USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 728 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: C 59 ASN : amide:sc= -0.589 K(o=-0.59,f=-4.8!) USER MOD Set 1.2: C 88 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: C 77 ASN : amide:sc= -5.2! C(o=-16!,f=-5.3!) USER MOD Set 2.2: C 80 ASN : amide:sc= -10.8! C(o=-16!,f=-8.4!) USER MOD Set 3.1: C 30 SER OG : rot 180:sc= 0 USER MOD Set 3.2: C 32 ASN : amide:sc= -2.87! C(o=-2.9!,f=-5.4!) USER MOD Set 4.1: C 26 LYS NZ :NH3+ 163:sc= 1.26 (180deg=0.862) USER MOD Set 4.2: C 42 ASN : amide:sc= -2.99! C(o=-1.7!,f=-2!) USER MOD Set 5.1: C 9 GLN : amide:sc= 0.508 K(o=0.35,f=-2.5!) USER MOD Set 5.2: C 31 MET CE :methyl 159:sc= -0.156 (180deg=-0.679) USER MOD Single : C 1 ASP N :NH3+ 163:sc= 0.631 (180deg=0.381) USER MOD Single : C 2 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 3 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : C 4 LYS NZ :NH3+ 159:sc= -0.14 (180deg=-0.529) USER MOD Single : C 10 MET CE :methyl -143:sc= -2.02! (180deg=-2.52!) USER MOD Single : C 11 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : C 12 SER OG : rot 180:sc= 0 USER MOD Single : C 14 ASN : amide:sc= -1.44 K(o=-1.4,f=-6.3!) USER MOD Single : C 15 SER OG : rot 180:sc= 0 USER MOD Single : C 17 ASN : amide:sc= -3.41! C(o=-3.4!,f=-8.5!) USER MOD Single : C 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 21 ASN : amide:sc= 0.151 X(o=0.15,f=-0.3) USER MOD Single : C 22 LYS NZ :NH3+ -134:sc= 0.801 (180deg=-2.29) USER MOD Single : C 24 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0769) USER MOD Single : C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 34 ASN : amide:sc= -0.0702 K(o=-0.07,f=-0.65) USER MOD Single : C 35 GLN : amide:sc= -1.54! K(o=-1.5!,f=-0.32) USER MOD Single : C 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 39 THR OG1 : rot 180:sc= -0.0543 USER MOD Single : C 40 SER OG : rot 42:sc= -1.01 USER MOD Single : C 41 SER OG : rot 180:sc= 0.401 USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot 150:sc= 0.171 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ 153:sc= 1.26 (180deg=1.11) USER MOD Single : C 53 ASN : amide:sc= -3.91! K(o=-3.9!,f=-0.63) USER MOD Single : C 62 LYS NZ :NH3+ -170:sc= -0.0185 (180deg=-0.139) USER MOD Single : C 64 TYR OH : rot 49:sc= 1.04 USER MOD Single : C 65 THR OG1 : rot -1:sc= 1.28 USER MOD Single : C 67 ASN : amide:sc= 0.452 K(o=0.45,f=-0.4) USER MOD Single : C 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 70 SER OG : rot -97:sc= -0.0614 USER MOD Single : C 71 THR OG1 : rot 180:sc= 0.00318 USER MOD Single : C 74 ASN : amide:sc= -1.89! K(o=-1.9!,f=-0.036) USER MOD Single : C 76 SER OG : rot 59:sc= -1.46 USER MOD Single : C 81 LYS NZ :NH3+ 157:sc= 1.25 (180deg=1.12) USER MOD Single : C 83 ASN : amide:sc= -6.23! C(o=-6.2!,f=-2.8!) USER MOD Single : C 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 92 LYS NZ :NH3+ 169:sc=-0.00956 (180deg=-0.146) USER MOD Single : C 93 GLN : amide:sc= -1.29 K(o=-1.3,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP C 1 -24.161 -1.791 0.513 1.00 0.00 N ATOM 2 CA ASP C 1 -23.942 -1.585 1.963 1.00 0.00 C ATOM 3 C ASP C 1 -22.887 -2.544 2.491 1.00 0.00 C ATOM 4 O ASP C 1 -22.744 -3.656 1.982 1.00 0.00 O ATOM 5 CB ASP C 1 -25.251 -1.777 2.733 1.00 0.00 C ATOM 6 CG ASP C 1 -26.266 -0.704 2.410 1.00 0.00 C ATOM 7 OD1 ASP C 1 -26.834 -0.112 3.352 1.00 0.00 O ATOM 8 OD2 ASP C 1 -26.487 -0.434 1.214 1.00 0.00 O1- ATOM 0 H1 ASP C 1 -25.060 -1.350 0.232 1.00 0.00 H new ATOM 0 H2 ASP C 1 -23.381 -1.358 -0.021 1.00 0.00 H new ATOM 0 H3 ASP C 1 -24.197 -2.810 0.309 1.00 0.00 H new ATOM 0 HA ASP C 1 -23.590 -0.564 2.110 1.00 0.00 H new ATOM 0 HB2 ASP C 1 -25.670 -2.755 2.495 1.00 0.00 H new ATOM 0 HB3 ASP C 1 -25.045 -1.770 3.803 1.00 0.00 H new ATOM 13 N ASN C 2 -22.140 -2.093 3.498 1.00 0.00 N ATOM 14 CA ASN C 2 -21.120 -2.908 4.168 1.00 0.00 C ATOM 15 C ASN C 2 -19.986 -3.283 3.230 1.00 0.00 C ATOM 16 O ASN C 2 -19.231 -4.220 3.496 1.00 0.00 O ATOM 17 CB ASN C 2 -21.729 -4.164 4.800 1.00 0.00 C ATOM 18 CG ASN C 2 -22.554 -3.850 6.032 1.00 0.00 C ATOM 19 OD1 ASN C 2 -22.034 -3.805 7.149 1.00 0.00 O ATOM 20 ND2 ASN C 2 -23.843 -3.627 5.841 1.00 0.00 N ATOM 0 H ASN C 2 -22.223 -1.149 3.875 1.00 0.00 H new ATOM 0 HA ASN C 2 -20.703 -2.292 4.965 1.00 0.00 H new ATOM 0 HB2 ASN C 2 -22.356 -4.669 4.065 1.00 0.00 H new ATOM 0 HB3 ASN C 2 -20.931 -4.856 