PHE A 39 -6.842 -4.767 1.866 1.00 0.00 C ATOM 590 CE1 PHE A 39 -5.868 -5.792 4.234 1.00 0.00 C ATOM 591 CE2 PHE A 39 -5.551 -5.259 1.925 1.00 0.00 C ATOM 592 CZ PHE A 39 -5.063 -5.771 3.111 1.00 0.00 C ATOM 0 H PHE A 39 -10.223 -5.446 5.734 1.00 0.00 H new ATOM 0 HA PHE A 39 -11.069 -4.960 3.180 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -9.364 -4.179 1.866 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -9.082 -3.237 3.316 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -7.779 -5.314 5.051 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.218 -4.367 0.936 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -5.490 -6.195 5.162 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -4.925 -5.243 1.045 1.00 0.00 H new ATOM 0 HZ PHE A 39 -4.054 -6.154 3.161 1.00 0.00 H new ATOM 602 N GLN A 40 -9.283 -7.041 2.430 1.00 0.00 N ATOM 603 CA GLN A 40 -8.883 -8.439 2.198 1.00 0.00 C ATOM 604 C GLN A 40 -9.104 -8.821 0.738 1.00 0.00 C ATOM 605 O GLN A 40 -9.804 -9.788 0.435 1.00 0.00 O ATOM 606 CB GLN A 40 -9.661 -9.415 3.084 1.00 0.00 C ATOM 607 CG GLN A 40 -11.169 -9.359 2.881 1.00 0.00 C ATOM 608 CD GLN A 40 -11.916 -8.935 4.131 1.00 0.00 C ATOM 609 OE1 GLN A 40 -11.913 -9.639 5.140 1.00 0.00 O ATOM 610 NE2 GLN A 40 -12.563 -7.776 4.067 1.00 0.00 N ATOM 0 H GLN A 40 -9.180 -6.446 1.608 1.00 0.00 H new ATOM 0 HA GLN A 40 -7.825 -8.509 2.451 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -9.314 -10.429 2.884 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -9.436 -9.201 4.129 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -11.397 -8.663 2.074 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -11.525 -10.340 2.566 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -12.538 -7.225 3.209 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -13.084 -7.438 4.876 1.00 0.00 H new ATOM 619 N GLY A 41 -8.512 -8.051 -0.161 1.00 0.00 N ATOM 620 CA GLY A 41 -8.662 -8.310 -1.584 1.00 0.00 C ATOM 621 C GLY A 41 -10.085 -8.077 -2.075 1.00 0.00 C ATOM 622 O GLY A 41 -10.328 -7.168 -2.870 1.00 0.00 O ATOM 0 H GLY A 41 -7.927 -7.247 0.067 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -7.980 -7.667 -2.140 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -8.373 -9.340 -1.795 1.00 0.00 H new ATOM 626 N LEU A 42 -11.023 -8.896 -1.591 1.00 0.00 N ATOM 627 CA LEU A 42 -12.441 -8.797 -1.954 1.00 0.00 C ATOM 628 C LEU A 42 -12.656 -8.116 -3.319 1.00 0.00 C ATOM 629 O LEU A 42 -11.924 -8.375 -4.269 1.00 0.00 O ATOM 630 CB LEU A 42 -13.179 -8.051 -0.843 1.00 0.00 C ATOM 631 CG LEU A 42 -14.646 -8.439 -0.660 1.00 0.00 C ATOM 632 CD1 LEU A 42 -14.813 -9.314 0.571 1.00 0.00 C ATOM 633 CD2 LEU A 42 -15.524 -7.200 -0.559 1.00 0.00 C ATOM 0 H LEU A 42 -10.820 -9.649 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.843 -9.805 -2.057 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -12.655 -8.222 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -13.126 -6.982 -1.048 1.00 0.00 H new ATOM 0 HG LEU A 42 -14.962 -9.008 -1.535 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -15.863 -9.582 0.687 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -14.218 -10.220 0.457 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -14.478 -8.769 1.453 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -16.564 -7.500 -0.429 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -15.210 -6.600 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -15.428 -6.611 -1.471 1.00 0.00 H new ATOM 645 N THR A 43 -13.662 -7.251 -3.423 1.00 0.00 N ATOM 646 CA THR A 43 -13.936 -6.563 -4.681 1.00 0.00 C ATOM 647 C THR A 43 -15.013 -5.491 -4.526 1.00 0.00 C ATOM 648 O THR A 43 -15.651 -5.102 -5.504 1.00 0.00 O ATOM 649 CB THR A 43 -14.354 -7.569 -5.754 1.00 0.00 C ATOM 650 OG1 THR A 43 -14.712 -8.808 -5.169 1.00 0.00 O ATOM 651 CG2 THR A 43 -13.265 -7.836 -6.766 1.00 0.00 C ATOM 0 H THR A 43 -14.295 -7.012 -2.660 1.00 0.00 H new ATOM 0 HA THR A 43 -13.015 -6.065 -4.985 1.00 0.00 H new ATOM 0 HB THR A 43 -15.205 -7.117 -6.264 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.978 -9.437 -5.872 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.621 -8.557 -7.502 1.00 0.00 H new ATOM 0 HG22 THR A 43 -13.000 -6.906 -7.269 1.00 0.00 H new ATOM 0 HG23 THR A 43 -12.388 -8.237 -6.259 1.00 0.00 H new ATOM 659 N ILE A 44 -15.210 -5.008 -3.302 1.00 0.00 N ATOM 660 CA ILE A 44 -16.207 -3.974 -3.041 1.00 0.00 C ATOM 661 C ILE A 44 -17.626 -4.466 -3.345 1.00 0.00 C ATOM 662 O ILE A 44 -18.594 -3.717 -3.217 1.00 0.00 O ATOM 663 CB ILE A 44 -15.907 -2.704 -3.870 1.00 0.00 C ATOM 664 CG1 ILE A 44 -14.550 -2.113 -3.472 1.00 0.00 C ATOM 665 CG2 ILE A 44 -17.005 -1.664 -3.688 1.00 0.00 C ATOM 666 CD1 ILE A 44 -13.377 -3.038 -3.724 1.00 0.00 C ATOM 0 H ILE A 44 -14.694 -5.315 -2.478 1.00 0.00 H new ATOM 0 HA ILE A 44 -16.150 -3.732 -1.980 1.00 0.00 H new ATOM 0 HB ILE A 44 -15.873 -2.988 -4.922 1.00 0.00 H new ATOM 0 HG12 ILE A 44 -14.393 -1.186 -4.023 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -14.574 -1.854 -2.413 1.00 0.00 H new ATOM 0 HG21 ILE A 44 -16.771 -0.780 -4.281 1.00 0.00 H new ATOM 0 HG22 ILE A 44 -17.958 -2.079 -4.016 1.00 0.00 H new ATOM 0 HG23 ILE A 44 -17.073 -1.387 -2.636 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -12.454 -2.547 -3.416 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -13.508 -3.956 -3.151 1.00 0.00 H new ATOM 0 HD13 ILE A 44 -13.324 -3.277 -4.786 1.00 0.00 H new ATOM 678 N ALA A 45 -17.747 -5.730 -3.738 1.00 0.00 N ATOM 679 CA ALA A 45 -19.044 -6.312 -4.048 1.00 0.00 C ATOM 680 C ALA A 45 -19.706 -6.872 -2.793 1.00 0.00 C ATOM 681 O ALA A 45 -20.924 -7.038 -2.743 1.00 0.00 O ATOM 682 CB ALA A 45 -18.889 -7.401 -5.097 1.00 0.00 C ATOM 0 H ALA A 45 -16.960 -6.370 -3.849 1.00 0.00 H new ATOM 0 HA ALA A 45 -19.687 -5.526 -4.445 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -19.865 -7.831 -5.322 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -18.462 -6.974 -6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -18.228 -8.181 -4.717 1.00 0.00 H new ATOM 688 N SER A 46 -18.893 -7.168 -1.782 1.00 0.00 N ATOM 689 CA SER A 46 -19.401 -7.716 -0.530 1.00 0.00 C ATOM 690 C SER A 46 -19.479 -6.645 0.556 1.00 0.00 C ATOM 691 O SER A 46 -20.341 -6.707 1.433 1.00 0.00 O ATOM 692 CB SER A 46 -18.515 -8.870 -0.059 1.00 0.00 C ATOM 693 OG SER A 46 -19.291 -9.907 0.518 1.00 0.00 O ATOM 0 H SER A 46 -17.882 -7.037 -1.806 1.00 0.00 H new ATOM 0 HA SER A 46 -20.409 -8.087 -0.714 1.00 0.00 H new ATOM 0 HB2 SER A 46 -17.946 -9.263 -0.902 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.792 -8.504 0.670 1.00 0.00 H new ATOM 0 HG SER A 46 -18.701 -10.633 0.809 1.00 0.00 H new ATOM 699 N GLY A 47 -18.578 -5.666 0.499 1.00 0.00 N ATOM 700 CA GLY A 47 -18.583 -4.610 1.497 1.00 0.00 C ATOM 701 C GLY A 47 -17.462 -3.600 1.318 1.00 0.00 C ATOM 702 O GLY A 47 -17.617 -2.433 1.677 1.00 0.00 O ATOM 0 H GLY A 47 -17.852 -5.586 -0.213 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -19.540 -4.089 1.458 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -18.503 -5.057 2.488 1.00 0.00 H new ATOM 706 N ALA A 48 -16.329 -4.041 0.773 1.00 0.00 N ATOM 707 CA ALA A 48 -15.185 -3.152 0.565 1.00 0.00 C ATOM 708 C ALA A 48 -15.605 -1.849 -0.107 1.00 0.00 C ATOM 709 O ALA A 48 -16.757 -1.689 -0.509 1.00 0.00 O ATOM 710 CB ALA A 48 -14.112 -3.845 -0.258 1.00 0.00 C ATOM 0 H ALA A 48 -16.178 -5.003 0.469 1.00 0.00 H new ATOM 0 HA ALA A 48 -14.776 -2.908 1.545 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -13.270 -3.168 -0.402 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -13.773 -4.739 0.265 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -14.522 -4.125 -1.228 1.00 0.00 H new ATOM 716 N ARG A 49 -14.665 -0.915 -0.220 1.00 0.00 N ATOM 717 CA ARG A 49 -14.951 0.378 -0.838 1.00 0.00 C ATOM 718 C ARG A 49 -14.038 0.642 -2.033 1.00 0.00 C ATOM 719 O ARG A 49 -13.110 -0.120 -2.298 1.00 0.00 O ATOM 720 CB ARG A 49 -14.798 1.497 0.194 1.00 0.00 C ATOM 721 CG ARG A 49 -15.382 1.153 1.555 1.00 0.00 C ATOM 722 CD ARG A 49 -15.161 2.275 2.557 1.00 0.00 C ATOM 723 NE ARG A 49 -15.548 3.575 2.015 1.00 0.00 N ATOM 724 CZ ARG A 49 -16.809 3.944 1.799 1.00 0.00 C ATOM 725 NH1 ARG A 49 -17.808 3.117 2.083 1.00 0.00 N ATOM 726 NH2 ARG A 49 -17.072 5.143 1.299 1.00 0.00 N ATOM 0 H ARG A 49 -13.705 -1.027 0.105 1.00 0.00 H new ATOM 0 HA ARG A 49 -15.979 0.356 -1.200 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -13.740 1.730 0.310 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -15.283 2.397 -0.183 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -16.450 0.958 1.455 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -14.924 0.236 1.927 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -15.736 2.073 3.461 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -14.111 2.301 2.847 1.00 0.00 H new ATOM 0 HE ARG A 49 -14.808 4.240 1.788 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -17.612 2.193 2.469 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -18.772 3.405 1.915 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -16.308 5.783 1.080 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -18.038 5.426 1.133 1.00 0.00 H new ATOM 740 N GLU A 50 -14.309 1.730 -2.752 1.00 0.00 N ATOM 741 CA GLU A 50 -13.509 2.099 -3.917 1.00 0.00 C ATOM 742 C GLU A 50 -12.095 2.489 -3.494 1.00 0.00 C ATOM 743 O GLU A 50 -11.135 2.303 -4.239 1.00 0.00 O ATOM 744 CB GLU A 50 -14.173 3.255 -4.672 1.00 0.00 C ATOM 745 CG GLU A 50 -14.742 2.850 -6.022 1.00 0.00 C ATOM 746 CD GLU A 50 -14.588 3.936 -7.070 1.00 0.00 C ATOM 747 OE1 GLU A 50 -13.445 4.175 -7.513 1.00 0.00 O ATOM 748 OE2 GLU A 50 -15.610 4.547 -7.446 1.00 0.00 O ATOM 0 H GLU A 50 -15.076 2.371 -2.548 1.00 0.00 H new ATOM 0 HA GLU A 50 -13.446 1.236 -4.580 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -14.974 3.667 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -13.442 4.050 -4.818 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -14.242 1.945 -6.366 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -15.798 2.607 -5.909 1.00 0.00 H new ATOM 755 N SER A 51 -11.988 3.023 -2.285 1.00 0.00 N ATOM 756 CA SER A 51 -10.709 3.445 -1.716 1.00 0.00 C ATOM 757 C SER A 51 -9.652 2.347 -1.840 1.00 0.00 C ATOM 758 O SER A 51 -8.639 2.506 -2.524 1.00 0.00 O ATOM 759 CB SER A 51 -10.921 3.778 -0.240 1.00 0.00 C ATOM 760 OG SER A 51 -12.024 3.065 0.290 1.00 0.00 O ATOM 0 H SER A 51 -12.785 3.177 -1.668 1.00 0.00 H new ATOM 0 HA SER A 51 -10.353 4.317 -2.264 1.00 0.00 H new ATOM 0 HB2 SER A 51 -10.021 3.534 0.324 1.00 0.00 H new ATOM 0 HB3 SER A 51 -11.088 4.849 -0.126 1.00 0.00 H new ATOM 0 HG SER A 51 -11.704 2.400 0.935 1.00 0.00 H new ATOM 766 N GLU A 52 -9.889 1.242 -1.148 1.00 0.00 N ATOM 767 CA GLU A 52 -8.963 0.115 -1.152 1.00 0.00 C ATOM 768 C GLU A 52 -8.610 -0.341 -2.571 1.00 0.00 C ATOM 769 O GLU A 52 -7.444 -0.307 -2.965 1.00 0.00 O ATOM 770 CB GLU A 52 -9.533 -1.069 -0.356 1.00 0.00 C ATOM 771 CG GLU A 52 -11.037 -1.026 -0.128 1.00 0.00 C ATOM 772 CD GLU A 52 -11.409 -0.368 1.187 1.00 0.00 C ATOM 773 OE1 GLU A 52 -11.275 0.870 1.290 1.00 0.00 O ATOM 774 OE2 GLU A 52 -11.834 -1.090 2.113 1.00 0.00 O ATOM 0 H GLU A 52 -10.719 1.100 -0.573 1.00 0.00 H new ATOM 0 HA GLU A 52 -8.048 0.464 -0.673 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -9.286 -1.992 -0.880 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -9.035 -1.110 0.613 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -11.510 -0.485 -0.947 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -11.433 -2.041 -0.147 1.00 0.00 H new ATOM 781 N LYS A 53 -9.610 -0.794 -3.329 1.00 0.00 N ATOM 782 CA LYS A 53 -9.376 -1.284 -4.691 1.00 0.00 C ATOM 783 C LYS A 53 -8.487 -0.341 -5.504 1.00 0.00 C ATOM 784 O LYS A 53 -7.425 -0.748 -5.975 1.00 0.00 O ATOM 785 CB LYS A 53 -10.694 -1.523 -5.431 1.00 0.00 C ATOM 786 CG LYS A 53 -11.743 -0.454 -5.179 1.00 0.00 C ATOM 787 CD LYS A 53 -12.717 -0.274 -6.347 1.00 0.00 C ATOM 788 CE LYS A 53 -12.752 -1.470 -7.292 1.00 0.00 C ATOM 789 NZ LYS A 53 -11.768 -1.328 -8.402 1.00 0.00 N ATOM 0 H LYS A 53 -10.584 -0.832 -3.027 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.850 -2.233 -4.588 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -10.494 -1.577 -6.501 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -11.097 -2.491 -5.133 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -12.306 -0.712 -4.282 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -11.245 0.495 -4.981 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -13.718 -0.102 -5.953 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -12.438 0.617 -6.910 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -12.540 -2.381 -6.733 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -13.754 -1.576 -7.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -12.267 -1.355 -9.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -11.267 -0.421 -8.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -11.082 -2.109 -8.360 1.00 0.00 H new ATOM 803 N VAL A 54 -8.910 0.914 -5.678 1.00 0.00 N ATOM 804 CA VAL A 54 -8.127 1.867 -6.440 1.00 0.00 C ATOM 805 C VAL A 54 -6.694 1.915 -5.932 1.00 0.00 C ATOM 806 O VAL A 54 -5.744 1.852 -6.713 1.00 0.00 O ATOM 807 CB VAL A 54 -8.740 3.273 -6.380 1.00 0.00 C ATOM 808 CG1 VAL A 54 -10.045 3.325 -7.159 1.00 0.00 C ATOM 809 CG2 VAL A 54 -8.950 3.718 -4.945 1.00 0.00 C ATOM 0 H VAL A 54 -9.783 1.283 -5.302 1.00 0.00 H new ATOM 0 HA VAL A 54 -8.130 1.532 -7.477 1.00 0.00 H new ATOM 0 HB VAL A 54 -8.037 3.965 -6.844 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -10.462 4.330 -7.103 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -9.857 3.067 -8.201 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -10.752 2.614 -6.732 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -9.385 4.717 -4.934 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -9.624 3.023 -4.443 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -7.992 3.734 -4.425 1.00 0.00 H new ATOM 819 N PHE A 55 -6.546 2.009 -4.616 1.00 0.00 N ATOM 820 CA PHE A 55 -5.225 2.045 -4.004 1.00 0.00 C ATOM 821 C PHE A 55 -4.421 0.806 -4.391 1.00 0.00 C ATOM 822 O PHE A 55 -3.259 0.910 -4.781 1.00 0.00 O ATOM 823 CB PHE A 55 -5.342 2.138 -2.482 1.00 0.00 C ATOM 824 CG PHE A 55 -4.273 2.982 -1.841 1.00 0.00 C ATOM 825 CD1 PHE A 55 -3.007 3.073 -2.400 1.00 0.00 C ATOM 826 CD2 PHE A 55 -4.537 3.682 -0.677 1.00 0.00 C ATOM 827 CE1 PHE A 55 -2.028 3.847 -1.807 1.00 0.00 C ATOM 828 CE2 PHE A 55 -3.562 4.458 -0.079 1.00 0.00 C ATOM 829 CZ PHE A 55 -2.305 4.540 -0.645 1.00 0.00 C ATOM 0 H PHE A 55 -7.321 2.061 -3.955 1.00 0.00 H new ATOM 0 HA PHE A 55 -4.704 2.929 -4.371 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -6.319 2.549 -2.226 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -5.299 1.133 -2.062 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -2.784 2.533 -3.308 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -5.518 3.621 -0.230 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -1.046 3.910 -2.252 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -3.783 4.999 0.829 1.00 0.00 H new ATOM 0 HZ PHE A 55 -1.540 5.145 -0.180 1.00 0.00 H new ATOM 839 N ALA A 56 -5.051 -0.366 -4.292 1.00 0.00 N ATOM 840 CA ALA A 56 -4.389 -1.620 -4.644 1.00 0.00 C ATOM 841 C ALA A 56 -3.837 -1.557 -6.060 1.00 0.00 C ATOM 842 O ALA A 56 -2.665 -1.850 -6.294 1.00 0.00 O ATOM 843 CB ALA A 56 -5.347 -2.797 -4.510 1.00 0.00 C ATOM 0 H ALA A 56 -6.014 -0.471 -3.972 1.00 0.00 H new ATOM 0 HA ALA A 56 -3.561 -1.766 -3.951 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.831 -3.719 -4.778 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -5.699 -2.864 -3.481 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -6.198 -2.651 -5.176 1.00 0.00 H new ATOM 849 N GLN A 57 -4.688 -1.163 -7.003 1.00 0.00 N ATOM 850 CA GLN A 57 -4.276 -1.054 -8.396 1.00 0.00 C ATOM 851 C GLN A 57 -3.100 -0.091 -8.529 1.00 0.00 C ATOM 852 O GLN A 57 -2.163 -0.339 -9.287 1.00 0.00 O ATOM 853 CB GLN A 57 -5.444 -0.580 -9.263 1.00 0.00 C ATOM 854 CG GLN A 57 -6.647 -1.508 -9.221 1.00 0.00 C ATOM 855 CD GLN A 57 -6.714 -2.430 -10.423 1.00 0.00 C ATOM 856 OE1 GLN A 57 -7.637 -2.346 -11.234 1.00 0.00 O ATOM 857 NE2 GLN A 57 -5.733 -3.317 -10.544 1.00 0.00 N ATOM 0 H GLN A 57 -5.662 -0.915 -6.828 1.00 0.00 H new ATOM 0 HA GLN A 57 -3.962 -2.040 -8.740 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.750 0.413 -8.935 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -5.105 -0.484 -10.294 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -6.608 -2.106 -8.311 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -7.559 -0.913 -9.173 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -4.988 -3.351 -9.848 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -5.725 -3.964 -11.333 1.00 0.00 H new ATOM 866 N THR A 58 -3.155 1.005 -7.779 1.00 0.00 N ATOM 867 CA THR A 58 -2.094 2.004 -7.808 1.00 0.00 C ATOM 868 C THR A 58 -0.803 1.446 -7.221 1.00 0.00 C ATOM 869 O THR A 58 0.201 1.317 -7.922 1.00 0.00 O ATOM 870 CB THR A 58 -2.514 3.255 -7.041 1.00 0.00 C ATOM 871 OG1 THR A 58 -3.911 3.462 -7.142 1.00 0.00 O ATOM 872 CG2 THR A 58 -1.825 4.509 -7.532 1.00 0.00 C ATOM 0 H THR A 58 -3.923 1.223 -7.144 1.00 0.00 H new ATOM 0 HA THR A 58 -1.915 2.270 -8.850 1.00 0.00 H new ATOM 0 HB THR A 58 -2.219 3.076 -6.007 1.00 0.00 H new ATOM 0 HG1 THR A 58 -4.368 2.956 -6.438 1.00 0.00 H new ATOM 0 HG21 THR A 58 -2.165 5.364 -6.947 1.00 0.00 H new ATOM 0 HG22 THR A 58 -0.746 4.399 -7.420 1.00 0.00 H new ATOM 0 HG23 THR A 58 -2.066 4.669 -8.583 1.00 0.00 H new ATOM 880 N VAL A 59 -0.831 1.112 -5.932 1.00 0.00 N ATOM 881 CA VAL A 59 0.345 0.566 -5.268 1.00 0.00 C ATOM 882 C VAL A 59 0.877 -0.635 -6.037 1.00 0.00 C ATOM 883 O VAL A 59 2.085 -0.793 -6.200 1.00 0.00 O ATOM 884 CB VAL A 59 0.054 0.151 -3.808 1.00 0.00 C ATOM 885 CG1 VAL A 59 -0.973 -0.969 -3.747 1.00 0.00 C ATOM 886 CG2 VAL A 59 1.337 -0.274 -3.110 1.00 0.00 C ATOM 0 H VAL A 59 -1.650 1.210 -5.332 1.00 0.00 H new ATOM 0 HA VAL A 59 1.094 1.358 -5.249 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.359 1.017 -3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 59 -1.156 -1.238 -2.707 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -1.904 -0.634 -4.204 1.00 0.00 H new ATOM 0 HG13 VAL A 59 -0.596 -1.838 -4.286 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.114 -0.563 -2.083 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.775 -1.121 -3.638 1.00 0.00 H new ATOM 0 HG23 VAL A 59 2.043 0.557 -3.108 1.00 0.00 H new ATOM 896 N LEU A 60 -0.038 -1.473 -6.519 1.00 0.00 N ATOM 897 CA LEU A 60 0.338 -2.653 -7.282 1.00 0.00 C ATOM 898 C LEU A 60 1.024 -2.258 -8.585 1.00 0.00 C ATOM 899 O LEU A 60 1.980 -2.902 -9.016 1.00 0.00 O ATOM 900 CB LEU A 60 -0.889 -3.511 -7.585 1.00 0.00 C ATOM 901 CG LEU A 60 -0.629 -4.657 -8.561 1.00 0.00 C ATOM 902 CD1 LEU A 60 -0.653 -5.995 -7.842 1.00 0.00 C ATOM 903 CD2 LEU A 60 -1.639 -4.636 -9.699 1.00 0.00 C ATOM 0 H LEU A 60 -1.043 -1.354 -6.393 1.00 0.00 H new ATOM 0 HA LEU A 60 1.036 -3.233 -6.679 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -1.269 -3.924 -6.651 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -1.673 -2.873 -7.993 1.00 0.00 H new ATOM 0 HG LEU A 60 0.365 -4.520 -8.987 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -0.465 -6.796 -8.557 1.00 0.00 H new ATOM 0 HD12 LEU A 60 0.118 -6.008 -7.072 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -1.629 -6.142 -7.380 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -1.435 -5.461 -10.382 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -2.646 -4.741 -9.294 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.561 -3.691 -10.237 1.00 0.00 H new ATOM 915 N SER A 61 0.531 -1.200 -9.212 1.00 0.00 N ATOM 916 CA SER A 61 1.111 -0.729 -10.460 1.00 0.00 C ATOM 917 C SER A 61 2.455 -0.063 -10.196 1.00 0.00 C ATOM 918 O SER A 61 3.433 -0.317 -10.899 1.00 0.00 O ATOM 919 CB SER A 61 0.174 0.249 -11.163 1.00 0.00 C ATOM 920 OG SER A 61 -1.061 -0.368 -11.485 1.00 0.00 O ATOM 0 H SER A 61 -0.264 -0.655 -8.879 1.00 0.00 H new ATOM 0 HA SER A 61 1.260 -1.590 -11.111 1.00 0.00 H new ATOM 0 HB2 SER A 61 -0.004 1.112 -10.521 1.00 0.00 H new ATOM 0 HB3 SER A 61 0.647 0.620 -12.072 1.00 0.00 H new ATOM 0 HG SER A 61 -1.521 -0.629 -10.660 1.00 0.00 H new ATOM 926 N HIS A 62 2.503 0.782 -9.164 1.00 0.00 N ATOM 927 CA HIS A 62 3.737 1.466 -8.800 1.00 0.00 C ATOM 928 C HIS A 62 4.863 0.454 -8.656 1.00 0.00 C ATOM 929 O HIS A 62 5.908 0.575 -9.295 1.00 0.00 O ATOM 930 CB HIS A 62 3.558 2.237 -7.490 1.00 0.00 C ATOM 931 CG HIS A 62 2.883 3.562 -7.660 1.00 0.00 C ATOM 932 ND1 HIS A 62 3.468 4.627 -8.312 1.00 0.00 N ATOM 933 CD2 HIS A 62 1.664 3.992 -7.255 1.00 0.00 C ATOM 934 CE1 HIS A 62 2.638 5.657 -8.301 1.00 0.00 C ATOM 935 NE2 HIS A 62 1.537 5.296 -7.666 1.00 0.00 N ATOM 0 H HIS A 62 1.704 1.006 -8.571 1.00 0.00 H new ATOM 0 HA HIS A 62 3.988 2.176 -9.588 1.00 0.00 H new ATOM 0 HB2 HIS A 62 2.976 1.629 -6.797 1.00 0.00 H new ATOM 0 HB3 HIS A 62 4.536 2.393 -7.034 1.00 0.00 H new ATOM 0 HD2 HIS A 62 0.930 3.417 -6.711 1.00 0.00 H new ATOM 0 HE1 HIS A 62 2.828 6.627 -8.736 1.00 0.00 H new ATOM 0 HE2 HIS A 62 0.724 5.890 -7.507 1.00 0.00 H new ATOM 944 N VAL A 63 4.635 -0.556 -7.820 1.00 0.00 N ATOM 945 CA VAL A 63 5.632 -1.602 -7.607 1.00 0.00 C ATOM 946 C VAL A 63 6.057 -2.224 -8.934 1.00 0.00 C ATOM 947 O VAL A 63 7.118 -1.903 -9.471 1.00 0.00 O ATOM 948 CB VAL A 63 5.136 -2.736 -6.671 1.00 0.00 C ATOM 949 CG1 VAL A 63 5.517 -2.455 -5.231 1.00 0.00 C ATOM 950 CG2 VAL A 63 3.635 -2.953 -6.791 1.00 0.00 C ATOM 0 H VAL A 63 3.776 -0.672 -7.283 1.00 0.00 H new ATOM 0 HA VAL A 63 6.477 -1.109 -7.126 1.00 0.00 H new ATOM 0 HB VAL A 63 5.629 -3.654 -6.989 1.00 0.00 H new ATOM 0 HG11 VAL A 63 5.158 -3.264 -4.595 1.00 0.00 H new ATOM 0 HG12 VAL A 63 6.602 -2.383 -5.149 1.00 0.00 H new ATOM 0 HG13 VAL A 63 5.066 -1.515 -4.912 