5.068 1.00 0.00 H new ATOM 0 HD21 ASN C 2 -24.446 -3.408 6.634 1.00 0.00 H new ATOM 0 HD22 ASN C 2 -24.235 -3.674 4.900 1.00 0.00 H new ATOM 27 N GLN C 3 -19.863 -2.546 2.135 1.00 0.00 N ATOM 28 CA GLN C 3 -18.693 -2.654 1.280 1.00 0.00 C ATOM 29 C GLN C 3 -17.503 -2.081 2.019 1.00 0.00 C ATOM 30 O GLN C 3 -16.378 -2.565 1.900 1.00 0.00 O ATOM 31 CB GLN C 3 -18.910 -1.899 -0.026 1.00 0.00 C ATOM 32 CG GLN C 3 -19.668 -2.687 -1.073 1.00 0.00 C ATOM 33 CD GLN C 3 -19.955 -1.866 -2.315 1.00 0.00 C ATOM 34 OE1 GLN C 3 -19.207 -0.947 -2.655 1.00 0.00 O ATOM 35 NE2 GLN C 3 -21.029 -2.198 -3.011 1.00 0.00 N ATOM 0 H GLN C 3 -20.558 -1.869 1.820 1.00 0.00 H new ATOM 0 HA GLN C 3 -18.515 -3.702 1.037 1.00 0.00 H new ATOM 0 HB2 GLN C 3 -19.453 -0.978 0.185 1.00 0.00 H new ATOM 0 HB3 GLN C 3 -17.941 -1.612 -0.433 1.00 0.00 H new ATOM 0 HG2 GLN C 3 -19.091 -3.569 -1.349 1.00 0.00 H new ATOM 0 HG3 GLN C 3 -20.608 -3.041 -0.649 1.00 0.00 H new ATOM 0 HE21 GLN C 3 -21.623 -2.965 -2.697 1.00 0.00 H new ATOM 0 HE22 GLN C 3 -21.263 -1.687 -3.862 1.00 0.00 H new ATOM 44 N LYS C 4 -17.797 -1.053 2.803 1.00 0.00 N ATOM 45 CA LYS C 4 -16.828 -0.400 3.663 1.00 0.00 C ATOM 46 C LYS C 4 -16.329 -1.358 4.736 1.00 0.00 C ATOM 47 O LYS C 4 -15.229 -1.206 5.269 1.00 0.00 O ATOM 48 CB LYS C 4 -17.498 0.798 4.326 1.00 0.00 C ATOM 49 CG LYS C 4 -16.775 2.113 4.103 1.00 0.00 C ATOM 50 CD LYS C 4 -17.559 3.275 4.687 1.00 0.00 C ATOM 51 CE LYS C 4 -16.998 4.613 4.236 1.00 0.00 C ATOM 52 NZ LYS C 4 -17.066 4.774 2.761 1.00 0.00 N1+ ATOM 0 H LYS C 4 -18.730 -0.645 2.858 1.00 0.00 H new ATOM 0 HA LYS C 4 -15.975 -0.079 3.065 1.00 0.00 H new ATOM 0 HB2 LYS C 4 -18.516 0.887 3.948 1.00 0.00 H new ATOM 0 HB3 LYS C 4 -17.571 0.613 5.398 1.00 0.00 H new ATOM 0 HG2 LYS C 4 -15.787 2.070 4.561 1.00 0.00 H new ATOM 0 HG3 LYS C 4 -16.625 2.272 3.035 1.00 0.00 H new ATOM 0 HD2 LYS C 4 -18.604 3.198 4.385 1.00 0.00 H new ATOM 0 HD3 LYS C 4 -17.537 3.219 5.775 1.00 0.00 H new ATOM 0 HE2 LYS C 4 -17.553 5.419 4.715 1.00 0.00 H new ATOM 0 HE3 LYS C 4 -15.962 4.701 4.563 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 -17.020 5.785 2.520 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 -16.267 4.276 2.320 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 -17.959 4.375 2.409 1.00 0.00 H new ATOM 66 N ALA C 5 -17.164 -2.327 5.069 1.00 0.00 N ATOM 67 CA ALA C 5 -16.831 -3.304 6.084 1.00 0.00 C ATOM 68 C ALA C 5 -16.161 -4.526 5.476 1.00 0.00 C ATOM 69 O ALA C 5 -14.975 -4.775 5.690 1.00 0.00 O ATOM 70 CB ALA C 5 -18.078 -3.705 6.858 1.00 0.00 C ATOM 0 H ALA C 5 -18.083 -2.456 4.646 1.00 0.00 H new ATOM 0 HA ALA C 5 -16.122 -2.847 6.774 1.00 0.00 H new ATOM 0 HB1 ALA C 5 -17.814 -4.440 7.618 1.00 0.00 H new ATOM 0 HB2 ALA C 5 -18.507 -2.825 7.338 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -18.808 -4.137 6.173 1.00 0.00 H new ATOM 76 N LEU C 6 -16.935 -5.286 4.726 1.00 0.00 N ATOM 77 CA LEU C 6 -16.470 -6.551 4.171 1.00 0.00 C ATOM 78 C LEU C 6 -15.879 -6.396 2.772 1.00 0.00 C ATOM 79 O LEU C 6 -14.665 -6.385 2.610 1.00 0.00 O ATOM 80 CB LEU C 6 -17.603 -7.585 4.131 1.00 0.00 C ATOM 81 CG LEU C 6 -17.959 -8.248 5.469 1.00 0.00 C ATOM 82 CD1 LEU C 6 -18.641 -7.268 6.411 1.00 0.00 C ATOM 83 CD2 LEU C 6 -18.841 -9.462 5.234 1.00 0.00 C ATOM 0 H LEU C 6 -17.897 -5.050 4.483 1.00 0.00 H new ATOM 0 HA LEU C 6 -15.679 -6.900 4.834 1.00 0.00 H new ATOM 0 HB2 LEU C 6 -18.497 -7.099 3.740 1.00 0.00 H new ATOM 0 HB3 LEU C 6 -17.329 -8.367 3.423 1.00 0.00 H new ATOM 0 HG LEU C 6 -17.032 -8.570 5.942 1.00 0.00 H new ATOM 0 HD11 LEU C 6 -18.879 -7.770 7.349 1.00 0.00 H new ATOM 0 HD12 LEU C 6 -17.974 -6.429 6.608 1.00 0.00 H new ATOM 0 HD13 LEU C 6 -19.559 -6.901 5.952 1.00 0.00 H new ATOM 0 HD21 LEU C 6 -19.087 -9.924 6.190 1.00 0.00 H new ATOM 0 HD22 LEU C 6 -19.759 -9.154 4.733 1.00 0.00 H new ATOM 0 HD23 LEU C 6 -18.311 -10.181 4.609 1.00 0.00 H new ATOM 95 N GLU C 7 -16.769 -6.229 1.791 1.00 0.00 N ATOM 96 CA GLU C 7 -16.480 -6.447 0.362 1.00 0.00 C ATOM 97 C GLU C 7 -15.053 -6.093 -0.077 1.00 0.00 C ATOM 98 O GLU C 7 -14.200 -6.978 -0.192 1.00 0.00 O ATOM 99 CB GLU C 7 -17.494 -5.694 -0.493 1.00 0.00 C ATOM 100 CG GLU C 7 -18.928 -6.133 -0.251 1.00 0.00 C ATOM 101 CD GLU C 7 -19.106 -7.628 -0.410 1.00 0.00 C ATOM 102 OE1 GLU C 7 -19.008 -8.125 -1.551 1.00 0.00 O ATOM 103 OE2 GLU C 7 -19.347 -8.314 0.606 1.00 0.00 O1- ATOM 0 H GLU C 7 -17.729 -5.933 1.965 1.00 0.00 H new ATOM 0 HA GLU C 7 -16.565 -7.523 0.211 1.00 0.00 H new ATOM 0 HB2 GLU C 7 -17.409 -4.627 -0.290 1.00 0.00 H new ATOM 0 HB3 GLU C 7 -17.250 -5.838 -1.545 1.00 0.00 H new ATOM 0 HG2 GLU C 7 -19.231 -5.838 0.754 1.00 0.00 H new ATOM 0 HG3 GLU C 7 -19.587 -5.615 -0.948 1.00 0.00 H new ATOM 110 N GLU C 8 -14.793 -4.823 -0.348 1.00 0.00 N ATOM 111 CA GLU C 8 -13.492 -4.417 -0.888 1.00 0.00 C ATOM 112 C GLU C 8 -12.379 -4.559 0.145 1.00 0.00 C ATOM 113 O GLU C 8 -11.213 -4.743 -0.201 1.00 0.00 O ATOM 114 CB GLU C 8 -13.539 -2.978 -1.400 1.00 0.00 C ATOM 115 CG GLU C 8 -14.351 -2.794 -2.675 1.00 0.00 C ATOM 116 CD GLU C 8 -15.801 -3.171 -2.507 1.00 0.00 C ATOM 117 OE1 GLU C 8 -16.310 -3.969 -3.321 1.00 0.00 O ATOM 118 OE2 GLU C 8 -16.430 -2.686 -1.554 1.00 0.00 O1- ATOM 0 H GLU C 8 -15.454 -4.059 -0.207 1.00 0.00 H new ATOM 0 HA GLU C 8 -13.271 -5.086 -1.720 1.00 0.00 H new ATOM 0 HB2 GLU C 8 -13.958 -2.341 -0.621 1.00 0.00 H new ATOM 0 HB3 GLU C 8 -12.520 -2.635 -1.579 1.00 0.00 H new ATOM 0 HG2 GLU C 8 -14.286 -1.754 -2.994 1.00 0.00 H new ATOM 0 HG3 GLU C 8 -13.913 -3.399 -3.469 1.00 0.00 H new ATOM 125 N GLN C 9 -12.748 -4.476 1.408 1.00 0.00 N ATOM 126 CA GLN C 9 -11.789 -4.568 2.505 1.00 0.00 C ATOM 127 C GLN C 9 -11.475 -6.022 2.880 1.00 0.00 C ATOM 128 O GLN C 9 -10.911 -6.283 3.945 1.00 0.00 O ATOM 129 CB GLN C 9 -12.302 -3.808 3.733 1.00 0.00 C ATOM 130 CG GLN C 9 -12.073 -2.302 3.675 1.00 0.00 C ATOM 131 CD GLN C 9 -12.778 -1.625 2.515 1.00 0.00 C ATOM 132 OE1 GLN C 9 -13.919 -1.192 2.633 1.00 0.00 O ATOM 133 NE2 GLN C 9 -12.097 -1.519 1.388 1.00 0.00 N ATOM 0 H GLN C 9 -13.714 -4.344 1.708 1.00 0.00 H new ATOM 0 HA GLN C 9 -10.863 -4.110 2.158 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -13.369 -3.998 3.844 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -11.813 -4.205 4.623 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -12.415 -1.855 4.608 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -11.003 -2.108 3.602 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -11.149 -1.892 1.328 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -12.519 -1.065 0.578 1.00 0.00 H new ATOM 142 N MET C 10 -11.834 -6.963 2.014 1.00 0.00 N ATOM 143 CA MET C 10 -11.507 -8.371 2.236 1.00 0.00 C ATOM 144 C MET C 10 -10.128 -8.696 1.661 1.00 0.00 C ATOM 145 O MET C 10 -9.224 -7.858 1.698 1.00 0.00 O ATOM 146 CB MET C 10 -12.572 -9.293 1.625 1.00 0.00 C ATOM 147 CG MET C 10 -13.910 -9.248 2.341 1.00 0.00 C ATOM 148 SD MET C 10 -15.089 -10.461 1.709 1.00 0.00 S ATOM 149 CE MET C 10 -15.130 -10.037 -0.033 1.00 0.00 C ATOM 0 H MET C 10 -12.350 -6.780 1.153 1.00 0.00 H new ATOM 0 HA MET C 10 -11.489 -8.545 3.312 1.00 0.00 H new ATOM 0 HB2 MET C 10 -12.721 -9.018 0.581 1.00 0.00 H new ATOM 0 HB3 MET C 10 -12.200 -10.318 1.635 1.00 0.00 H new ATOM 0 HG2 MET C 10 -13.752 -9.423 3.405 1.00 0.00 H new ATOM 0 HG3 MET C 10 -14.336 -8.250 2.242 1.00 0.00 H new ATOM 0 HE1 MET C 10 -16.145 -10.157 -0.413 1.00 0.00 H new ATOM 0 HE2 MET C 10 -14.814 -9.002 -0.163 1.00 0.00 H new ATOM 0 HE3 MET C 10 -14.457 -10.694 -0.583 1.00 0.00 H new ATOM 159 N ASN C 11 -9.970 -9.901 1.115 1.00 0.00 N ATOM 160 CA ASN C 11 -8.682 -10.362 0.593 1.00 0.00 C ATOM 161 C ASN C 11 -8.175 -9.495 -0.555 1.00 0.00 C ATOM 162 O ASN C 11 -7.033 -9.651 -0.985 1.00 0.00 O ATOM 163 CB ASN C 11 -8.764 -11.823 0.142 1.00 0.00 C ATOM 164 CG ASN C 11 -8.938 -12.783 1.302 1.00 0.00 C ATOM 165 OD1 ASN C 11 -10.059 -13.104 1.694 1.00 0.00 O ATOM 166 ND2 ASN C 11 -7.829 -13.245 1.865 1.00 0.00 N ATOM 0 H ASN C 11 -10.724 -10.581 1.022 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.969 -10.278 1.413 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -9.599 -11.940 -0.549 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -7.858 -12.082 -0.406 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -7.888 -13.891 2.652 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -6.918 -12.955 1.510 1.00 0.00 H new ATOM 173 N SER C 12 -9.016 -8.590 -1.041 1.00 0.00 N ATOM 174 CA SER C 12 -8.615 -7.639 -2.069 1.00 0.00 C ATOM 175 C SER C 12 -7.306 -6.948 -1.683 1.00 0.00 C ATOM 176 O SER C 12 -6.396 -6.827 -2.502 1.00 0.00 O ATOM 177 CB SER C 12 -9.718 -6.600 -2.279 1.00 0.00 C ATOM 178 OG SER C 12 -10.966 -7.227 -2.535 1.00 0.00 O ATOM 0 H SER C 12 -9.985 -8.495 -0.737 1.00 0.00 H new ATOM 0 HA SER C 12 -8.455 -8.182 -3.001 