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.329 -3.755 -6.120 1.00 0.00 H new ATOM 0 HG22 VAL A 63 3.112 -2.035 -6.522 1.00 0.00 H new ATOM 0 HG23 VAL A 63 3.388 -3.224 -7.817 1.00 0.00 H new ATOM 960 N ALA A 64 5.221 -3.115 -9.457 1.00 0.00 N ATOM 961 CA ALA A 64 5.501 -3.785 -10.716 1.00 0.00 C ATOM 962 C ALA A 64 6.790 -4.605 -10.636 1.00 0.00 C ATOM 963 O ALA A 64 7.348 -4.980 -11.666 1.00 0.00 O ATOM 964 CB ALA A 64 5.595 -2.765 -11.841 1.00 0.00 C ATOM 0 H ALA A 64 4.340 -3.389 -9.023 1.00 0.00 H new ATOM 0 HA ALA A 64 4.680 -4.472 -10.923 1.00 0.00 H new ATOM 0 HB1 ALA A 64 5.805 -3.277 -12.780 1.00 0.00 H new ATOM 0 HB2 ALA A 64 4.651 -2.227 -11.924 1.00 0.00 H new ATOM 0 HB3 ALA A 64 6.397 -2.059 -11.626 1.00 0.00 H new ATOM 970 N ASN A 65 7.254 -4.879 -9.405 1.00 0.00 N ATOM 971 CA ASN A 65 8.485 -5.655 -9.171 1.00 0.00 C ATOM 972 C ASN A 65 9.126 -5.274 -7.835 1.00 0.00 C ATOM 973 O ASN A 65 9.167 -6.076 -6.902 1.00 0.00 O ATOM 974 CB ASN A 65 9.510 -5.437 -10.292 1.00 0.00 C ATOM 975 CG ASN A 65 9.592 -6.618 -11.244 1.00 0.00 C ATOM 976 OD1 ASN A 65 8.451 -7.238 -11.530 1.00 0.00 O flip ATOM 977 ND2 ASN A 65 10.672 -6.971 -11.718 1.00 0.00 N flip ATOM 0 H ASN A 65 6.791 -4.572 -8.550 1.00 0.00 H new ATOM 0 HA ASN A 65 8.197 -6.706 -9.153 1.00 0.00 H new ATOM 0 HB2 ASN A 65 9.245 -4.540 -10.853 1.00 0.00 H new ATOM 0 HB3 ASN A 65 10.492 -5.260 -9.853 1.00 0.00 H new ATOM 0 HD21 ASN A 65 11.525 -6.468 -11.473 1.00 0.00 H new ATOM 0 HD22 ASN A 65 10.714 -7.766 -12.356 1.00 0.00 H new ATOM 984 N VAL A 66 9.639 -4.043 -7.766 1.00 0.00 N ATOM 985 CA VAL A 66 10.298 -3.525 -6.564 1.00 0.00 C ATOM 986 C VAL A 66 11.334 -4.496 -6.017 1.00 0.00 C ATOM 987 O VAL A 66 11.758 -5.420 -6.713 1.00 0.00 O ATOM 988 CB VAL A 66 9.285 -3.165 -5.467 1.00 0.00 C ATOM 989 CG1 VAL A 66 8.303 -2.153 -6.005 1.00 0.00 C ATOM 990 CG2 VAL A 66 8.566 -4.402 -4.949 1.00 0.00 C ATOM 0 H VAL A 66 9.610 -3.379 -8.539 1.00 0.00 H new ATOM 0 HA VAL A 66 10.813 -2.614 -6.869 1.00 0.00 H new ATOM 0 HB VAL A 66 9.821 -2.730 -4.623 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.583 -1.896 -5.228 1.00 0.00 H new ATOM 0 HG12 VAL A 66 8.838 -1.256 -6.315 1.00 0.00 H new ATOM 0 HG13 VAL A 66 7.777 -2.576 -6.861 1.00 0.00 H new ATOM 0 HG21 VAL A 66 7.856 -4.113 -4.174 1.00 0.00 H new ATOM 0 HG22 VAL A 66 8.032 -4.883 -5.769 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.294 -5.098 -4.533 1.00 0.00 H new ATOM 1000 N VAL A 67 11.761 -4.270 -4.777 1.00 0.00 N ATOM 1001 CA VAL A 67 12.760 -5.099 -4.164 1.00 0.00 C ATOM 1002 C VAL A 67 12.599 -5.112 -2.653 1.00 0.00 C ATOM 1003 O VAL A 67 13.553 -4.881 -1.909 1.00 0.00 O ATOM 1004 CB VAL A 67 14.151 -4.579 -4.496 1.00 0.00 C ATOM 1005 CG1 VAL A 67 14.499 -4.791 -5.961 1.00 0.00 C ATOM 1006 CG2 VAL A 67 14.296 -3.125 -4.090 1.00 0.00 C ATOM 0 H VAL A 67 11.420 -3.512 -4.186 1.00 0.00 H new ATOM 0 HA VAL A 67 12.635 -6.110 -4.552 1.00 0.00 H new ATOM 0 HB VAL A 67 14.868 -5.160 -3.915 1.00 0.00 H new ATOM 0 HG11 VAL A 67 15.500 -4.406 -6.157 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.468 -5.856 -6.192 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.779 -4.263 -6.586 1.00 0.00 H new ATOM 0 HG21 VAL A 67 15.299 -2.776 -4.338 1.00 0.00 H new ATOM 0 HG22 VAL A 67 13.560 -2.523 -4.624 1.00 0.00 H new ATOM 0 HG23 VAL A 67 14.133 -3.029 -3.017 1.00 0.00 H new ATOM 1016 N LEU A 68 11.383 -5.371 -2.208 1.00 0.00 N ATOM 1017 CA LEU A 68 11.071 -5.407 -0.789 1.00 0.00 C ATOM 1018 C LEU A 68 12.131 -6.143 0.018 1.00 0.00 C ATOM 1019 O LEU A 68 12.185 -7.369 0.023 1.00 0.00 O ATOM 1020 CB LEU A 68 9.707 -6.063 -0.581 1.00 0.00 C ATOM 1021 CG LEU A 68 8.586 -5.487 -1.446 1.00 0.00 C ATOM 1022 CD1 LEU A 68 8.031 -6.551 -2.375 1.00 0.00 C ATOM 1023 CD2 LEU A 68 7.485 -4.899 -0.577 1.00 0.00 C ATOM 0 H LEU A 68 10.586 -5.562 -2.816 1.00 0.00 H new ATOM 0 HA LEU A 68 11.050 -4.378 -0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 68 9.796 -7.130 -0.787 1.00 0.00 H new ATOM 0 HB3 LEU A 68 9.427 -5.964 0.468 1.00 0.00 H new ATOM 0 HG LEU A 68 9.000 -4.684 -2.056 1.00 0.00 H new ATOM 0 HD11 LEU A 68 7.234 -6.123 -2.983 1.00 0.00 H new ATOM 0 HD12 LEU A 68 8.826 -6.918 -3.024 1.00 0.00 H new ATOM 0 HD13 LEU A 68 7.634 -7.377 -1.786 1.00 0.00 H new ATOM 0 HD21 LEU A 68 6.697 -4.494 -1.212 1.00 0.00 H new ATOM 0 HD22 LEU A 68 7.071 -5.678 0.063 1.00 0.00 H new ATOM 0 HD23 LEU A 68 7.897 -4.102 0.042 1.00 0.00 H new ATOM 1035 N THR A 69 12.961 -5.381 0.718 1.00 0.00 N ATOM 1036 CA THR A 69 14.004 -5.961 1.548 1.00 0.00 C ATOM 1037 C THR A 69 13.382 -6.614 2.776 1.00 0.00 C ATOM 1038 O THR A 69 12.174 -6.844 2.819 1.00 0.00 O ATOM 1039 CB THR A 69 15.011 -4.887 1.967 1.00 0.00 C ATOM 1040 OG1 THR A 69 14.471 -4.062 2.984 1.00 0.00 O ATOM 1041 CG2 THR A 69 15.438 -3.989 0.824 1.00 0.00 C ATOM 0 H THR A 69 12.931 -4.361 0.727 1.00 0.00 H new ATOM 0 HA THR A 69 14.533 -6.721 0.973 1.00 0.00 H new ATOM 0 HB THR A 69 15.884 -5.433 2.325 1.00 0.00 H new ATOM 0 HG1 THR A 69 15.130 -3.383 3.239 1.00 0.00 H new ATOM 0 HG21 THR A 69 16.152 -3.250 1.189 1.00 0.00 H new ATOM 0 HG22 THR A 69 15.905 -4.590 0.044 1.00 0.00 H new ATOM 0 HG23 THR A 69 14.565 -3.479 0.416 1.00 0.00 H new ATOM 1049 N GLN A 70 14.204 -6.910 3.773 1.00 0.00 N ATOM 1050 CA GLN A 70 13.718 -7.534 4.997 1.00 0.00 C ATOM 1051 C GLN A 70 12.624 -6.680 5.646 1.00 0.00 C ATOM 1052 O GLN A 70 11.669 -7.206 6.226 1.00 0.00 O ATOM 1053 CB GLN A 70 14.890 -7.750 5.966 1.00 0.00 C ATOM 1054 CG GLN A 70 14.489 -7.823 7.434 1.00 0.00 C ATOM 1055 CD GLN A 70 14.354 -6.453 8.071 1.00 0.00 C ATOM 1056 OE1 GLN A 70 13.278 -6.074 8.533 1.00 0.00 O ATOM 1057 NE2 GLN A 70 15.449 -5.702 8.098 1.00 0.00 N ATOM 0 H GLN A 70 15.208 -6.729 3.759 1.00 0.00 H new ATOM 0 HA GLN A 70 13.280 -8.501 4.751 1.00 0.00 H new ATOM 0 HB2 GLN A 70 15.403 -8.673 5.696 1.00 0.00 H new ATOM 0 HB3 GLN A 70 15.606 -6.938 5.838 1.00 0.00 H new ATOM 0 HG2 GLN A 70 13.542 -8.355 7.522 1.00 0.00 H new ATOM 0 HG3 GLN A 70 15.232 -8.402 7.981 1.00 0.00 H new ATOM 0 HE21 GLN A 70 16.320 -6.056 7.703 1.00 0.00 H new ATOM 0 HE22 GLN A 70 15.419 -4.771 8.514 1.00 0.00 H new ATOM 1066 N GLU A 71 12.763 -5.363 5.532 1.00 0.00 N ATOM 1067 CA GLU A 71 11.791 -4.438 6.102 1.00 0.00 C ATOM 1068 C GLU A 71 10.487 -4.491 5.322 1.00 0.00 C ATOM 1069 O GLU A 71 9.408 -4.635 5.897 1.00 0.00 O ATOM 1070 CB GLU A 71 12.351 -3.013 6.097 1.00 0.00 C ATOM 1071 CG GLU A 71 12.458 -2.397 7.483 1.00 0.00 C ATOM 1072 CD GLU A 71 11.119 -1.936 8.022 1.00 0.00 C ATOM 1073 OE1 GLU A 71 10.619 -0.891 7.555 1.00 0.00 O ATOM 1074 OE2 GLU A 71 10.569 -2.619 8.911 1.00 0.00 O ATOM 0 H GLU A 71 13.540 -4.912 5.049 1.00 0.00 H new ATOM 0 HA GLU A 71 11.593 -4.735 7.132 1.00 0.00 H new ATOM 0 HB2 GLU A 71 13.338 -3.021 5.635 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.714 -2.383 5.477 1.00 0.00 H new ATOM 0 HG2 GLU A 71 12.889 -3.127 8.168 1.00 0.00 H new ATOM 0 HG3 GLU A 71 13.142 -1.549 7.448 1.00 0.00 H new ATOM 1081 N ASP A 72 10.600 -4.378 4.008 1.00 0.00 N ATOM 1082 CA ASP A 72 9.440 -4.416 3.135 1.00 0.00 C ATOM 1083 C ASP A 72 8.792 -5.802 3.159 1.00 0.00 C ATOM 1084 O ASP A 72 7.567 -5.929 3.111 1.00 0.00 O ATOM 1085 CB ASP A 72 9.851 -4.037 1.719 1.00 0.00 C ATOM 1086 CG ASP A 72 10.390 -2.622 1.629 1.00 0.00 C ATOM 1087 OD1 ASP A 72 10.305 -1.888 2.636 1.00 0.00 O ATOM 1088 OD2 ASP A 72 10.897 -2.248 0.551 1.00 0.00 O ATOM 0 H ASP A 72 11.489 -4.259 3.522 1.00 0.00 H new ATOM 0 HA ASP A 72 8.704 -3.696 3.493 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.610 -4.735 1.366 1.00 0.00 H new ATOM 0 HB3 ASP A 72 8.992 -4.138 1.056 1.00 0.00 H new ATOM 1093 N THR A 73 9.623 -6.840 3.255 1.00 0.00 N ATOM 1094 CA THR A 73 9.129 -8.215 3.311 1.00 0.00 C ATOM 1095 C THR A 73 8.346 -8.430 4.599 1.00 0.00 C ATOM 1096 O THR A 73 7.275 -9.043 4.598 1.00 0.00 O ATOM 1097 CB THR A 73 10.292 -9.204 3.227 1.00 0.00 C ATOM 1098 OG1 THR A 73 11.086 -8.948 2.082 1.00 0.00 O ATOM 1099 CG2 THR A 73 9.845 -10.648 3.163 1.00 0.00 C ATOM 0 H THR A 73 10.639 -6.755 3.295 1.00 0.00 H new ATOM 0 HA THR A 73 8.469 -8.387 2.461 1.00 0.00 H new ATOM 0 HB THR A 73 10.863 -9.058 4.144 1.00 0.00 H new ATOM 0 HG1 THR A 73 11.571 -8.105 2.202 1.00 0.00 H new ATOM 0 HG21 THR A 73 10.719 -11.297 3.105 1.00 0.00 H new ATOM 0 HG22 THR A 73 9.271 -10.891 4.057 1.00 0.00 H new ATOM 0 HG23 THR A 73 9.223 -10.797 2.281 1.00 0.00 H new ATOM 1107 N ALA A 74 8.862 -7.873 5.692 1.00 0.00 N ATOM 1108 CA ALA A 74 8.183 -7.960 6.975 1.00 0.00 C ATOM 1109 C ALA A 74 6.970 -7.056 6.918 1.00 0.00 C ATOM 1110 O ALA A 74 5.957 -7.285 7.578 1.00 0.00 O ATOM 1111 CB ALA A 74 9.111 -7.556 8.111 1.00 0.00 C ATOM 0 H ALA A 74 9.743 -7.360 5.712 1.00 0.00 H new ATOM 0 HA ALA A 74 7.876 -8.988 7.168 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.579 -7.630 9.059 1.00 0.00 H new ATOM 0 HB2 ALA A 74 9.976 -8.219 8.128 1.00 0.00 H new ATOM 0 HB3 ALA A 74 9.444 -6.529 7.961 1.00 0.00 H new ATOM 1117 N LYS A 75 7.093 -6.038 6.074 1.00 0.00 N ATOM 1118 CA LYS A 75 6.038 -5.079 5.841 1.00 0.00 C ATOM 1119 C LYS A 75 4.780 -5.804 5.375 1.00 0.00 C ATOM 1120 O LYS A 75 3.740 -5.744 6.031 1.00 0.00 O ATOM 1121 CB LYS A 75 6.512 -4.092 4.779 1.00 0.00 C ATOM 1122 CG LYS A 75 6.291 -2.636 5.131 1.00 0.00 C ATOM 1123 CD LYS A 75 7.348 -2.135 6.099 1.00 0.00 C ATOM 1124 CE LYS A 75 8.181 -1.019 5.490 1.00 0.00 C ATOM 1125 NZ LYS A 75 7.660 0.326 5.857 1.00 0.00 N ATOM 0 H LYS A 75 7.938 -5.860 5.531 1.00 0.00 H new ATOM 0 HA LYS A 75 5.802 -4.541 6.759 1.00 0.00 H new ATOM 0 HB2 LYS A 75 7.575 -4.252 4.601 1.00 0.00 H new ATOM 0 HB3 LYS A 75 5.996 -4.309 3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 75 6.312 -2.033 4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.302 -2.513 5.573 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.868 -1.776 7.009 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.999 -2.960 6.387 1.00 0.00 H new ATOM 0 HE2 LYS A 75 9.214 -1.112 5.826 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.188 -1.122 4.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.255 1.059 5.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.683 0.425 5.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.677 0.435 6.891 1.00 0.00 H new ATOM 1139 N LEU A 76 4.888 -6.515 4.249 1.00 0.00 N ATOM 1140 CA LEU A 76 3.752 -7.270 3.730 1.00 0.00 C ATOM 1141 C LEU A 76 3.341 -8.325 4.743 1.00 0.00 C ATOM 1142 O LEU A 76 2.169 -8.446 5.096 1.00 0.00 O ATOM 1143 CB LEU A 76 4.083 -7.966 2.407 1.00 0.00 C ATOM 1144 CG LEU A 76 4.111 -7.061 1.178 1.00 0.00 C ATOM 1145 CD1 LEU A 76 5.538 -6.649 0.852 1.00 0.00 C ATOM 1146 CD2 LEU A 76 3.465 -7.762 -0.011 1.00 0.00 C ATOM 0 H LEU A 76 5.738 -6.582 3.689 1.00 0.00 H new ATOM 0 HA LEU A 76 2.942 -6.563 3.553 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.056 -8.449 2.504 1.00 0.00 H new ATOM 0 HB3 LEU A 76 3.351 -8.756 2.239 1.00 0.00 H new ATOM 0 HG LEU A 76 3.539 -6.159 1.397 1.00 0.00 H new ATOM 0 HD11 LEU A 76 5.539 -6.004 -0.027 1.00 0.00 H new ATOM 0 HD12 LEU A 76 5.963 -6.110 1.698 1.00 0.00 H new ATOM 0 HD13 LEU A 76 6.136 -7.538 0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 76 3.492 -7.104 -0.880 1.00 0.00 H new ATOM 0 HD22 LEU A 76 4.010 -8.679 -0.233 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.430 -8.004 0.228 1.00 0.00 H new ATOM 1158 N LEU A 77 4.334 -9.087 5.207 1.00 0.00 N ATOM 1159 CA LEU A 77 4.111 -10.146 6.186 1.00 0.00 C ATOM 1160 C LEU A 77 3.184 -9.681 7.301 1.00 0.00 C ATOM 1161 O LEU A 77 2.128 -10.269 7.531 1.00 0.00 O ATOM 1162 CB LEU A 77 5.445 -10.605 6.777 1.00 0.00 C ATOM 1163 CG LEU A 77 5.818 -12.051 6.460 1.00 0.00 C ATOM 1164 CD1 LEU A 77 7.291 -12.161 6.100 1.00 0.00 C ATOM 1165 CD2 LEU A 77 5.485 -12.959 7.635 1.00 0.00 C ATOM 0 H LEU A 77 5.306 -8.987 4.916 1.00 0.00 H new ATOM 0 HA LEU A 77 3.635 -10.982 5.674 1.00 0.00 H new ATOM 0 HB2 LEU A 77 6.235 -9.951 6.408 1.00 0.00 H new ATOM 0 HB3 LEU A 77 5.409 -10.482 7.859 1.00 0.00 H new ATOM 0 HG LEU A 77 5.232 -12.373 5.599 1.00 0.00 H new ATOM 0 HD11 LEU A 77 7.535 -13.200 5.878 1.00 0.00 H new ATOM 0 HD12 LEU A 77 7.499 -11.545 5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 77 7.897 -11.817 6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 77 5.758 -13.986 7.390 1.00 0.00 H new ATOM 0 HD22 LEU A 77 6.042 -12.635 8.514 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.416 -12.907 7.843 1.00 0.00 H new ATOM 1177 N GLN A 78 3.586 -8.620 7.989 1.00 0.00 N ATOM 1178 CA GLN A 78 2.787 -8.080 9.075 1.00 0.00 C ATOM 1179 C GLN A 78 1.428 -7.625 8.559 1.00 0.00 C ATOM 1180 O GLN A 78 0.395 -7.902 9.170 1.00 0.00 O ATOM 1181 CB GLN A 78 3.512 -6.911 9.745 1.00 0.00 C ATOM 1182 CG GLN A 78 4.696 -7.338 10.597 1.00 0.00 C ATOM 1183 CD GLN A 78 5.070 -6.301 11.638 1.00 0.00 C ATOM 1184 OE1 GLN A 78 4.746 -6.443 12.817 1.00 0.00 O ATOM 1185 NE2 GLN A 78 5.757 -5.249 11.206 1.00 0.00 N ATOM 0 H GLN A 78 4.457 -8.120 7.813 1.00 0.00 H new ATOM 0 HA GLN A 78 2.637 -8.867 9.814 1.00 0.00 H new ATOM 0 HB2 GLN A 78 3.858 -6.220 8.976 1.00 0.00 H new ATOM 0 HB3 GLN A 78 2.804 -6.365 10.369 1.00 0.00 H new ATOM 0 HG2 GLN A 78 4.460 -8.278 11.095 1.00 0.00 H new ATOM 0 HG3 GLN A 78 5.554 -7.526 9.952 1.00 0.00 H new ATOM 0 HE21 GLN A 78 6.005 -5.172 10.220 1.00 0.00 H new ATOM 0 HE22 GLN A 78 6.037 -4.519 11.861 1.00 0.00 H new ATOM 1194 N SER A 79 1.436 -6.933 7.424 1.00 0.00 N ATOM 1195 CA SER A 79 0.203 -6.445 6.818 1.00 0.00 C ATOM 1196 C SER A 79 -0.713 -7.604 6.435 1.00 0.00 C ATOM 1197 O SER A 79 -1.923 -7.431 6.293 1.00 0.00 O ATOM 1198 CB SER A 79 0.517 -5.605 5.579 1.00 0.00 C ATOM 1199 OG SER A 79 -0.466 -4.605 5.378 1.00 0.00 O ATOM 0 H SER A 79 2.283 -6.698 6.906 1.00 0.00 H new ATOM 0 HA SER A 79 -0.310 -5.825 7.553 1.00 0.00 H new ATOM 0 HB2 SER A 79 1.496 -5.139 5.690 1.00 0.00 H new ATOM 0 HB3 SER A 79 0.568 -6.250 4.702 1.00 0.00 H new ATOM 0 HG SER A 79 -0.883 -4.728 4.500 1.00 0.00 H new ATOM 1205 N THR A 80 -0.124 -8.782 6.262 1.00 0.00 N ATOM 1206 CA THR A 80 -0.882 -9.968 5.888 1.00 0.00 C ATOM 1207 C THR A 80 -1.278 -10.782 7.116 1.00 0.00 C ATOM 1208 O THR A 80 -2.389 -11.308 7.192 1.00 0.00 O ATOM 1209 CB THR A 80 -0.058 -10.834 4.936 1.00 0.00 C ATOM 1210 OG1 THR A 80 1.324 -10.722 5.223 1.00 0.00 O ATOM 1211 CG2 THR A 80 -0.255 -10.477 3.478 1.00 0.00 C ATOM 0 H THR A 80 0.877 -8.940 6.375 1.00 0.00 H new ATOM 0 HA THR A 80 -1.794 -9.642 5.388 1.00 0.00 H new ATOM 0 HB THR A 80 -0.412 -11.853 5.095 1.00 0.00 H new ATOM 0 HG1 THR A 80 1.485 -10.972 6.157 1.00 0.00 H new ATOM 0 HG21 THR A 80 0.359 -11.130 2.857 1.00 0.00 H new ATOM 0 HG22 THR A 80 -1.304 -10.604 3.211 1.00 0.00 H new ATOM 0 HG23 THR A 80 0.038 -9.440 3.314 1.00 0.00 H new ATOM 1219 N VAL A 81 -0.362 -10.889 8.073 1.00 0.00 N ATOM 1220 CA VAL A 81 -0.615 -11.648 9.293 1.00 0.00 C ATOM 1221 C VAL A 81 -1.331 -10.807 10.351 1.00 0.00 C ATOM 1222 O VAL A 81 -1.716 -11.320 11.402 1.00 0.00 O ATOM 1223 CB VAL A 81 0.696 -12.200 9.889 1.00 0.00 C ATOM 1224 CG1 VAL A 81 1.611 -11.064 10.330 1.00 0.00 C ATOM 1225 CG2 VAL A 81 0.401 -13.141 11.048 1.00 0.00 C ATOM 0 H VAL A 81 0.562 -10.460 8.028 1.00 0.00 H new ATOM 0 HA VAL A 81 -1.262 -12.478 9.011 1.00 0.00 H new ATOM 0 HB VAL A 81 1.213 -12.766 9.114 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.529 -11.477 10.747 1.00 0.00 H new ATOM 0 HG12 VAL A 81 1.852 -10.437 9.472 1.00 0.00 H new ATOM 0 HG13 VAL A 81 1.107 -10.464 11.087 1.00 0.00 H new ATOM 0 HG21 VAL A 81 1.338 -13.521 11.456 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -0.141 -12.602 11.825 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.205 -13.975 10.694 1.00 0.00 H new ATOM 1235 N LYS A 82 -1.504 -9.516 10.076 1.00 0.00 N ATOM 1236 CA LYS A 82 -2.170 -8.620 11.017 1.00 0.00 C ATOM 1237 C LYS A 82 -3.575 -9.115 11.352 1.00 0.00 C ATOM 1238 O LYS A 82 -3.825 -9.604 12.453 1.00 0.00 O ATOM 1239 CB LYS A 82 -2.238 -7.201 10.448 1.00 0.00 C ATOM 1240 CG LYS A 82 -1.750 -6.136 11.417 1.00 0.00 C ATOM 1241 CD LYS A 82 -0.482 -5.462 10.917 1.00 0.00 C ATOM 1242 CE LYS A 82 0.173 -4.629 12.006 1.00 0.00 C ATOM 1243 NZ LYS A 82 1.073 -5.447 12.865 1.00 0.00 N ATOM 0 H LYS A 82 -1.194 -9.069 9.213 1.00 0.00 H new ATOM 0 HA LYS A 82 -1.584 -8.608 11.936 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -1.641 -7.154 9.538 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -3.267 -6.980 10.166 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -2.529 -5.387 11.558 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -1.563 -6.588 12.391 1.00 0.00 H new ATOM 0 HD2 LYS A 82 0.219 -6.219 10.565 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -0.719 -4.826 10.064 1.00 0.00 H new ATOM 0 HE2 LYS A 82 0.743 -3.819 11.550 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -0.598 -4.168 12.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 1.500 -4.842 13.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 0.525 -6.204 13.320 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.824 -5.867 12.280 1.00 0.00 H new ATOM 1257 N HIS A 83 -4.491 -8.980 10.397 1.00 0.00 N ATOM 1258 CA HIS A 83 -5.872 -9.408 10.597 1.00 0.00 C ATOM 1259 C HIS A 83 -6.263 -10.494 9.598 1.00 0.00 C ATOM 1260 O HIS A 83 -7.378 -10.498 9.077 1.00 0.00 O ATOM 1261 CB HIS A 83 -6.819 -8.214 10.466 1.00 0.00 C ATOM 1262 CG HIS A 83 -8.187 -8.473 11.015 1.00 0.00 C ATOM 1263 ND1 HIS A 83 -9.337 -8.333 10.268 1.00 0.00 N ATOM 1264 CD2 HIS A 83 -8.587 -8.867 12.247 1.00 0.00 C ATOM 1265 CE1 HIS A 83 -10.385 -8.628 11.017 1.00 0.00 C ATOM 1266 NE2 HIS A 83 -9.956 -8.955 12.222 1.00 0.00 N ATOM 0 H HIS A 83 -4.302 -8.578 9.479 1.00 0.00 H new ATOM 0 HA HIS A 83 -5.953 -9.823 11.602 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -6.385 -7.358 10.983 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -6.904 -7.942 9.414 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -7.947 -9.074 13.092 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -11.417 -8.605 10.698 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -10.547 -9.229 13.007 1.00 0.00 H new ATOM 1275 N ASN A 84 -5.340 -11.414 9.338 1.00 0.00 N ATOM 1276 CA ASN A 84 -5.590 -12.507 8.403 1.00 0.00 C ATOM 1277 C ASN A 84 -5.966 -11.973 7.025 1.00 0.00 C ATOM 1278 O ASN A 84 -7.076 -11.483 6.818 1.00 0.00 O ATOM 1279 CB ASN A 84 -6.703 -13.414 8.932 1.00 0.00 C ATOM 1280 CG ASN A 84 -6.227 -14.326 10.045 1.00 0.00 C ATOM 1281 OD1 ASN A 84 -5.312 -13.985 10.794 1.00 0.00 O ATOM 1282 ND2 ASN A 84 -6.846 -15.496 10.157 1.00 0.00 N ATOM 0 H ASN A 84 -4.412 -11.425 9.761 1.00 0.00 H new ATOM 0 HA ASN A 84 -4.671 -13.086 8.309 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -7.526 -12.799 9.297 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.095 -14.018 8.114 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -6.567 -16.153 10.886 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -7.600 -15.738 9.514 1.00 0.00 H new ATOM 1289 N LEU A 85 -5.033 -12.074 6.085 1.00 0.00 N ATOM 1290 CA LEU A 85 -5.264 -11.603 4.724 1.00 0.00 C ATOM 1291 C LEU A 85 -4.062 -11.904 3.836 1.00 0.00 C ATOM 1292 O LEU A 85 -3.085 -11.156 3.821 1.00 0.00 O ATOM 1293 CB LEU A 85 -5.552 -10.100 4.722 1.00 0.00 C ATOM 1294 CG LEU A 85 -4.441 -9.226 5.311 1.00 0.00 C ATOM 1295 CD1 LEU A 85 -3.764 -8.409 4.220 1.00 0.00 C ATOM 1296 CD2 LEU A 85 -4.995 -8.312 6.395 1.00 0.00 C ATOM 0 H LEU A 85 -4.109 -12.478 6.240 1.00 0.00 H new ATOM 0 HA LEU A 85 -6.130 -12.130 4.325 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -5.738 -9.783 3.696 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -6.470 -9.921 5.282 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.695 -9.881 5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.978 -7.795 4.660 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -3.329 -9.080 3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -4.500 -7.765 3.738 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -4.190 -7.699 6.801 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -5.763 -7.666 5.969 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -5.429 -8.915 7.192 1.00 0.00 H new ATOM 1308 N ASN A 86 -4.140 -13.006 3.098 1.00 0.00 N ATOM 1309 CA ASN A 86 -3.059 -13.409 2.206 1.00 0.00 C ATOM 1310 C ASN A 86 -3.341 -12.964 0.773 1.00 0.00 C ATOM 1311 O ASN A 86 -2.929 -13.623 -0.183 1.00 0.00 O ATOM 1312 CB ASN A 86 -2.875 -14.927 2.253 1.00 0.00 C ATOM 1313 CG ASN A 86 -1.417 -15.338 2.166 1.00 0.00 C ATOM 1314 OD1 ASN A 86 -0.522 -14.494 2.168 1.00 0.00 O ATOM 1315 ND2 ASN A 86 -1.173 -16.641 2.088 1.00 0.00 N ATOM 0 H ASN A 86 -4.942 -13.637 3.100 1.00 0.00 H new ATOM 0 HA ASN A 86 -2.142 -12.926 2.543 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -3.304 -15.313 3.178 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -3.427 -15.382 1.431 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -0.212 -16.977 2.027 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -1.947 -17.306 2.090 1.00 0.00 H new ATOM 1322 N ASN A 87 -4.047 -11.846 0.629 1.00 0.00 N ATOM 1323 CA ASN A 87 -4.384 -11.320 -0.688 1.00 0.00 C ATOM 1324 C ASN A 87 -3.135 -10.868 -1.441 1.00 0.00 C ATOM 1325 O ASN A 87 -3.165 -10.696 -2.664 1.00 0.00 O ATOM 1326 CB ASN A 87 -5.372 -10.159 -0.562 1.00 0.00 C ATOM 1327 CG ASN A 87 -4.802 -8.992 0.217 1.00 0.00 C ATOM 1328 OD1 ASN A 87 -4.154 -9.175 1.247 1.00 0.00 O ATOM 1329 ND2 ASN A 87 -5.045 -7.782 -0.272 1.00 0.00 N ATOM 0 H ASN A 87 -4.396 -11.288 1.408 1.00 0.00 H new ATOM 0 HA ASN A 87 -4.851 -12.123 -1.258 1.00 0.00 H new ATOM 0 HB2 ASN A 87 -5.659 -9.821 -1.558 1.00 0.00 H new ATOM 0 HB3 ASN A 87 -6.279 -10.510 -0.071 1.00 0.00 H new ATOM 0 HD21 ASN A 87 -4.689 -6.956 0.210 1.00 0.00 H new ATOM 0 HD22 ASN A 87 -5.587 -7.678 -1.130 1.00 0.00 H new ATOM 1336 N TYR A 88 -2.031 -10.678 -0.720 1.00 0.00 N ATOM 1337 CA TYR A 88 -0.796 -10.259 -1.348 1.00 