1.00 0.00 H new ATOM 0 HB2 SER C 12 -9.799 -5.967 -1.395 1.00 0.00 H new ATOM 0 HB3 SER C 12 -9.456 -5.950 -3.114 1.00 0.00 H new ATOM 0 HG SER C 12 -11.656 -6.543 -2.664 1.00 0.00 H new ATOM 184 N ILE C 13 -7.200 -6.516 -0.426 1.00 0.00 N ATOM 185 CA ILE C 13 -5.971 -5.889 0.047 1.00 0.00 C ATOM 186 C ILE C 13 -5.017 -6.924 0.641 1.00 0.00 C ATOM 187 O ILE C 13 -3.809 -6.710 0.682 1.00 0.00 O ATOM 188 CB ILE C 13 -6.222 -4.789 1.099 1.00 0.00 C ATOM 189 CG1 ILE C 13 -6.836 -5.377 2.369 1.00 0.00 C ATOM 190 CG2 ILE C 13 -7.117 -3.696 0.533 1.00 0.00 C ATOM 191 CD1 ILE C 13 -6.675 -4.479 3.571 1.00 0.00 C ATOM 0 H ILE C 13 -7.940 -6.588 0.272 1.00 0.00 H new ATOM 0 HA ILE C 13 -5.523 -5.425 -0.832 1.00 0.00 H new ATOM 0 HB ILE C 13 -5.260 -4.347 1.358 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -7.897 -5.563 2.201 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -6.372 -6.341 2.578 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -7.281 -2.931 1.292 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -6.638 -3.248 -0.337 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -8.074 -4.126 0.239 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -7.131 -4.951 4.441 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -5.615 -4.313 3.762 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -7.163 -3.523 3.379 1.00 0.00 H new ATOM 203 N ASN C 14 -5.559 -8.042 1.110 1.00 0.00 N ATOM 204 CA ASN C 14 -4.736 -9.098 1.710 1.00 0.00 C ATOM 205 C ASN C 14 -3.814 -9.695 0.668 1.00 0.00 C ATOM 206 O ASN C 14 -2.682 -10.061 0.964 1.00 0.00 O ATOM 207 CB ASN C 14 -5.585 -10.218 2.292 1.00 0.00 C ATOM 208 CG ASN C 14 -6.532 -9.763 3.389 1.00 0.00 C ATOM 209 OD1 ASN C 14 -6.981 -8.619 3.412 1.00 0.00 O ATOM 210 ND2 ASN C 14 -6.853 -10.667 4.300 1.00 0.00 N ATOM 0 H ASN C 14 -6.558 -8.245 1.089 1.00 0.00 H new ATOM 0 HA ASN C 14 -4.162 -8.636 2.514 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -6.165 -10.675 1.491 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.927 -10.991 2.690 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -7.494 -10.424 5.055 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -6.459 -11.607 4.247 1.00 0.00 H new ATOM 217 N SER C 15 -4.317 -9.803 -0.554 1.00 0.00 N ATOM 218 CA SER C 15 -3.502 -10.243 -1.676 1.00 0.00 C ATOM 219 C SER C 15 -2.272 -9.348 -1.795 1.00 0.00 C ATOM 220 O SER C 15 -1.178 -9.811 -2.119 1.00 0.00 O ATOM 221 CB SER C 15 -4.325 -10.207 -2.968 1.00 0.00 C ATOM 222 OG SER C 15 -3.574 -10.678 -4.074 1.00 0.00 O ATOM 0 H SER C 15 -5.286 -9.592 -0.793 1.00 0.00 H new ATOM 0 HA SER C 15 -3.175 -11.269 -1.507 1.00 0.00 H new ATOM 0 HB2 SER C 15 -5.220 -10.817 -2.848 1.00 0.00 H new ATOM 0 HB3 SER C 15 -4.658 -9.187 -3.160 1.00 0.00 H new ATOM 0 HG SER C 15 -4.126 -10.644 -4.883 1.00 0.00 H new ATOM 228 N VAL C 16 -2.461 -8.067 -1.500 1.00 0.00 N ATOM 229 CA VAL C 16 -1.362 -7.119 -1.463 1.00 0.00 C ATOM 230 C VAL C 16 -0.478 -7.385 -0.248 1.00 0.00 C ATOM 231 O VAL C 16 0.747 -7.296 -0.331 1.00 0.00 O ATOM 232 CB VAL C 16 -1.869 -5.659 -1.426 1.00 0.00 C ATOM 233 CG1 VAL C 16 -0.704 -4.684 -1.369 1.00 0.00 C ATOM 234 CG2 VAL C 16 -2.733 -5.367 -2.640 1.00 0.00 C ATOM 0 H VAL C 16 -3.372 -7.663 -1.282 1.00 0.00 H new ATOM 0 HA VAL C 16 -0.781 -7.253 -2.376 1.00 0.00 H new ATOM 0 HB VAL C 16 -2.471 -5.532 -0.526 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -1.085 -3.663 -1.344 1.00 0.00 H new ATOM 0 HG12 VAL C 16 -0.114 -4.874 -0.472 1.00 0.00 H new ATOM 0 HG13 VAL C 16 -0.076 -4.815 -2.250 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -3.082 -4.335 -2.599 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -2.148 -5.516 -3.547 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -3.590 -6.040 -2.647 1.00 0.00 H new ATOM 244 N ASN C 17 -1.100 -7.752 0.871 1.00 0.00 N ATOM 245 CA ASN C 17 -0.357 -7.982 2.108 1.00 0.00 C ATOM 246 C ASN C 17 0.568 -9.185 1.967 1.00 0.00 C ATOM 247 O ASN C 17 1.749 -9.114 2.308 1.00 0.00 O ATOM 248 CB ASN C 17 -1.302 -8.191 3.295 1.00 0.00 C ATOM 249 CG ASN C 17 -1.846 -6.891 3.861 1.00 0.00 C ATOM 250 OD1 ASN C 17 -1.234 -6.279 4.730 1.00 0.00 O ATOM 251 ND2 ASN C 17 -3.001 -6.459 3.379 1.00 0.00 N ATOM 0 H ASN C 17 -2.107 -7.895 0.947 1.00 0.00 H new ATOM 0 HA ASN C 17 0.243 -7.092 2.298 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -2.135 -8.820 2.982 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.774 -8.730 4.082 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -3.408 -5.592 3.730 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -3.484 -6.993 2.656 1.00 0.00 H new ATOM 258 N ASP C 18 0.030 -10.276 1.435 1.00 0.00 N ATOM 259 CA ASP C 18 0.796 -11.508 1.241 1.00 0.00 C ATOM 260 C ASP C 18 1.861 -11.335 0.163 1.00 0.00 C ATOM 261 O ASP C 18 2.802 -12.126 0.074 1.00 0.00 O ATOM 262 CB ASP C 18 -0.128 -12.668 0.849 1.00 0.00 C ATOM 263 CG ASP C 18 -1.029 -13.127 1.977 1.00 0.00 C ATOM 264 OD1 ASP C 18 -0.530 -13.777 2.923 1.00 0.00 O ATOM 265 OD2 ASP C 18 -2.247 -12.859 1.915 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.941 -10.335 1.127 1.00 0.00 H new ATOM 0 HA ASP C 18 1.284 -11.735 2.189 1.00 0.00 H new ATOM 0 HB2 ASP C 18 -0.744 -12.362 0.003 1.00 0.00 H new ATOM 0 HB3 ASP C 18 0.479 -13.509 0.514 1.00 0.00 H new ATOM 270 N LYS C 19 1.714 -10.297 -0.648 1.00 0.00 N ATOM 271 CA LYS C 19 2.618 -10.062 -1.764 1.00 0.00 C ATOM 272 C LYS C 19 3.786 -9.189 -1.328 1.00 0.00 C ATOM 273 O LYS C 19 4.926 -9.393 -1.744 1.00 0.00 O ATOM 274 CB LYS C 19 1.855 -9.395 -2.913 1.00 0.00 C ATOM 275 CG LYS C 19 2.713 -9.053 -4.121 1.00 0.00 C ATOM 276 CD LYS C 19 1.874 -8.477 -5.254 1.00 0.00 C ATOM 277 CE LYS C 19 1.130 -7.218 -4.827 1.00 0.00 C ATOM 278 NZ LYS C 19 0.300 -6.665 -5.926 1.00 0.00 N1+ ATOM 0 H LYS C 19 0.974 -9.602 -0.553 1.00 0.00 H new ATOM 0 HA LYS C 19 3.015 -11.018 -2.106 1.00 0.00 H new ATOM 0 HB2 LYS C 19 1.049 -10.057 -3.230 1.00 0.00 H new ATOM 0 HB3 LYS C 19 1.390 -8.481 -2.542 1.00 0.00 H new ATOM 0 HG2 LYS C 19 3.480 -8.334 -3.833 1.00 0.00 H new ATOM 0 HG3 LYS C 19 3.229 -9.948 -4.468 1.00 0.00 H new ATOM 0 HD2 LYS C 19 2.519 -8.248 -6.103 1.00 0.00 H new ATOM 0 HD3 LYS C 19 1.157 -9.225 -5.592 1.00 0.00 H new ATOM 0 HE2 LYS C 19 0.494 -7.445 -3.971 1.00 0.00 H new ATOM 0 HE3 LYS C 19 1.848 -6.466 -4.500 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 -0.190 -5.809 -5.595 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 0.909 -6.424 -6.734 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 -0.402 -7.373 -6.221 1.00 0.00 H new ATOM 292 N LEU C 20 3.489 -8.220 -0.481 1.00 0.00 N ATOM 293 CA LEU C 20 4.490 -7.272 -0.020 1.00 0.00 C ATOM 294 C LEU C 20 5.243 -7.802 1.197 1.00 0.00 C ATOM 295 O LEU C 20 6.392 -7.430 1.436 1.00 0.00 O ATOM 296 CB LEU C 20 3.816 -5.940 0.294 1.00 0.00 C ATOM 297 CG LEU C 20 3.139 -5.266 -0.905 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.634 -3.884 -0.532 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.090 -5.184 -2.090 1.00 0.00 C ATOM 0 H LEU C 20 2.557 -8.068 -0.096 1.00 0.00 H new ATOM 0 HA LEU C 20 5.225 -7.126 -0.812 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.070 -6.100 1.072 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.562 -5.259 0.703 1.00 0.00 H new ATOM 0 HG LEU C 20 2.284 -5.877 -1.195 1.00 0.00 H new ATOM 0 HD11 LEU C 20 2.157 -3.425 -1.398 1.00 0.00 H new ATOM 0 HD12 LEU C 20 1.910 -3.968 0.279 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.471 -3.266 -0.208 1.00 0.00 H new ATOM 0 HD21 LEU C 20 3.586 -4.702 -2.928 1.00 0.00 H new ATOM 0 HD22 LEU C 20 4.969 -4.602 -1.812 1.00 0.00 H new ATOM 0 HD23 LEU C 20 4.397 -6.189 -2.380 1.00 0.00 H new ATOM 311 N ASN C 21 4.598 -8.667 1.967 1.00 0.00 N ATOM 312 CA ASN C 21 5.265 -9.326 3.083 1.00 0.00 C ATOM 313 C ASN C 21 6.097 -10.497 2.566 1.00 0.00 C ATOM 314 O ASN C 21 5.639 -11.642 2.544 1.00 0.00 O ATOM 315 CB ASN C 21 4.244 -9.800 4.128 1.00 0.00 C ATOM 316 CG ASN C 21 3.881 -8.713 5.130 1.00 0.00 C ATOM 317 OD1 ASN C 21 4.530 -8.579 6.169 1.00 0.00 O ATOM 318 ND2 ASN C 21 2.843 -7.935 4.842 1.00 0.00 N ATOM 0 H ASN C 21 3.620 -8.928 1.842 1.00 0.00 H new ATOM 0 HA ASN C 21 5.928 -8.610 3.570 1.00 0.00 H new ATOM 0 HB2 ASN C 21 3.340 -10.137 3.620 1.00 0.00 H new ATOM 0 HB3 ASN C 21 4.649 -10.660 4.662 1.00 0.00 H new ATOM 0 HD21 ASN C 21 2.562 -7.199 5.490 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.328 -8.073 3.973 1.00 0.00 H new ATOM 325 N LYS C 22 7.316 -10.196 2.133 1.00 0.00 N ATOM 326 CA LYS C 22 8.166 -11.191 1.482 1.00 0.00 C ATOM 327 C LYS C 22 9.500 -11.433 2.200 1.00 0.00 C ATOM 328 O LYS C 22 9.945 -12.572 2.314 1.00 0.00 O ATOM 329 CB LYS C 22 8.417 -10.802 0.015 1.00 0.00 C ATOM 330 CG LYS C 22 8.417 -9.298 -0.280 1.00 0.00 C ATOM 331 CD LYS C 22 9.454 -8.534 0.534 1.00 0.00 C ATOM 332 CE