0.00 C ATOM 1338 C TYR A 88 0.110 -11.457 -1.586 1.00 0.00 C ATOM 1339 O TYR A 88 0.225 -12.340 -0.736 1.00 0.00 O ATOM 1340 CB TYR A 88 -0.072 -9.227 -0.480 1.00 0.00 C ATOM 1341 CG TYR A 88 -0.571 -7.812 -0.664 1.00 0.00 C ATOM 1342 CD1 TYR A 88 -1.780 -7.404 -0.117 1.00 0.00 C ATOM 1343 CD2 TYR A 88 0.171 -6.884 -1.383 1.00 0.00 C ATOM 1344 CE1 TYR A 88 -2.237 -6.110 -0.284 1.00 0.00 C ATOM 1345 CE2 TYR A 88 -0.280 -5.590 -1.554 1.00 0.00 C ATOM 1346 CZ TYR A 88 -1.483 -5.208 -1.003 1.00 0.00 C ATOM 1347 OH TYR A 88 -1.933 -3.920 -1.171 1.00 0.00 O ATOM 0 H TYR A 88 -1.974 -10.808 0.290 1.00 0.00 H new ATOM 0 HA TYR A 88 -1.041 -9.802 -2.307 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -0.182 -9.507 0.568 1.00 0.00 H new ATOM 0 HB3 TYR A 88 0.993 -9.258 -0.708 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -2.373 -8.108 0.448 1.00 0.00 H new ATOM 0 HD2 TYR A 88 1.116 -7.179 -1.815 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -3.180 -5.808 0.147 1.00 0.00 H new ATOM 0 HE2 TYR A 88 0.308 -4.881 -2.117 1.00 0.00 H new ATOM 0 HH TYR A 88 -1.196 -3.354 -1.484 1.00 0.00 H new ATOM 1357 N ASP A 89 0.763 -11.479 -2.740 1.00 0.00 N ATOM 1358 CA ASP A 89 1.662 -12.546 -3.083 1.00 0.00 C ATOM 1359 C ASP A 89 3.070 -11.958 -3.126 1.00 0.00 C ATOM 1360 O ASP A 89 3.257 -10.782 -3.470 1.00 0.00 O ATOM 1361 CB ASP A 89 1.194 -13.153 -4.411 1.00 0.00 C ATOM 1362 CG ASP A 89 2.316 -13.642 -5.311 1.00 0.00 C ATOM 1363 OD1 ASP A 89 3.369 -14.058 -4.783 1.00 0.00 O ATOM 1364 OD2 ASP A 89 2.134 -13.619 -6.547 1.00 0.00 O ATOM 0 H ASP A 89 0.678 -10.756 -3.454 1.00 0.00 H new ATOM 0 HA ASP A 89 1.671 -13.358 -2.356 1.00 0.00 H new ATOM 0 HB2 ASP A 89 0.526 -13.988 -4.199 1.00 0.00 H new ATOM 0 HB3 ASP A 89 0.611 -12.407 -4.951 1.00 0.00 H new ATOM 1369 N LEU A 90 4.051 -12.730 -2.718 1.00 0.00 N ATOM 1370 CA LEU A 90 5.406 -12.199 -2.661 1.00 0.00 C ATOM 1371 C LEU A 90 6.481 -13.148 -3.172 1.00 0.00 C ATOM 1372 O LEU A 90 6.579 -14.301 -2.752 1.00 0.00 O ATOM 1373 CB LEU A 90 5.744 -11.803 -1.217 1.00 0.00 C ATOM 1374 CG LEU A 90 5.338 -10.386 -0.803 1.00 0.00 C ATOM 1375 CD1 LEU A 90 5.473 -10.212 0.702 1.00 0.00 C ATOM 1376 CD2 LEU A 90 6.185 -9.360 -1.536 1.00 0.00 C ATOM 0 H LEU A 90 3.949 -13.702 -2.427 1.00 0.00 H new ATOM 0 HA LEU A 90 5.411 -11.338 -3.329 1.00 0.00 H new ATOM 0 HB2 LEU A 90 5.261 -12.511 -0.543 1.00 0.00 H new ATOM 0 HB3 LEU A 90 6.819 -11.909 -1.073 1.00 0.00 H new ATOM 0 HG LEU A 90 4.294 -10.231 -1.074 1.00 0.00 H new ATOM 0 HD11 LEU A 90 5.180 -9.199 0.979 1.00 0.00 H new ATOM 0 HD12 LEU A 90 4.827 -10.928 1.210 1.00 0.00 H new ATOM 0 HD13 LEU A 90 6.508 -10.384 0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 90 5.886 -8.357 -1.232 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.236 -9.515 -1.292 1.00 0.00 H new ATOM 0 HD23 LEU A 90 6.042 -9.471 -2.611 1.00 0.00 H new ATOM 1388 N ARG A 91 7.341 -12.591 -4.017 1.00 0.00 N ATOM 1389 CA ARG A 91 8.500 -13.292 -4.540 1.00 0.00 C ATOM 1390 C ARG A 91 9.691 -12.717 -3.786 1.00 0.00 C ATOM 1391 O ARG A 91 9.528 -11.698 -3.112 1.00 0.00 O ATOM 1392 CB ARG A 91 8.640 -13.083 -6.050 1.00 0.00 C ATOM 1393 CG ARG A 91 9.670 -13.996 -6.699 1.00 0.00 C ATOM 1394 CD ARG A 91 9.119 -14.663 -7.950 1.00 0.00 C ATOM 1395 NE ARG A 91 9.037 -13.735 -9.076 1.00 0.00 N ATOM 1396 CZ ARG A 91 8.951 -14.116 -10.349 1.00 0.00 C ATOM 1397 NH1 ARG A 91 8.933 -15.406 -10.663 1.00 0.00 N ATOM 1398 NH2 ARG A 91 8.882 -13.206 -11.310 1.00 0.00 N ATOM 0 H ARG A 91 7.250 -11.634 -4.359 1.00 0.00 H new ATOM 0 HA ARG A 91 8.418 -14.370 -4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.672 -13.248 -6.522 1.00 0.00 H new ATOM 0 HB3 ARG A 91 8.915 -12.046 -6.241 1.00 0.00 H new ATOM 0 HG2 ARG A 91 10.558 -13.419 -6.955 1.00 0.00 H new ATOM 0 HG3 ARG A 91 9.981 -14.760 -5.986 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.755 -15.506 -8.221 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.128 -15.066 -7.739 1.00 0.00 H new ATOM 0 HE ARG A 91 9.046 -12.735 -8.875 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.985 -16.111 -9.927 1.00 0.00 H new ATOM 0 HH12 ARG A 91 8.867 -15.692 -11.640 1.00 0.00 H new ATOM 0 HH21 ARG A 91 8.895 -12.214 -11.075 1.00 0.00 H new ATOM 0 HH22 ARG A 91 8.816 -13.498 -12.285 1.00 0.00 H new ATOM 1412 N SER A 92 10.863 -13.340 -3.820 1.00 0.00 N ATOM 1413 CA SER A 92 11.957 -12.781 -3.031 1.00 0.00 C ATOM 1414 C SER A 92 13.305 -12.675 -3.730 1.00 0.00 C ATOM 1415 O SER A 92 13.584 -13.300 -4.753 1.00 0.00 O ATOM 1416 CB SER A 92 12.137 -13.569 -1.740 1.00 0.00 C ATOM 1417 OG SER A 92 12.118 -14.966 -1.980 1.00 0.00 O ATOM 0 H SER A 92 11.077 -14.184 -4.352 1.00 0.00 H new ATOM 0 HA SER A 92 11.642 -11.754 -2.843 1.00 0.00 H new ATOM 0 HB2 SER A 92 13.081 -13.292 -1.271 1.00 0.00 H new ATOM 0 HB3 SER A 92 11.344 -13.308 -1.039 1.00 0.00 H new ATOM 0 HG SER A 92 12.237 -15.445 -1.133 1.00 0.00 H new ATOM 1423 N VAL A 93 14.129 -11.866 -3.077 1.00 0.00 N ATOM 1424 CA VAL A 93 15.506 -11.567 -3.443 1.00 0.00 C ATOM 1425 C VAL A 93 16.316 -11.519 -2.148 1.00 0.00 C ATOM 1426 O VAL A 93 17.355 -10.857 -2.035 1.00 0.00 O ATOM 1427 CB VAL A 93 15.643 -10.199 -4.086 1.00 0.00 C ATOM 1428 CG1 VAL A 93 16.822 -10.167 -5.043 1.00 0.00 C ATOM 1429 CG2 VAL A 93 14.363 -9.766 -4.790 1.00 0.00 C ATOM 0 H VAL A 93 13.838 -11.374 -2.232 1.00 0.00 H new ATOM 0 HA VAL A 93 15.846 -12.326 -4.148 1.00 0.00 H new ATOM 0 HB VAL A 93 15.828 -9.484 -3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 93 16.900 -9.177 -5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 93 17.739 -10.392 -4.498 1.00 0.00 H new ATOM 0 HG13 VAL A 93 16.674 -10.910 -5.827 1.00 0.00 H new ATOM 0 HG21 VAL A 93 14.508 -8.782 -5.235 1.00 0.00 H new ATOM 0 HG22 VAL A 93 14.116 -10.485 -5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 93 13.548 -9.721 -4.068 1.00 0.00 H new ATOM 1439 N GLY A 94 15.757 -12.181 -1.162 1.00 0.00 N ATOM 1440 CA GLY A 94 16.325 -12.252 0.158 1.00 0.00 C ATOM 1441 C GLY A 94 16.315 -10.976 0.957 1.00 0.00 C ATOM 1442 O GLY A 94 15.695 -9.981 0.591 1.00 0.00 O ATOM 0 H GLY A 94 14.880 -12.693 -1.259 1.00 0.00 H new ATOM 0 HA2 GLY A 94 15.786 -13.013 0.722 1.00 0.00 H new ATOM 0 HA3 GLY A 94 17.357 -12.592 0.069 1.00 0.00 H new ATOM 1446 N ASN A 95 17.020 -11.039 2.079 1.00 0.00 N ATOM 1447 CA ASN A 95 17.136 -9.918 2.999 1.00 0.00 C ATOM 1448 C ASN A 95 17.494 -8.682 2.217 1.00 0.00 C ATOM 1449 O ASN A 95 17.009 -7.584 2.492 1.00 0.00 O ATOM 1450 CB ASN A 95 18.196 -10.199 4.067 1.00 0.00 C ATOM 1451 CG ASN A 95 17.824 -9.616 5.416 1.00 0.00 C ATOM 1452 OD1 ASN A 95 17.134 -10.253 6.212 1.00 0.00 O ATOM 1453 ND2 ASN A 95 18.281 -8.397 5.679 1.00 0.00 N ATOM 0 H ASN A 95 17.528 -11.872 2.376 1.00 0.00 H new ATOM 0 HA ASN A 95 16.183 -9.769 3.507 1.00 0.00 H new ATOM 0 HB2 ASN A 95 18.333 -11.276 4.165 1.00 0.00 H new ATOM 0 HB3 ASN A 95 19.151 -9.784 3.745 1.00 0.00 H new ATOM 0 HD21 ASN A 95 18.063 -7.952 6.571 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.850 -7.906 4.989 1.00 0.00 H new ATOM 1460 N GLY A 96 18.320 -8.884 1.203 1.00 0.00 N ATOM 1461 CA GLY A 96 18.696 -7.794 0.356 1.00 0.00 C ATOM 1462 C GLY A 96 17.480 -7.246 -0.343 1.00 0.00 C ATOM 1463 O GLY A 96 17.305 -6.030 -0.428 1.00 0.00 O ATOM 0 H GLY A 96 18.731 -9.785 0.959 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.171 -7.010 0.946 1.00 0.00 H new ATOM 0 HA3 GLY A 96 19.429 -8.129 -0.378 1.00 0.00 H new ATOM 1467 N ASN A 97 16.620 -8.141 -0.847 1.00 0.00 N ATOM 1468 CA ASN A 97 15.433 -7.708 -1.522 1.00 0.00 C ATOM 1469 C ASN A 97 14.420 -8.817 -1.708 1.00 0.00 C ATOM 1470 O ASN A 97 14.698 -9.980 -1.499 1.00 0.00 O ATOM 1471 CB ASN A 97 15.748 -7.071 -2.868 1.00 0.00 C ATOM 1472 CG ASN A 97 17.212 -7.169 -3.293 1.00 0.00 C ATOM 1473 OD1 ASN A 97 17.830 -8.333 -3.109 1.00 0.00 O flip ATOM 1474 ND2 ASN A 97 17.783 -6.196 -3.786 1.00 0.00 N flip ATOM 0 H ASN A 97 16.739 -9.153 -0.791 1.00 0.00 H new ATOM 0 HA ASN A 97 14.987 -6.957 -0.869 1.00 0.00 H new ATOM 0 HB2 ASN A 97 15.130 -7.543 -3.632 1.00 0.00 H new ATOM 0 HB3 ASN A 97 15.464 -6.019 -2.833 1.00 0.00 H new ATOM 0 HD21 ASN A 97 17.278 -5.319 -3.913 1.00 0.00 H new ATOM 0 HD22 ASN A 97 18.761 -6.267 -4.068 1.00 0.00 H new ATOM 1481 N SER A 98 13.238 -8.411 -2.106 1.00 0.00 N ATOM 1482 CA SER A 98 12.145 -9.311 -2.367 1.00 0.00 C ATOM 1483 C SER A 98 11.235 -8.651 -3.396 1.00 0.00 C ATOM 1484 O SER A 98 11.181 -7.427 -3.478 1.00 0.00 O ATOM 1485 CB SER A 98 11.411 -9.647 -1.073 1.00 0.00 C ATOM 1486 OG SER A 98 12.322 -9.804 0.002 1.00 0.00 O ATOM 0 H SER A 98 13.007 -7.429 -2.260 1.00 0.00 H new ATOM 0 HA SER A 98 12.506 -10.258 -2.768 1.00 0.00 H new ATOM 0 HB2 SER A 98 10.699 -8.856 -0.838 1.00 0.00 H new ATOM 0 HB3 SER A 98 10.836 -10.564 -1.204 1.00 0.00 H new ATOM 0 HG SER A 98 12.175 -9.095 0.662 1.00 0.00 H new ATOM 1492 N VAL A 99 10.564 -9.441 -4.216 1.00 0.00 N ATOM 1493 CA VAL A 99 9.720 -8.879 -5.265 1.00 0.00 C ATOM 1494 C VAL A 99 8.238 -8.969 -4.909 1.00 0.00 C ATOM 1495 O VAL A 99 7.836 -9.787 -4.082 1.00 0.00 O ATOM 1496 CB VAL A 99 10.006 -9.581 -6.607 1.00 0.00 C ATOM 1497 CG1 VAL A 99 8.934 -9.278 -7.641 1.00 0.00 C ATOM 1498 CG2 VAL A 99 11.376 -9.174 -7.128 1.00 0.00 C ATOM 0 H VAL A 99 10.583 -10.460 -4.180 1.00 0.00 H new ATOM 0 HA VAL A 99 9.963 -7.821 -5.361 1.00 0.00 H new ATOM 0 HB VAL A 99 9.995 -10.656 -6.430 1.00 0.00 H new ATOM 0 HG11 VAL A 99 9.172 -9.791 -8.573 1.00 0.00 H new ATOM 0 HG12 VAL A 99 7.967 -9.622 -7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 99 8.893 -8.203 -7.819 1.00 0.00 H new ATOM 0 HG21 VAL A 99 11.568 -9.676 -8.076 1.00 0.00 H new ATOM 0 HG22 VAL A 99 11.403 -8.094 -7.276 1.00 0.00 H new ATOM 0 HG23 VAL A 99 12.140 -9.460 -6.405 1.00 0.00 H new ATOM 1508 N LEU A 100 7.435 -8.088 -5.509 1.00 0.00 N ATOM 1509 CA LEU A 100 6.008 -8.044 -5.217 1.00 0.00 C ATOM 1510 C LEU A 100 5.125 -8.538 -6.344 1.00 0.00 C ATOM 1511 O LEU A 100 5.169 -8.038 -7.467 1.00 0.00 O ATOM 1512 CB LEU A 100 5.563 -6.635 -4.882 1.00 0.00 C ATOM 1513 CG LEU A 100 4.389 -6.514 -3.889 1.00 0.00 C ATOM 1514 CD1 LEU A 100 3.470 -7.727 -3.930 1.00 0.00 C ATOM 1515 CD2 LEU A 100 4.916 -6.306 -2.485 1.00 0.00 C ATOM 0 H LEU A 100 7.749 -7.401 -6.195 1.00 0.00 H new ATOM 0 HA LEU A 100 5.888 -8.717 -4.368 1.00 0.00 H new ATOM 0 HB2 LEU A 100 6.416 -6.094 -4.473 1.00 0.00 H new ATOM 0 HB3 LEU A 100 5.282 -6.134 -5.808 1.00 0.00 H new ATOM 0 HG LEU A 100 3.797 -5.650 -4.190 1.00 0.00 H new ATOM 0 HD11 LEU A 100 2.660 -7.594 -3.213 1.00 0.00 H new ATOM 0 HD12 LEU A 100 3.054 -7.835 -4.932 1.00 0.00 H new ATOM 0 HD13 LEU A 100 4.037 -8.622 -3.674 1.00 0.00 H new ATOM 0 HD21 LEU A 100 4.080 -6.222 -1.791 1.00 0.00 H new ATOM 0 HD22 LEU A 100 5.539 -7.154 -2.201 1.00 0.00 H new ATOM 0 HD23 LEU A 100 5.509 -5.392 -2.451 1.00 0.00 H new ATOM 1527 N VAL A 101 4.256 -9.455 -5.980 1.00 0.00 N ATOM 1528 CA VAL A 101 3.253 -9.981 -6.870 1.00 0.00 C