LYS C 22 9.710 -7.150 -0.028 1.00 0.00 C ATOM 333 NZ LYS C 22 10.306 -7.217 -1.390 1.00 0.00 N1+ ATOM 0 H LYS C 22 7.739 -9.272 2.220 1.00 0.00 H new ATOM 0 HA LYS C 22 7.619 -12.132 1.531 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.378 -11.214 -0.292 1.00 0.00 H new ATOM 0 HB3 LYS C 22 7.654 -11.275 -0.603 1.00 0.00 H new ATOM 0 HG2 LYS C 22 8.608 -9.141 -1.342 1.00 0.00 H new ATOM 0 HG3 LYS C 22 7.427 -8.892 -0.071 1.00 0.00 H new ATOM 0 HD2 LYS C 22 9.114 -8.449 1.566 1.00 0.00 H new ATOM 0 HD3 LYS C 22 10.387 -9.097 0.551 1.00 0.00 H new ATOM 0 HE2 LYS C 22 8.774 -6.593 -0.066 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.379 -6.604 0.637 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 11.107 -6.557 -1.451 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 10.639 -8.184 -1.576 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 9.588 -6.956 -2.096 1.00 0.00 H new ATOM 347 N GLY C 23 10.129 -10.377 2.689 1.00 0.00 N ATOM 348 CA GLY C 23 11.465 -10.495 3.242 1.00 0.00 C ATOM 349 C GLY C 23 12.018 -9.144 3.620 1.00 0.00 C ATOM 350 O GLY C 23 12.175 -8.847 4.804 1.00 0.00 O ATOM 0 H GLY C 23 9.738 -9.435 2.714 1.00 0.00 H new ATOM 0 HA2 GLY C 23 11.443 -11.141 4.120 1.00 0.00 H new ATOM 0 HA3 GLY C 23 12.123 -10.970 2.514 1.00 0.00 H new ATOM 354 N LYS C 24 12.307 -8.314 2.620 1.00 0.00 N ATOM 355 CA LYS C 24 12.636 -6.921 2.875 1.00 0.00 C ATOM 356 C LYS C 24 11.363 -6.158 3.192 1.00 0.00 C ATOM 357 O LYS C 24 10.360 -6.762 3.574 1.00 0.00 O ATOM 358 CB LYS C 24 13.344 -6.274 1.692 1.00 0.00 C ATOM 359 CG LYS C 24 14.487 -7.106 1.149 1.00 0.00 C ATOM 360 CD LYS C 24 15.068 -6.470 -0.087 1.00 0.00 C ATOM 361 CE LYS C 24 16.351 -7.154 -0.531 1.00 0.00 C ATOM 362 NZ LYS C 24 16.147 -8.601 -0.800 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.319 -8.582 1.636 1.00 0.00 H new ATOM 0 HA LYS C 24 13.320 -6.886 3.723 1.00 0.00 H new ATOM 0 HB2 LYS C 24 12.620 -6.100 0.896 1.00 0.00 H new ATOM 0 HB3 LYS C 24 13.726 -5.299 1.995 1.00 0.00 H new ATOM 0 HG2 LYS C 24 15.261 -7.209 1.909 1.00 0.00 H new ATOM 0 HG3 LYS C 24 14.134 -8.110 0.915 1.00 0.00 H new ATOM 0 HD2 LYS C 24 14.337 -6.512 -0.894 1.00 0.00 H new ATOM 0 HD3 LYS C 24 15.268 -5.416 0.107 1.00 0.00 H new ATOM 0 HE2 LYS C 24 16.728 -6.668 -1.431 1.00 0.00 H new ATOM 0 HE3 LYS C 24 17.112 -7.032 0.240 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 17.007 -8.999 -1.228 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 15.944 -9.095 0.092 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 15.347 -8.723 -1.453 1.00 0.00 H new ATOM 376 N GLY C 25 11.416 -4.843 3.025 1.00 0.00 N ATOM 377 CA GLY C 25 10.284 -3.983 3.322 1.00 0.00 C ATOM 378 C GLY C 25 8.951 -4.558 2.939 1.00 0.00 C ATOM 379 O GLY C 25 8.746 -5.015 1.816 1.00 0.00 O ATOM 0 H GLY C 25 12.239 -4.348 2.682 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.279 -3.766 4.390 1.00 0.00 H new ATOM 0 HA3 GLY C 25 10.419 -3.033 2.804 1.00 0.00 H new ATOM 383 N LYS C 26 8.045 -4.508 3.882 1.00 0.00 N ATOM 384 CA LYS C 26 6.757 -5.141 3.735 1.00 0.00 C ATOM 385 C LYS C 26 5.668 -4.195 4.192 1.00 0.00 C ATOM 386 O LYS C 26 5.857 -3.447 5.151 1.00 0.00 O ATOM 387 CB LYS C 26 6.758 -6.412 4.564 1.00 0.00 C ATOM 388 CG LYS C 26 7.271 -6.173 5.968 1.00 0.00 C ATOM 389 CD LYS C 26 7.918 -7.418 6.542 1.00 0.00 C ATOM 390 CE LYS C 26 9.410 -7.427 6.255 1.00 0.00 C ATOM 391 NZ LYS C 26 10.015 -8.768 6.481 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.178 -4.028 4.772 1.00 0.00 H new ATOM 0 HA LYS C 26 6.566 -5.390 2.691 1.00 0.00 H new ATOM 0 HB2 LYS C 26 5.746 -6.815 4.611 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.378 -7.164 4.075 1.00 0.00 H new ATOM 0 HG2 LYS C 26 7.994 -5.357 5.958 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.447 -5.861 6.610 1.00 0.00 H new ATOM 0 HD2 LYS C 26 7.749 -7.459 7.618 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.454 -8.306 6.113 1.00 0.00 H new ATOM 0 HE2 LYS C 26 9.582 -7.121 5.223 1.00 0.00 H new ATOM 0 HE3 LYS C 26 9.906 -6.694 6.892 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.942 -8.814 6.012 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 10.135 -8.927 7.502 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 9.391 -9.501 6.087 1.00 0.00 H new ATOM 405 N LEU C 27 4.540 -4.223 3.514 1.00 0.00 N ATOM 406 CA LEU C 27 3.477 -3.285 3.798 1.00 0.00 C ATOM 407 C LEU C 27 2.223 -4.004 4.277 1.00 0.00 C ATOM 408 O LEU C 27 1.707 -4.897 3.604 1.00 0.00 O ATOM 409 CB LEU C 27 3.174 -2.448 2.556 1.00 0.00 C ATOM 410 CG LEU C 27 2.198 -1.299 2.777 1.00 0.00 C ATOM 411 CD1 LEU C 27 2.724 -0.372 3.853 1.00 0.00 C ATOM 412 CD2 LEU C 27 1.968 -0.538 1.480 1.00 0.00 C ATOM 0 H LEU C 27 4.337 -4.884 2.764 1.00 0.00 H new ATOM 0 HA LEU C 27 3.808 -2.624 4.599 1.00 0.00 H new ATOM 0 HB2 LEU C 27 4.110 -2.041 2.173 1.00 0.00 H new ATOM 0 HB3 LEU C 27 2.772 -3.103 1.784 1.00 0.00 H new ATOM 0 HG LEU C 27 1.242 -1.708 3.105 1.00 0.00 H new ATOM 0 HD11 LEU C 27 2.020 0.446 4.004 1.00 0.00 H new ATOM 0 HD12 LEU C 27 2.842 -0.926 4.784 1.00 0.00 H new ATOM 0 HD13 LEU C 27 3.689 0.032 3.546 1.00 0.00 H new ATOM 0 HD21 LEU C 27 1.268 0.279 1.657 1.00 0.00 H new ATOM 0 HD22 LEU C 27 2.915 -0.134 1.122 1.00 0.00 H new ATOM 0 HD23 LEU C 27 1.556 -1.213 0.730 1.00 0.00 H new ATOM 424 N SER C 28 1.760 -3.622 5.457 1.00 0.00 N ATOM 425 CA SER C 28 0.538 -4.164 6.021 1.00 0.00 C ATOM 426 C SER C 28 -0.615 -3.186 5.815 1.00 0.00 C ATOM 427 O SER C 28 -0.710 -2.173 6.509 1.00 0.00 O ATOM 428 CB SER C 28 0.728 -4.435 7.512 1.00 0.00 C ATOM 429 OG SER C 28 1.811 -5.320 7.730 1.00 0.00 O ATOM 0 H SER C 28 2.221 -2.930 6.048 1.00 0.00 H new ATOM 0 HA SER C 28 0.302 -5.100 5.515 1.00 0.00 H new ATOM 0 HB2 SER C 28 0.909 -3.497 8.036 1.00 0.00 H new ATOM 0 HB3 SER C 28 -0.185 -4.862 7.928 1.00 0.00 H new ATOM 0 HG SER C 28 1.916 -5.478 8.691 1.00 0.00 H new ATOM 435 N LEU C 29 -1.483 -3.494 4.865 1.00 0.00 N ATOM 436 CA LEU C 29 -2.591 -2.613 4.517 1.00 0.00 C ATOM 437 C LEU C 29 -3.736 -2.775 5.483 1.00 0.00 C ATOM 438 O LEU C 29 -4.129 -3.894 5.812 1.00 0.00 O ATOM 439 CB LEU C 29 -3.093 -2.889 3.094 1.00 0.00 C ATOM 440 CG LEU C 29 -2.174 -2.450 1.952 1.00 0.00 C ATOM 441 CD1 LEU C 29 -0.921 -3.310 1.888 1.00 0.00 C ATOM 442 CD2 LEU C 29 -2.925 -2.506 0.630 1.00 0.00 C ATOM 0 H LEU C 29 -1.443 -4.353 4.317 1.00 0.00 H new ATOM 0 HA LEU C 29 -2.216 -1.591 4.572 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -3.272 -3.960 2.996 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -4.055 -2.392 2.969 1.00 0.00 H new ATOM 0 HG LEU C 29 -1.862 -1.423 2.142 1.00 0.00 H new ATOM 0 HD11 LEU C 29 -0.289 -2.972 1.066 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -0.373 -3.224 2.826 1.00 0.00 H new ATOM 0 HD13 LEU C 29 -1.202 -4.351 1.726 1.00 0.00 H new ATOM 0 HD21 LEU C 29 -2.264 -2.192 -0.178 1.00 0.00 H new ATOM 0 HD22 LEU C 29 -3.263 -3.526 0.446 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -3.787 -1.840 0.673 1.00 0.00 H new ATOM 454 N SER C 30 -4.263 -1.656 5.947 1.00 0.00 N ATOM 455 CA SER C 30 -5.443 -1.682 6.766 1.00 0.00 C ATOM 456 C SER C 30 -6.305 -0.462 6.473 1.00 0.00 C ATOM 457 O SER C 30 -5.805 0.665 6.412 1.00 0.00 O ATOM 458 CB SER C 30 -5.067 -1.749 8.248 1.00 0.00 C ATOM 459 OG SER C 30 -6.203 -1.990 9.061 1.00 0.00 O ATOM 0 H SER C 30 -3.888 -0.725 5.767 1.00 0.00 H new ATOM 0 HA SER C 30 -6.020 -2.576 6.529 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.333 -2.540 8.403 1.00 0.00 H new ATOM 0 HB3 SER C 30 -4.596 -0.813 8.548 1.00 0.00 H new ATOM 0 HG SER C 30 -5.930 -2.029 10.001 1.00 0.00 H new ATOM 465 N MET C 31 -7.591 -0.694 6.264 1.00 0.00 N ATOM 466 CA MET C 31 -8.522 0.379 5.954 1.00 0.00 C ATOM 467 C MET C 31 -9.545 0.512 7.068 1.00 0.00 C ATOM 468 O MET C 31 -10.071 -0.489 7.555 1.00 0.00 O ATOM 469 CB MET C 31 -9.229 0.108 4.623 1.00 0.00 C ATOM 470 CG MET C 31 -8.276 -0.055 3.449 1.00 0.00 C ATOM 471 SD MET C 31 -9.122 -0.329 1.880 1.00 0.00 S ATOM 472 CE MET C 31 -10.056 1.193 1.727 1.00 0.00 C ATOM 0 H MET C 31 -8.015 -1.621 6.304 1.00 0.00 H new ATOM 0 HA MET C 31 -7.964 1.311 5.866 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.832 -0.795 4.719 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.915 0.928 4.412 1.00 0.00 H new ATOM 0 HG2 MET C 31 -7.654 0.836 3.368 1.00 0.00 H new ATOM 0 HG3 MET C 31 -7.608 -0.894 3.645 1.00 0.00 H new ATOM 0 HE1 MET C 31 -10.325 1.351 0.683 1.00 0.00 H new ATOM 0 HE2 MET C 31 -10.962 1.126 2.329 1.00 0.00 H new ATOM 0 HE3 MET C 31 -9.449 2.029 2.076 1.00 0.00 H new ATOM 482 N ASN C 32 -9.808 1.740 7.484 1.00 0.00 N ATOM 483 CA ASN C 32 -10.774 1.986 8.545 1.00 0.00 C ATOM 484 C ASN C 32 -11.695 3.131 8.170 1.00 0.00 C ATOM 485 O ASN C 32 -11.416 4.290 8.488 1.00 0.00 O ATOM 486 CB ASN C 32 -10.063 2.319 9.862 