ATOM 1529 C VAL A 101 2.020 -10.145 -6.006 1.00 0.00 C ATOM 1530 O VAL A 101 1.978 -11.003 -5.146 1.00 0.00 O ATOM 1531 CB VAL A 101 3.663 -11.324 -7.487 1.00 0.00 C ATOM 1532 CG1 VAL A 101 2.695 -11.730 -8.589 1.00 0.00 C ATOM 1533 CG2 VAL A 101 5.089 -11.252 -8.014 1.00 0.00 C ATOM 0 H VAL A 101 4.228 -9.860 -5.044 1.00 0.00 H new ATOM 0 HA VAL A 101 3.092 -9.314 -7.717 1.00 0.00 H new ATOM 0 HB VAL A 101 3.624 -12.087 -6.710 1.00 0.00 H new ATOM 0 HG11 VAL A 101 3.005 -12.685 -9.012 1.00 0.00 H new ATOM 0 HG12 VAL A 101 1.691 -11.826 -8.175 1.00 0.00 H new ATOM 0 HG13 VAL A 101 2.694 -10.970 -9.371 1.00 0.00 H new ATOM 0 HG21 VAL A 101 5.365 -12.213 -8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.156 -10.476 -8.776 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.768 -11.016 -7.195 1.00 0.00 H new ATOM 1543 N SER A 102 1.052 -9.270 -6.134 1.00 0.00 N ATOM 1544 CA SER A 102 -0.081 -9.355 -5.233 1.00 0.00 C ATOM 1545 C SER A 102 -1.383 -8.963 -5.861 1.00 0.00 C ATOM 1546 O SER A 102 -1.426 -8.317 -6.904 1.00 0.00 O ATOM 1547 CB SER A 102 0.175 -8.450 -4.019 1.00 0.00 C ATOM 1548 OG SER A 102 -0.985 -7.710 -3.667 1.00 0.00 O ATOM 0 H SER A 102 1.019 -8.518 -6.822 1.00 0.00 H new ATOM 0 HA SER A 102 -0.172 -10.402 -4.945 1.00 0.00 H new ATOM 0 HB2 SER A 102 0.491 -9.058 -3.171 1.00 0.00 H new ATOM 0 HB3 SER A 102 0.992 -7.764 -4.241 1.00 0.00 H new ATOM 0 HG SER A 102 -0.835 -7.253 -2.813 1.00 0.00 H new ATOM 1554 N LEU A 103 -2.442 -9.330 -5.153 1.00 0.00 N ATOM 1555 CA LEU A 103 -3.789 -9.000 -5.535 1.00 0.00 C ATOM 1556 C LEU A 103 -4.780 -9.995 -4.974 1.00 0.00 C ATOM 1557 O LEU A 103 -5.307 -9.802 -3.879 1.00 0.00 O ATOM 1558 CB LEU A 103 -3.954 -8.832 -7.052 1.00 0.00 C ATOM 1559 CG LEU A 103 -3.895 -7.381 -7.576 1.00 0.00 C ATOM 1560 CD1 LEU A 103 -5.256 -6.942 -8.096 1.00 0.00 C ATOM 1561 CD2 LEU A 103 -3.409 -6.406 -6.501 1.00 0.00 C ATOM 0 H LEU A 103 -2.379 -9.870 -4.290 1.00 0.00 H new ATOM 0 HA LEU A 103 -4.006 -8.027 -5.095 1.00 0.00 H new ATOM 0 HB2 LEU A 103 -3.176 -9.410 -7.550 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -4.910 -9.266 -7.345 1.00 0.00 H new ATOM 0 HG LEU A 103 -3.176 -7.364 -8.395 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -5.193 -5.917 -8.461 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -5.563 -7.598 -8.910 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -5.988 -6.996 -7.290 1.00 0.00 H new ATOM 0 HD21 LEU A 103 -3.382 -5.396 -6.911 1.00 0.00 H new ATOM 0 HD22 LEU A 103 -4.089 -6.434 -5.650 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -2.409 -6.692 -6.176 1.00 0.00 H new ATOM 1573 N ARG A 104 -5.043 -11.047 -5.717 1.00 0.00 N ATOM 1574 CA ARG A 104 -5.992 -12.054 -5.265 1.00 0.00 C ATOM 1575 C ARG A 104 -7.360 -11.406 -5.033 1.00 0.00 C ATOM 1576 O ARG A 104 -8.187 -11.928 -4.287 1.00 0.00 O ATOM 1577 CB ARG A 104 -5.475 -12.685 -3.967 1.00 0.00 C ATOM 1578 CG ARG A 104 -4.930 -14.093 -4.138 1.00 0.00 C ATOM 1579 CD ARG A 104 -3.634 -14.098 -4.932 1.00 0.00 C ATOM 1580 NE ARG A 104 -2.463 -14.242 -4.069 1.00 0.00 N ATOM 1581 CZ ARG A 104 -2.197 -15.335 -3.358 1.00 0.00 C ATOM 1582 NH1 ARG A 104 -3.014 -16.379 -3.405 1.00 0.00 N ATOM 1583 NH2 ARG A 104 -1.111 -15.386 -2.598 1.00 0.00 N ATOM 0 H ARG A 104 -4.622 -11.231 -6.627 1.00 0.00 H new ATOM 0 HA ARG A 104 -6.098 -12.830 -6.023 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -4.691 -12.051 -3.554 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -6.285 -12.706 -3.238 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -4.759 -14.539 -3.158 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -5.671 -14.711 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -3.655 -14.914 -5.654 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -3.554 -13.171 -5.500 1.00 0.00 H new ATOM 0 HE ARG A 104 -1.812 -13.459 -4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -3.850 -16.346 -3.988 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -2.806 -17.215 -2.858 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -0.479 -14.587 -2.558 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -0.908 -16.224 -2.054 1.00 0.00 H new ATOM 1597 N SER A 105 -7.558 -10.246 -5.678 1.00 0.00 N ATOM 1598 CA SER A 105 -8.781 -9.441 -5.581 1.00 0.00 C ATOM 1599 C SER A 105 -8.392 -7.967 -5.547 1.00 0.00 C ATOM 1600 O SER A 105 -7.204 -7.647 -5.495 1.00 0.00 O ATOM 1601 CB SER A 105 -9.614 -9.802 -4.353 1.00 0.00 C ATOM 1602 OG SER A 105 -10.385 -10.969 -4.581 1.00 0.00 O ATOM 0 H SER A 105 -6.857 -9.835 -6.294 1.00 0.00 H new ATOM 0 HA SER A 105 -9.403 -9.649 -6.452 1.00 0.00 H new ATOM 0 HB2 SER A 105 -8.957 -9.959 -3.498 1.00 0.00 H new ATOM 0 HB3 SER A 105 -10.273 -8.971 -4.100 1.00 0.00 H new ATOM 0 HG SER A 105 -9.809 -11.759 -4.517 1.00 0.00 H new ATOM 1608 N ASP A 106 -9.367 -7.063 -5.598 1.00 0.00 N ATOM 1609 CA ASP A 106 -9.043 -5.639 -5.594 1.00 0.00 C ATOM 1610 C ASP A 106 -9.326 -4.978 -4.247 1.00 0.00 C ATOM 1611 O ASP A 106 -10.465 -4.640 -3.927 1.00 0.00 O ATOM 1612 CB ASP A 106 -9.830 -4.923 -6.693 1.00 0.00 C ATOM 1613 CG ASP A 106 -8.973 -4.603 -7.902 1.00 0.00 C ATOM 1614 OD1 ASP A 106 -7.919 -3.955 -7.728 1.00 0.00 O ATOM 1615 OD2 ASP A 106 -9.354 -5.001 -9.022 1.00 0.00 O ATOM 0 H ASP A 106 -10.362 -7.282 -5.641 1.00 0.00 H new ATOM 0 HA ASP A 106 -7.973 -5.553 -5.781 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -10.669 -5.547 -7.001 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -10.249 -4.000 -6.293 1.00 0.00 H new ATOM 1620 N GLN A 107 -8.259 -4.759 -3.487 1.00 0.00 N ATOM 1621 CA GLN A 107 -8.336 -4.093 -2.195 1.00 0.00 C ATOM 1622 C GLN A 107 -6.932 -3.739 -1.724 1.00 0.00 C ATOM 1623 O GLN A 107 -5.949 -4.253 -2.260 1.00 0.00 O ATOM 1624 CB GLN A 107 -9.059 -4.954 -1.162 1.00 0.00 C ATOM 1625 CG GLN A 107 -10.215 -4.227 -0.473 1.00 0.00 C ATOM 1626 CD GLN A 107 -11.073 -5.125 0.404 1.00 0.00 C ATOM 1627 OE1 GLN A 107 -10.797 -6.417 0.387 1.00 0.00 O flip ATOM 1628 NE2 GLN A 107 -11.965 -4.651 1.106 1.00 0.00 N flip ATOM 0 H GLN A 107 -7.315 -5.040 -3.751 1.00 0.00 H new ATOM 0 HA GLN A 107 -8.917 -3.178 -2.309 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.442 -5.850 -1.650 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.344 -5.282 -0.408 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -9.811 -3.419 0.137 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -10.847 -3.767 -1.233 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -12.147 -3.647 1.091 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.523 -5.261 1.703 1.00 0.00 H new ATOM 1637 N MET A 108 -6.827 -2.871 -0.730 1.00 0.00 N ATOM 1638 CA MET A 108 -5.524 -2.481 -0.218 1.00 0.00 C ATOM 1639 C MET A 108 -5.631 -1.763 1.122 1.00 0.00 C ATOM 1640 O MET A 108 -6.593 -1.040 1.380 1.00 0.00 O ATOM 1641 CB MET A 108 -4.814 -1.588 -1.230 1.00 0.00 C ATOM 1642 CG MET A 108 -3.330 -1.429 -0.959 1.00 0.00 C ATOM 1643 SD MET A 108 -2.801 0.276 -1.051 1.00 0.00 S ATOM 1644 CE MET A 108 -3.803 0.889 0.273 1.00 0.00 C ATOM 0 H MET A 108 -7.620 -2.427 -0.266 1.00 0.00 H new ATOM 0 HA MET A 108 -4.945 -3.391 -0.060 1.00 0.00 H new ATOM 0 HB2 MET A 108 -4.951 -2.004 -2.228 1.00 0.00 H new ATOM 0 HB3 MET A 108 -5.283 -0.604 -1.227 1.00 0.00 H new ATOM 0 HG2 MET A 108 -3.099 -1.826 0.030 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.766 -2.021 -1.680 1.00 0.00 H new ATOM 0 HE1 MET A 108 -3.354 1.796 0.679 1.00 0.00 H new ATOM 0 HE2 MET A 108 -4.802 1.114 -0.101 1.00 0.00 H new ATOM 0 HE3 MET A 108 -3.871 0.135 1.057 1.00 0.00 H new ATOM 1654 N THR A 109 -4.619 -1.955 1.962 1.00 0.00 N ATOM 1655 CA THR A 109 -4.571 -1.314 3.270 1.00 0.00 C ATOM 1656 C THR A 109 -3.404 -0.337 3.323 1.00 0.00 C ATOM 1657 O THR A 109 -2.481 -0.425 2.515 1.00 0.00 O ATOM 1658 CB THR A 109 -4.420 -2.358 4.378 1.00 0.00 C ATOM 1659 OG1 THR A 109 -3.769 -3.516 3.891 1.00 0.00 O ATOM 1660 CG2 THR A 109 -5.739 -2.789 4.980 1.00 0.00 C ATOM 0 H THR A 109 -3.818 -2.552 1.758 1.00 0.00 H new ATOM 0 HA THR A 109 -5.505 -0.774 3.425 1.00 0.00 H new ATOM 0 HB THR A 109 -3.829 -1.871 5.154 1.00 0.00 H new ATOM 0 HG1 THR A 109 -4.306 -4.307 4.104 1.00 0.00 H new ATOM 0 HG21 THR A 109 -5.559 -3.530 5.759 1.00 0.00 H new ATOM 0 HG22 THR A 109 -6.242 -1.924 5.412 1.00 0.00 H new ATOM 0 HG23 THR A 109 -6.368 -3.224 4.204 1.00 0.00 H new ATOM 1668 N LEU A 110 -3.441 0.590 4.275 1.00 0.00 N ATOM 1669 CA LEU A 110 -2.370 1.570 4.414 1.00 0.00 C ATOM 1670 C LEU A 110 -1.009 0.879 4.437 1.00 0.00 C ATOM 1671 O LEU A 110 -0.152 1.143 3.594 1.00 0.00 O ATOM 1672 CB LEU A 110 -2.543 2.381 5.694 1.00 0.00 C ATOM 1673 CG LEU A 110 -3.477 3.586 5.599 1.00 0.00 C ATOM 1674 CD1 LEU A 110 -3.692 4.203 6.973 1.00 0.00 C ATOM 1675 CD2 LEU A 110 -2.911 4.616 4.637 1.00 0.00 C ATOM 0 H LEU A 110 -4.194 0.683 4.956 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.419 2.240 3.556 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -2.916 1.717 6.474 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -1.562 2.731 6.015 1.00 0.00 H new ATOM 0 HG LEU A 110 -4.441 3.249 5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -4.360 5.060 6.887 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -4.136 3.463 7.639 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -2.734 4.529 7.379 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -3.587 5.469 4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -1.936 4.949 4.993 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -2.804 4.170 3.648 1.00 0.00 H new ATOM 1687 N GLN A 111 -0.824 -0.011 5.412 1.00 0.00 N ATOM 1688 CA GLN A 111 0.429 -0.749 5.556 1.00 0.00 C ATOM 1689 C GLN A 111 0.908 -1.280 4.206 1.00 0.00 C ATOM 1690 O GLN A 111 1.954 -0.868 3.705 1.00 0.00 O ATOM 1691 CB GLN A 111 0.255 -1.906 6.543 1.00 0.00 C ATOM 1692 CG GLN A 111 1.504 -2.759 6.712 1.00 0.00 C ATOM 1693 CD GLN A 111 2.495 -2.167 7.695 1.00 0.00 C ATOM 1694 OE1 GLN A 111 3.414 -1.350 7.192 1.00 0.00 O flip ATOM 1695 NE2 GLN A 111 2.435 -2.439 8.895 1.00 0.00 N flip ATOM 0 H GLN A 111 -1.528 -0.238 6.115 1.00 0.00 H new ATOM 0 HA GLN A 111 1.183 -0.063 5.943 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -0.033 -1.503 7.514 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -0.564 -2.540 6.205 1.00 0.00 H new ATOM 0 HG2 GLN A 111 1.215 -3.754 7.050 1.00 0.00 H new ATOM 0 HG3 GLN A 111 1.989 -2.880 5.743 1.00 0.00 H new ATOM 0 HE21 GLN A 111 1.713 -3.072 9.239 1.00 0.00 H new ATOM 0 HE22 GLN A 111 3.108 -2.032 9.545 1.00 0.00 H new ATOM 1704 N ASP A 112 0.132 -2.187 3.617 1.00 0.00 N ATOM 1705 CA ASP A 112 0.479 -2.761 2.319 1.00 0.00 C ATOM 1706 C ASP A 112 0.782 -1.654 1.311 1.00 0.00 C ATOM 1707 O ASP A 112 1.694 -1.766 0.481 1.00 0.00 O ATOM 1708 CB ASP A 112 -0.663 -3.641 1.807 1.00 0.00 C ATOM 1709 CG ASP A 112 -0.363 -5.120 1.955 1.00 0.00 C ATOM 1710 OD1 ASP A 112 0.503 -5.628 1.212 1.00 0.00 O ATOM 1711 OD2 ASP A 112 -0.993 -5.771 2.816 1.00 0.00 O ATOM 0 H ASP A 112 -0.738 -2.539 4.016 1.00 0.00 H new ATOM 0 HA ASP A 112 1.370 -3.377 2.439 1.00 0.00 H new ATOM 0 HB2 ASP A 112 -1.576 -3.402 2.353 1.00 0.00 H new ATOM 0 HB3 ASP A 112 -0.851 -3.414 0.757 1.00 0.00 H new ATOM 1716 N ALA A 113 0.016 -0.578 1.397 1.00 0.00 N ATOM 1717 CA ALA A 113 0.198 0.552 0.507 1.00 0.00 C ATOM 1718 C ALA A 113 1.636 1.067 0.558 1.00 0.00 C ATOM 1719 O ALA A 113 2.297 1.225 -0.475 1.00 0.00 O ATOM 1720 CB ALA A 113 -0.762 1.673 0.880 1.00 0.00 C ATOM 0 H ALA A 113 -0.737 -0.466 2.075 1.00 0.00 H new ATOM 0 HA ALA A 113 -0.012 0.217 -0.509 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -0.616 2.516 0.205 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -1.788 1.315 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -0.570 1.991 1.905 1.00 0.00 H new ATOM 1726 N LYS A 114 2.112 1.338 1.773 1.00 0.00 N ATOM 1727 CA LYS A 114 3.456 1.857 1.958 1.00 0.00 C ATOM 1728 C LYS A 114 4.502 0.758 1.877 1.00 0.00 C ATOM 1729 O LYS A 114 5.667 1.040 1.621 1.00 0.00 O ATOM 1730 CB LYS A 114 3.569 2.640 3.281 1.00 0.00 C ATOM 1731 CG LYS A 114 4.114 1.851 4.467 1.00 0.00 C ATOM 1732 CD LYS A 114 3.009 1.464 5.431 1.00 0.00 C ATOM 1733 CE LYS A 114 2.540 2.643 6.262 1.00 0.00 C ATOM 1734 NZ LYS A 114 1.371 3.327 5.647 1.00 0.00 N ATOM 0 H LYS A 114 1.586 1.206 2.637 1.00 0.00 H new ATOM 0 HA LYS A 114 3.654 2.549 1.139 1.00 0.00 H new ATOM 0 HB2 LYS A 114 4.211 3.505 3.117 1.00 0.00 H new ATOM 0 HB3 LYS A 114 2.582 3.021 3.543 1.00 0.00 H new ATOM 0 HG2 LYS A 114 4.616 0.953 4.108 1.00 0.00 H new ATOM 0 HG3 LYS A 114 4.862 2.447 4.989 1.00 0.00 H new ATOM 0 HD2 LYS A 114 2.167 1.057 4.872 1.00 0.00 H new ATOM 0 HD3 LYS A 114 3.365 0.674 6.092 1.00 0.00 H new ATOM 0 HE2 LYS A 114 2.275 2.299 7.262 1.00 0.00 H new ATOM 0 HE3 LYS A 114 3.358 3.355 6.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 1.082 4.127 6.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 1.631 3.678 4.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 0.581 2.656 5.561 1.00 0.00 H new ATOM 1748 N VAL A 115 4.102 -0.496 2.077 1.00 0.00 N ATOM 1749 CA VAL A 115 5.065 -1.579 1.991 1.00 0.00 C ATOM 1750 C VAL A 115 5.581 -1.678 0.566 1.00 0.00 C ATOM 1751 O VAL A 115 6.796 -1.677 0.301 1.00 0.00 O ATOM 1752 CB VAL A 115 4.495 -2.946 2.438 1.00 0.00 C ATOM 1753 CG1 VAL A 115 3.829 -2.860 3.798 1.00 0.00 C ATOM 1754 CG2 VAL A 115 3.551 -3.563 1.427 1.00 0.00 C ATOM 0 H VAL A 115 3.146 -0.778 2.293 1.00 0.00 H new ATOM 0 HA VAL A 115 5.875 -1.342 2.681 1.00 0.00 H new ATOM 0 HB VAL A 115 5.357 -3.608 2.512 1.00 0.00 H new ATOM 0 HG11 VAL A 115 3.442 -3.840 4.076 1.00 0.00 H new ATOM 0 HG12 VAL A 115 4.558 -2.534 4.540 1.00 0.00 H new ATOM 0 HG13 VAL A 115 3.008 -2.144 3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 115 3.189 -4.519 1.804 1.00 0.00 H new ATOM 0 HG22 VAL A 115 2.706 -2.894 1.263 1.00 0.00 H new ATOM 0 HG23 VAL A 115 4.078 -3.720 0.486 1.00 0.00 H new ATOM 1764 N LEU A 116 4.636 -1.721 -0.351 1.00 0.00 N ATOM 1765 CA LEU A 116 4.950 -1.792 -1.753 1.00 0.00 C ATOM 1766 C LEU A 116 5.556 -0.481 -2.203 1.00 0.00 C ATOM 1767 O LEU A 116 6.560 -0.478 -2.893 1.00 0.00 O ATOM 1768 CB LEU A 116 3.678 -2.085 -2.549 1.00 0.00 C ATOM 1769 CG LEU A 116 3.379 -3.559 -2.811 1.00 0.00 C ATOM 1770 CD1 LEU A 116 2.947 -4.248 -1.528 1.00 0.00 C ATOM 1771 CD2 LEU A 116 2.303 -3.705 -3.879 1.00 0.00 C ATOM 0 H LEU A 116 3.638 -1.708 -0.142 1.00 0.00 H new ATOM 0 HA LEU A 116 5.669 -2.593 -1.926 1.00 0.00 H new ATOM 0 HB2 LEU A 116 2.831 -1.652 -2.016 1.00 0.00 H new ATOM 0 HB3 LEU A 116 3.747 -1.572 -3.508 1.00 0.00 H new ATOM 0 HG LEU A 116 4.290 -4.036 -3.172 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.738 -5.298 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 116 3.745 -4.174 -0.789 1.00 0.00 H new ATOM 0 HD13 LEU A 116 2.048 -3.767 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 116 2.103 -4.762 -4.052 1.00 0.00 H new ATOM 0 HD22 LEU A 116 1.389 -3.213 -3.545 1.00 0.00 H new ATOM 0 HD23 LEU A 116 2.645 -3.244 -4.806 1.00 0.00 H new ATOM 1783 N LEU A 117 4.950 0.635 -1.801 1.00 0.00 N ATOM 1784 CA LEU A 117 5.479 1.939 -2.179 1.00 0.00 C ATOM 1785 C LEU A 117 6.799 2.206 -1.485 1.00 0.00 C ATOM 1786 O LEU A 117 7.562 3.075 -1.902 1.00 0.00 O ATOM 1787 CB LEU A 117 4.474 3.048 -1.875 1.00 0.00 C ATOM 1788 CG LEU A 117 3.696 3.541 -3.092 1.00 0.00 C ATOM 1789 CD1 LEU A 117 2.200 3.360 -2.882 1.00 0.00 C ATOM 1790 CD2 LEU A 117 4.023 4.996 -3.381 1.00 0.00 C ATOM 0 H LEU A 117 4.109 0.662 -1.225 1.00 0.00 H new ATOM 0 HA LEU A 117 5.655 1.930 -3.255 1.00 0.00 H new ATOM 0 HB2 LEU A 117 3.767 2.687 -1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 117 5.004 3.891 -1.431 1.00 0.00 H new ATOM 0 HG LEU A 117 3.995 2.944 -3.954 1.00 0.00 H new ATOM 0 HD11 LEU A 117 1.663 3.718 -3.761 1.00 0.00 H new ATOM 0 HD12 LEU A 117 1.980 2.304 -2.727 1.00 0.00 H new ATOM 0 HD13 LEU A 117 1.884 3.929 -2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 117 3.459 5.330 -4.252 1.00 0.00 H new ATOM 0 HD22 LEU A 117 3.755 5.607 -2.519 1.00 0.00 H new ATOM 0 HD23 LEU A 117 5.090 5.097 -3.580 1.00 0.00 H new ATOM 1802 N GLU A 118 7.095 1.423 -0.462 1.00 0.00 N ATOM 1803 CA GLU A 118 8.357 1.558 0.224 1.00 0.00 C ATOM 1804 C GLU A 118 9.399 0.973 -0.690 1.00 0.00 C ATOM 1805 O GLU A 118 10.390 1.618 -1.025 1.00 0.00 O ATOM 1806 CB GLU A 118 8.354 0.828 1.571 1.00 0.00 C ATOM 1807 CG GLU A 118 9.721 0.763 2.234 1.00 0.00 C ATOM 1808 CD GLU A 118 10.276 2.136 2.560 1.00 0.00 C ATOM 1809 OE1 GLU A 118 10.923 2.739 1.678 1.00 0.00 O ATOM 1810 OE2 GLU A 118 10.062 2.609 3.696 1.00 0.00 O ATOM 0 H GLU A 118 6.482 0.695 -0.095 1.00 0.00 H new ATOM 0 HA GLU A 118 8.558 2.606 0.447 1.00 0.00 H new ATOM 0 HB2 GLU A 118 7.657 1.328 2.244 1.00 0.00 H new ATOM 0 HB3 GLU A 118 7.983 -0.186 1.424 1.00 0.00 H new ATOM 0 HG2 GLU A 118 9.649 0.177 3.150 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.416 0.241 1.576 1.00 0.00 H new ATOM 1817 N ALA A 119 9.132 -0.250 -1.133 1.00 0.00 N ATOM 1818 CA ALA A 119 10.031 -0.914 -2.056 1.00 0.00 C ATOM 1819 C ALA A 119 9.938 -0.284 -3.441 1.00 0.00 C ATOM 1820 O ALA A 119 10.903 -0.287 -4.205 1.00 0.00 O ATOM 1821 CB ALA A 119 9.734 -2.402 -2.121 1.00 0.00 C ATOM 0 H ALA A 119 8.310 -0.793 -0.869 1.00 0.00 H new ATOM 0 HA ALA A 119 11.050 -0.788 -1.690 1.00 0.00 H new ATOM 0 HB1 ALA A 119 10.421 -2.880 -2.820 1.00 0.00 H new ATOM 0 HB2 ALA A 119 9.859 -2.842 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 119 8.709 -2.554 -2.459 1.00 0.00 H new ATOM 1827 N ALA A 120 8.769 0.259 -3.752 1.00 0.00 N ATOM 1828 CA ALA A 120 8.538 0.895 -5.035 1.00 0.00 C ATOM 1829 C ALA A 120 9.325 2.183 -5.151 1.00 0.00 C ATOM 1830 O ALA A 120 10.092 2.370 -6.093 1.00 0.00 O ATOM 1831 CB ALA A 120 7.057 1.169 -5.245 1.00 0.00 C ATOM 0 H ALA A 120 7.963 0.270 -3.127 1.00 0.00 H new ATOM 0 HA ALA A 120 8.879 0.209 -5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 120 6.909 1.646 -6.214 1.00 0.00 H new ATOM 0 HB2 ALA A 120 6.505 0.229 -5.215 1.00 0.00 H new ATOM 0 HB3 ALA A 120 6.694 1.828 -4.457 1.00 0.00 H new ATOM 1837 N LEU A 121 9.127 3.075 -4.191 1.00 0.00 N ATOM 1838 CA LEU A 121 9.822 4.345 -4.203 1.00 0.00 C ATOM 1839 C LEU A 121 11.328 4.126 -4.053 1.00 0.00 C ATOM 1840 O LEU A 121 12.122 4.668 -4.815 1.00 0.00 O ATOM 1841 CB LEU A 121 9.261 5.278 -3.112 1.00 0.00 C ATOM 1842 CG LEU A 121 10.131 5.502 -1.871 1.00 0.00 C ATOM 1843 CD1 LEU A 121 10.431 6.982 -1.686 1.00 0.00 C ATOM 1844 CD2 LEU A 121 9.433 4.948 -0.646 1.00 0.00 C ATOM 0 H LEU A 121 8.495 2.941 -3.402 1.00 0.00 H new ATOM 0 HA LEU A 121 9.656 4.834 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 121 9.063 6.249 -3.566 1.00 0.00 H new ATOM 0 HB3 LEU A 121 8.302 4.877 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 121 11.077 4.978 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 121 11.050 7.120 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 121 10.962 7.358 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 121 9.497 7.530 -1.565 1.00 0.00 H new ATOM 0 HD21 LEU A 121 10.057 5.110 0.233 1.00 0.00 H new ATOM 0 HD22 LEU A 121 8.477 5.455 -0.511 1.00 0.00 H new ATOM 0 HD23 LEU A 121 9.262 3.880 -0.777 1.00 0.00 H new ATOM 1856 N ARG A 122 11.713 3.321 -3.067 1.00 0.00 N ATOM 1857 CA ARG A 122 13.122 3.038 -2.822 1.00 0.00 C ATOM 1858 C ARG A 122 13.793 2.403 -4.033 1.00 0.00 C ATOM 1859 O ARG A 122 14.946 2.702 -4.341 1.00 0.00 O ATOM 1860 CB ARG A 122 13.270 2.148 -1.584 1.00 0.00 C ATOM 1861 CG ARG A 122 14.003 0.844 -1.829 1.00 0.00 C ATOM 1862 CD ARG A 122 13.670 -0.198 -0.774 1.00 0.00 C ATOM 1863 NE ARG A 122 14.496 -0.051 0.423 1.00 0.00 N ATOM 1864 CZ ARG A 122 14.168 -0.545 1.615 1.00 0.00 C ATOM 1865 NH1 ARG A 122 13.040 -1.226 1.771 1.00 0.00 N ATOM 1866 NH2 ARG A 122 14.972 -0.359 2.653 1.00 0.00 N ATOM 0 H ARG A 122 11.070 2.855 -2.427 1.00 0.00 H new ATOM 0 HA ARG A 122 13.628 3.986 -2.639 1.00 0.00 H new ATOM 0 HB2 ARG A 122 13.798 2.707 -0.812 1.00 0.00 H new ATOM 0 HB3 ARG A 122 12.278 1.924 -1.193 1.00 0.00 H new ATOM 0 HG2 ARG A 122 13.741 0.460 -2.815 1.00 0.00 H new ATOM 0 HG3 ARG A 122 15.078 1.026 -1.833 1.00 0.00 H new ATOM 0 HD2 ARG A 122 12.618 -0.114 -0.501 1.00 0.00 H new ATOM 0 HD3 ARG A 122 13.812 -1.195 -1.192 1.00 0.00 H new ATOM 0 HE ARG A 122 15.375 0.460 0.340 1.00 0.00 H new ATOM 0 HH11 ARG A 122 12.419 -1.373 0.975 1.00 0.00 H new ATOM 0 HH12 ARG A 122 12.794 -1.602 2.687 1.00 0.00 H new ATOM 0 HH21 ARG A 122 15.841 0.162 2.538 1.00 0.00 H new ATOM 0 HH22 ARG A 122 14.721 -0.737 3.567 1.00 0.00 H new ATOM 1880 N GLN A 123 13.082 1.505 -4.697 1.00 0.00 N ATOM 1881 CA GLN A 123 13.636 0.811 -5.847 1.00 0.00 C ATOM 1882 C GLN A 123 13.482 1.603 -7.143 1.00 0.00 C ATOM 1883 O GLN A 123 14.329 1.507 -8.032 1.00 0.00 O ATOM 1884 CB GLN A 123 12.968 -0.554 -6.001 1.00 0.00 C ATOM 1885 CG GLN A 123 13.782 -1.535 -6.824 1.00 0.00 C ATOM 1886 CD GLN A 123 13.340 -1.588 -8.273 1.00 0.00 C ATOM 1887 OE1 GLN A 123 12.145 -1.578 -8.571 1.00 0.00 O ATOM 1888 NE2 GLN A 123 14.304 -1.646 -9.184 1.00 0.00 N ATOM 0 H GLN A 123 12.125 1.241 -4.461 1.00 0.00 H new ATOM 0 HA GLN A 123 14.704 0.692 -5.663 1.00 0.00 H new ATOM 0 HB2 GLN A 123 12.793 -0.978 -5.012 1.00 0.00 H new ATOM 0 HB3 GLN A 123 11.992 -0.422 -6.468 1.00 0.00 H new ATOM 0 HG2 GLN A 123 14.835 -1.255 -6.779 1.00 0.00 H new ATOM 0 HG3 GLN A 123 13.697 -2.529 -6.386 1.00 0.00 H new ATOM 0 HE21 GLN A 123 15.281 -1.652 -8.893 1.00 0.00 H new ATOM 0 HE22 GLN A 123 14.067 -1.684 -10.175 1.00 0.00 H new ATOM 1897 N GLU A 124 12.389 2.351 -7.278 1.00 0.00 N ATOM 1898 CA GLU A 124 12.155 3.100 -8.516 1.00 0.00 C ATOM 1899 C GLU A 124 12.599 4.565 -8.457 1.00 0.00 C ATOM 1900 O GLU A 124 13.534 4.962 -9.152 1.00 0.00 O ATOM 1901 CB GLU A 124 10.672 3.043 -8.886 1.00 0.00 C ATOM 1902 CG GLU A 124 10.064 1.655 -8.760 1.00 0.00 C ATOM 1903 CD GLU A 124 10.286 0.808 -9.997 1.00 0.00 C ATOM 1904 OE1 GLU A 124 10.572 1.384 -11.068 1.00 0.00 O ATOM 1905 OE2 GLU A 124 10.174 -0.432 -9.896 1.00 0.00 O ATOM 0 H GLU A 124 11.666 2.456 -6.566 1.00 0.00 H new ATOM 0 HA GLU A 124 12.771 2.617 -9.275 1.00 0.00 H new ATOM 0 HB2 GLU A 124 10.120 3.731 -8.246 1.00 0.00 H new ATOM 0 HB3 GLU A 124 10.549 3.393 -9.911 1.00 0.00 H new ATOM 0 HG2 GLU A 124 10.496 1.150 -7.896 1.00 0.00 H new ATOM 0 HG3 GLU A 124 8.994 1.746 -8.574 1.00 0.00 H new ATOM 1912 N SER A 125 11.905 5.373 -7.657 1.00 0.00 N ATOM 1913 CA SER A 125 12.223 6.798 -7.558 1.00 0.00 C ATOM 1914 C SER A 125 13.108 7.125 -6.357 1.00 0.00 C ATOM 1915 O SER A 125 14.254 7.549 -6.509 1.00 0.00 O ATOM 1916 CB SER A 125 10.923 7.611 -7.503 1.00 0.00 C ATOM 1917 OG SER A 125 10.856 8.420 -6.341 1.00 0.00 O ATOM 0 H SER A 125 11.126 5.070 -7.073 1.00 0.00 H new ATOM 0 HA SER A 125 12.794 7.068 -8.446 1.00 0.00 H new ATOM 0 HB2 SER A 125 10.851 8.241 -8.389 1.00 0.00 H new ATOM 0 HB3 SER A 125 10.070 6.933 -7.524 1.00 0.00 H new ATOM 0 HG SER A 125 10.170 8.068 -5.736 1.00 0.00 H new ATOM 1923 N GLY A 126 12.552 6.942 -5.166 1.00 0.00 N ATOM 1924 CA GLY A 126 13.276 7.235 -3.945 1.00 0.00 C ATOM 1925 C GLY A 126 12.942 8.611 -3.407 1.00 0.00 C ATOM 1926 O GLY A 126 12.411 8.742 -2.304 1.00 0.00 O ATOM 0 H GLY A 126 11.604 6.593 -5.024 1.00 0.00 H new ATOM 0 HA2 GLY A 126 13.038 6.483 -3.192 1.00 0.00 H new ATOM 0 HA3 GLY A 126 14.348 7.169 -4.134 1.00 0.00 H new ATOM 1930 N ALA A 127 13.235 9.637 -4.195 1.00 0.00 N ATOM 1931 CA ALA A 127 12.942 11.009 -3.802 1.00 0.00 C ATOM 1932 C ALA A 127 11.858 11.580 -4.699 1.00 0.00 C ATOM 1933 O ALA A 127 11.899 12.747 -5.092 1.00 0.00 O ATOM 1934 CB ALA A 127 14.197 11.866 -3.858 1.00 0.00 C ATOM 0 H ALA A 127 13.675 9.545 -5.110 1.00 0.00 H new ATOM 0 HA ALA A 127 12.584 11.011 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 127 13.954 12.886 -3.561 1.00 0.00 H new ATOM 0 HB2 ALA A 127 14.946 11.459 -3.179 1.00 0.00 H new ATOM 0 HB3 ALA A 127 14.591 11.868 -4.874 1.00 0.00 H new ATOM 1940 N ARG A 128 10.892 10.731 -5.024 1.00 0.00 N ATOM 1941 CA ARG A 128 9.782 11.105 -5.884 1.00 0.00 C ATOM 1942 C ARG A 128 10.248 11.281 -7.320 1.00 0.00 C ATOM 1943 O ARG A 128 10.984 12.215 -7.640 1.00 0.00 O ATOM 1944 CB ARG A 128 9.120 12.390 -5.396 1.00 0.00 C ATOM 1945 CG ARG A 128 7.611 12.292 -5.266 1.00 0.00 C ATOM 1946 CD ARG A 128 6.913 13.439 -5.981 1.00 0.00 C ATOM 1947 NE ARG A 128 7.062 13.355 -7.432 1.00 0.00 N ATOM 1948 CZ ARG A 128 6.271 13.988 -8.296 1.00 0.00 C ATOM 1949 NH1 ARG A 128 5.278 14.753 -7.859 1.00 0.00 N ATOM 1950 NH2 ARG A 128 6.473 13.856 -9.600 1.00 0.00 N ATOM 0 H ARG A 128 10.858 9.765 -4.698 1.00 0.00 H new ATOM 0 HA ARG A 128 9.050 10.299 -5.846 1.00 0.00 H new ATOM 0 HB2 ARG A 128 9.542 12.660 -4.428 1.00 0.00 H new ATOM 0 HB3 ARG A 128 9.364 13.198 -6.086 1.00 0.00 H new ATOM 0 HG2 ARG A 128 7.270 11.343 -5.680 1.00 0.00 H new ATOM 0 HG3 ARG A 128 7.335 12.297 -4.212 1.00 0.00 H new ATOM 0 HD2 ARG A 128 5.853 13.434 -5.725 1.00 0.00 H new ATOM 0 HD3 ARG A 128 7.321 14.387 -5.629 1.00 0.00 H new ATOM 0 HE ARG A 128 7.816 12.778 -7.805 1.00 0.00 H new ATOM 0 HH11 ARG A 128 5.118 14.858 -6.857 1.00 0.00 H new ATOM 0 HH12 ARG A 128 4.675 15.236 -8.525 1.00 0.00 H new ATOM 0 HH21 ARG A 128 7.234 13.269 -9.941 1.00 0.00 H new ATOM 0 HH22 ARG A 128 5.867 14.341 -10.262 1.00 0.00 H new ATOM 1964 N GLY A 129 9.811 10.375 -8.179 1.00 0.00 N ATOM 1965 CA GLY A 129 10.184 10.431 -9.582 1.00 0.00 C ATOM 1966 C GLY A 129 11.680 10.581 -9.787 1.00 0.00 C ATOM 1967 O GLY A 129 12.123 11.067 -10.827 1.00 0.00 O ATOM 0 H GLY A 129 9.201 9.596 -7.931 1.00 0.00 H new ATOM 0 HA2 GLY A 129 9.843 9.524 -10.080 1.00 0.00 H new ATOM 0 HA3 GLY A 129 9.671 11.268 -10.057 1.00 0.00 H new ATOM 1971 N SER A 130 12.461 10.164 -8.794 1.00 0.00 N ATOM 1972 CA SER A 130 13.914 10.257 -8.876 1.00 0.00 C ATOM 1973 C SER A 130 14.358 11.705 -9.060 1.00 0.00 C ATOM 1974 O SER A 130 13.494 12.603 -8.980 1.00 0.00 O ATOM 1975 CB SER A 130 14.437 9.398 -10.030 1.00 0.00 C ATOM 1976 OG SER A 130 14.354 10.092 -11.263 1.00 0.00 O ATOM 0 H SER A 130 12.112 9.759 -7.925 1.00 0.00 H new ATOM 0 HA SER A 130 14.330 9.886 -7.939 1.00 0.00 H new ATOM 0 HB2 SER A 130 15.472 9.116 -9.837 1.00 0.00 H new ATOM 0 HB3 SER A 130 13.861 8.475 -10.090 1.00 0.00 H new ATOM 0 HG SER A 130 13.549 10.651 -11.270 1.00 0.00 H new TER 1982 SER A 130 HETATM 1983 C ACE B 201 -8.555 17.142 -8.368 1.00 0.00 C HETATM 1984 O ACE B 201 -7.369 17.439 -8.222 1.00 0.00 O HETATM 1985 CH3 ACE B 201 -9.149 16.962 -9.761 1.00 0.00 C HETATM 0 H1 ACE B 201 -9.534 15.947 -9.864 1.00 0.00 H new HETATM 0 H2 ACE B 201 -9.961 17.675 -9.905 1.00 0.00 H new HETATM 0 H3 ACE B 201 -8.377 17.135 -10.511 1.00 0.00 H new ATOM 1989 N ASP B 202 -9.384 16.960 -7.344 1.00 0.00 N ATOM 1990 CA ASP B 202 -9.512 17.948 -6.279 1.00 0.00 C ATOM 1991 C ASP B 202 -8.954 17.408 -4.966 1.00 0.00 C ATOM 1992 O ASP B 202 -8.252 18.113 -4.241 1.00 0.00 O ATOM 1993 CB ASP B 202 -10.978 18.345 -6.097 1.00 0.00 C ATOM 1994 CG ASP B 202 -11.876 17.145 -5.863 1.00 0.00 C ATOM 1995 OD1 ASP B 202 -12.063 16.765 -4.688 1.00 0.00 O ATOM 1996 OD2 ASP B 202 -12.391 16.587 -6.854 1.00 0.00 O ATOM 0 H ASP B 202 -9.977 16.138 -7.230 1.00 0.00 H new ATOM 0 HA ASP B 202 -8.936 18.829 -6.564 1.00 0.00 H new ATOM 0 HB2 ASP B 202 -11.064 19.030 -5.254 1.00 0.00 H new ATOM 0 HB3 ASP B 202 -11.318 18.884 -6.981 1.00 0.00 H new ATOM 2001 N GLU B 203 -9.270 16.153 -4.669 1.00 0.00 N ATOM 2002 CA GLU B 203 -8.800 15.514 -3.445 1.00 0.00 C ATOM 2003 C GLU B 203 -9.306 16.256 -2.211 1.00 0.00 C ATOM 2004 O GLU B 203 -10.102 17.189 -2.318 1.00 0.00 O ATOM 2005 CB GLU B 203 -7.271 15.458 -3.431 1.00 0.00 C ATOM 2006 CG GLU B 203 -6.669 14.998 -4.749 1.00 0.00 C ATOM 2007 CD GLU B 203 -5.199 15.347 -4.873 1.00 0.00 C ATOM 2008 OE1 GLU B 203 -4.741 16.254 -4.146 1.00 0.00 O ATOM 2009 OE2 GLU B 203 -4.506 14.715 -5.698 1.00 0.00 O ATOM 0 H GLU B 203 -9.850 15.557 -5.259 1.00 0.00 H new ATOM 0 HA GLU B 203 -9.195 14.498 -3.420 1.00 0.00 H new ATOM 0 HB2 GLU B 203 -6.881 16.447 -3.188 1.00 0.00 H new ATOM 0 HB3 GLU B 203 -6.947 14.784 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU B 203 -6.791 13.919 -4.843 1.00 0.00 H new ATOM 0 HG3 GLU B 203 -7.217 15.454 -5.573 1.00 0.00 H new HETATM 2016 N PTR B 204 -8.839 15.833 -1.040 1.00 0.00 N HETATM 2017 CA PTR B 204 -9.245 16.452 0.216 1.00 0.00 C HETATM 2018 C PTR B 204 -8.313 17.603 0.584 1.00 0.00 C HETATM 2019 O PTR B 204 -8.707 18.768 0.543 1.00 0.00 O HETATM 2020 CB PTR B 204 -9.254 15.407 1.334 1.00 0.00 C HETATM 2021 CG PTR B 204 -10.166 14.235 1.048 1.00 0.00 C HETATM 2022 CD1 PTR B 204 -11.522 14.306 1.344 1.00 0.00 C HETATM 2023 CD2 PTR B 204 -9.678 13.061 0.483 1.00 0.00 C HETATM 2024 CE1 PTR B 204 -12.366 13.244 1.086 1.00 0.00 C HETATM 2025 CE2 PTR B 204 -10.519 11.997 0.221 1.00 0.00 C HETATM 2026 CZ PTR B 204 -11.860 12.093 0.525 1.00 0.00 C HETATM 2027 OH PTR B 204 -12.699 11.033 0.266 1.00 0.00 O HETATM 2028 P PTR B 204 -12.803 9.902 1.336 1.00 0.00 P HETATM 2029 O1P PTR B 204 -13.647 10.520 2.482 1.00 0.00 O HETATM 2030 O2P PTR B 204 -11.349 9.697 1.832 1.00 0.00 O HETATM 2031 O3P PTR B 204 -13.409 8.643 0.789 1.00 0.00 O HETATM 0 HE2 PTR B 204 -10.123 11.084 -0.225 1.00 0.00 H new HETATM 0 HE1 PTR B 204 -13.427 13.317 1.325 1.00 0.00 H new HETATM 0 HD2 PTR B 204 -8.618 12.980 0.244 1.00 0.00 H new HETATM 0 HD1 PTR B 204 -11.926 15.216 1.788 1.00 0.00 H new HETATM 0 HB3 PTR B 204 -8.239 15.040 1.487 1.00 0.00 H new HETATM 0 HB2 PTR B 204 -9.565 15.882 2.264 1.00 0.00 H new HETATM 0 HA PTR B 204 -10.250 16.854 0.091 1.00 0.00 H new ATOM 2040 N ASP B 205 -7.078 17.273 0.946 1.00 0.00 N ATOM 2041 CA ASP B 205 -6.101 18.289 1.322 1.00 0.00 C ATOM 2042 C ASP B 205 -4.750 18.012 0.673 1.00 0.00 C ATOM 2043 O ASP B 205 -3.717 18.007 1.343 1.00 0.00 O ATOM 2044 CB ASP B 205 -5.951 18.341 2.844 1.00 0.00 C ATOM 2045 CG ASP B 205 -5.576 16.996 3.433 1.00 0.00 C ATOM 2046 OD1 ASP B 205 -4.881 16.219 2.745 1.00 0.00 O ATOM 2047 OD2 ASP B 205 -5.978 16.718 4.583 1.00 0.00 O ATOM 0 H ASP B 205 -6.731 16.315 0.987 1.00 0.00 H new ATOM 0 HA ASP B 205 -6.461 19.254 0.966 1.00 0.00 H new ATOM 0 HB2 ASP B 205 -5.189 19.075 3.107 1.00 0.00 H new ATOM 0 HB3 ASP B 205 -6.887 18.681 3.287 1.00 0.00 H new ATOM 2052 N ASP B 206 -4.765 17.778 -0.635 1.00 0.00 N ATOM 2053 CA ASP B 206 -3.540 17.497 -1.373 1.00 0.00 C ATOM 2054 C ASP B 206 -2.835 16.271 -0.799 1.00 0.00 C ATOM 2055 O ASP B 206 -3.140 15.837 0.311 1.00 0.00 O ATOM 2056 CB ASP B 206 -2.603 18.707 -1.328 1.00 0.00 C ATOM 2057 CG ASP B 206 -2.742 19.590 -2.552 1.00 0.00 C ATOM 2058 OD1 ASP B 206 -2.915 19.044 -3.662 1.00 0.00 O ATOM 2059 OD2 ASP B 206 -2.677 20.828 -2.402 1.00 0.00 O ATOM 0 H ASP B 206 -5.611 17.777 -1.205 1.00 0.00 H new ATOM 0 HA ASP B 206 -3.805 17.292 -2.410 1.00 0.00 H new ATOM 0 HB2 ASP B 206 -2.814 19.294 -0.434 1.00 0.00 H new ATOM 0 HB3 ASP B 206 -1.572 18.362 -1.247 1.00 0.00 H new ATOM 2064 N PRO B 207 -1.887 15.689 -1.553 1.00 0.00 N ATOM 2065 CA PRO B 207 -1.143 14.502 -1.117 1.00 0.00 C ATOM 2066 C PRO B 207 -0.292 14.755 0.127 1.00 0.00 C ATOM 2067 O PRO B 207 0.931 14.645 0.083 1.00 0.00 O ATOM 2068 CB PRO B 207 -0.247 14.180 -2.320 1.00 0.00 C ATOM 2069 CG PRO B 207 -0.143 15.461 -3.070 1.00 0.00 C ATOM 2070 CD PRO B 207 -1.474 16.129 -2.897 1.00 0.00 C ATOM 0 HA PRO B 207 -1.815 13.692 -0.834 1.00 0.00 H new ATOM 0 HB2 PRO B 207 0.734 13.828 -2.000 1.00 0.00 H new ATOM 0 HB3 PRO B 207 -0.681 13.394 -2.938 1.00 0.00 H new ATOM 0 HG2 PRO B 207 0.663 16.082 -2.678 1.00 0.00 H new ATOM 0 HG3 PRO B 207 0.074 15.284 -4.123 1.00 0.00 H new ATOM 0 HD2 PRO B 207 -1.393 17.214 -2.960 1.00 0.00 H new ATOM 0 HD3 PRO B 207 -2.186 15.817 -3.661 1.00 0.00 H new ATOM 2078 N PHE B 208 -0.953 15.085 1.237 1.00 0.00 N ATOM 2079 CA PHE B 208 -0.275 15.344 2.510 1.00 0.00 C ATOM 2080 C PHE B 208 0.971 16.222 2.327 1.00 0.00 C ATOM 2081 O PHE B 208 1.831 16.294 3.205 1.00 0.00 O ATOM 2082 CB PHE B 208 0.049 14.000 3.197 1.00 0.00 C ATOM 2083 CG PHE B 208 1.501 13.764 3.542 1.00 0.00 C ATOM 2084 CD1 PHE B 208 2.478 13.716 2.555 1.00 0.00 C ATOM 2085 CD2 PHE B 208 1.884 13.587 4.865 1.00 0.00 C ATOM 2086 CE1 PHE B 208 3.802 13.499 2.883 1.00 0.00 C ATOM 2087 CE2 PHE B 208 3.208 13.370 5.195 1.00 0.00 C ATOM 2088 CZ PHE B 208 4.168 13.327 4.203 1.00 0.00 C ATOM 0 H PHE B 208 -1.968 15.180 1.281 1.00 0.00 H new ATOM 0 HA PHE B 208 -0.942 15.912 3.158 1.00 0.00 H new ATOM 0 HB2 PHE B 208 -0.537 13.933 4.114 1.00 0.00 H new ATOM 0 HB3 PHE B 208 -0.285 13.192 2.546 1.00 0.00 H new ATOM 0 HD1 PHE B 208 2.199 13.850 1.520 1.00 0.00 H new ATOM 0 HD2 PHE B 208 1.138 13.619 5.645 1.00 0.00 H new ATOM 0 HE1 PHE B 208 4.552 13.464 2.106 1.00 0.00 H new ATOM 0 HE2 PHE B 208 3.492 13.234 6.228 1.00 0.00 H new ATOM 0 HZ PHE B 208 5.204 13.159 4.460 1.00 0.00 H new HETATM 2098 N NH2 B 209 1.054 16.911 1.194 1.00 0.00 N TER 2101 NH2 B 209