1.00 0.00 C ATOM 487 CG ASN C 32 -9.251 1.163 10.405 1.00 0.00 C ATOM 488 OD1 ASN C 32 -8.076 1.008 10.080 1.00 0.00 O ATOM 489 ND2 ASN C 32 -9.872 0.347 11.241 1.00 0.00 N ATOM 0 H ASN C 32 -9.369 2.579 7.106 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.362 1.078 8.677 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -9.407 3.176 9.708 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -10.805 2.615 10.604 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -9.374 -0.448 11.642 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -10.849 0.512 11.484 1.00 0.00 H new ATOM 496 N GLY C 33 -12.798 2.798 7.509 1.00 0.00 N ATOM 497 CA GLY C 33 -13.781 3.796 7.138 1.00 0.00 C ATOM 498 C GLY C 33 -13.230 4.823 6.165 1.00 0.00 C ATOM 499 O GLY C 33 -13.252 4.613 4.953 1.00 0.00 O ATOM 0 H GLY C 33 -13.029 1.847 7.222 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.644 3.302 6.690 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -14.135 4.304 8.035 1.00 0.00 H new ATOM 503 N ASN C 34 -12.730 5.932 6.694 1.00 0.00 N ATOM 504 CA ASN C 34 -12.201 7.010 5.871 1.00 0.00 C ATOM 505 C ASN C 34 -10.688 7.086 5.982 1.00 0.00 C ATOM 506 O ASN C 34 -10.103 8.159 5.836 1.00 0.00 O ATOM 507 CB ASN C 34 -12.782 8.359 6.306 1.00 0.00 C ATOM 508 CG ASN C 34 -12.494 8.690 7.767 1.00 0.00 C ATOM 509 OD1 ASN C 34 -13.392 8.652 8.607 1.00 0.00 O ATOM 510 ND2 ASN C 34 -11.237 8.968 8.093 1.00 0.00 N ATOM 0 H ASN C 34 -12.680 6.108 7.697 1.00 0.00 H new ATOM 0 HA ASN C 34 -12.484 6.797 4.840 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -12.371 9.146 5.673 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -13.860 8.352 6.147 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -10.992 9.158 9.065 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -10.516 8.991 7.372 1.00 0.00 H new ATOM 517 N GLN C 35 -10.045 5.967 6.225 1.00 0.00 N ATOM 518 CA GLN C 35 -8.648 5.999 6.584 1.00 0.00 C ATOM 519 C GLN C 35 -7.888 4.825 6.004 1.00 0.00 C ATOM 520 O GLN C 35 -8.378 3.696 5.966 1.00 0.00 O ATOM 521 CB GLN C 35 -8.493 6.002 8.102 1.00 0.00 C ATOM 522 CG GLN C 35 -7.051 6.151 8.545 1.00 0.00 C ATOM 523 CD GLN C 35 -6.872 5.989 10.041 1.00 0.00 C ATOM 524 OE1 GLN C 35 -7.769 6.296 10.827 1.00 0.00 O ATOM 525 NE2 GLN C 35 -5.703 5.522 10.447 1.00 0.00 N ATOM 0 H GLN C 35 -10.460 5.036 6.181 1.00 0.00 H new ATOM 0 HA GLN C 35 -8.228 6.914 6.167 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -9.083 6.817 8.521 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -8.898 5.074 8.506 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.440 5.411 8.029 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -6.684 7.132 8.245 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -4.986 5.279 9.764 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -5.519 5.405 11.443 1.00 0.00 H new ATOM 534 N LEU C 36 -6.681 5.117 5.562 1.00 0.00 N ATOM 535 CA LEU C 36 -5.743 4.108 5.134 1.00 0.00 C ATOM 536 C LEU C 36 -4.521 4.206 6.036 1.00 0.00 C ATOM 537 O LEU C 36 -3.891 5.256 6.113 1.00 0.00 O ATOM 538 CB LEU C 36 -5.379 4.346 3.658 1.00 0.00 C ATOM 539 CG LEU C 36 -4.629 3.214 2.918 1.00 0.00 C ATOM 540 CD1 LEU C 36 -3.237 2.985 3.485 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.429 1.924 2.952 1.00 0.00 C ATOM 0 H LEU C 36 -6.324 6.070 5.491 1.00 0.00 H new ATOM 0 HA LEU C 36 -6.167 3.107 5.210 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -6.300 4.552 3.113 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.768 5.247 3.603 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.515 3.532 1.882 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.748 2.181 2.935 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.651 3.899 3.390 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.313 2.710 4.537 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.882 1.142 2.425 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.588 1.621 3.987 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -6.393 2.081 2.468 1.00 0.00 H new ATOM 553 N LYS C 37 -4.229 3.138 6.755 1.00 0.00 N ATOM 554 CA LYS C 37 -3.044 3.073 7.598 1.00 0.00 C ATOM 555 C LYS C 37 -2.303 1.779 7.260 1.00 0.00 C ATOM 556 O LYS C 37 -2.733 0.679 7.615 1.00 0.00 O ATOM 557 CB LYS C 37 -3.435 3.095 9.083 1.00 0.00 C ATOM 558 CG LYS C 37 -4.445 2.027 9.472 1.00 0.00 C ATOM 559 CD LYS C 37 -4.539 1.859 10.976 1.00 0.00 C ATOM 560 CE LYS C 37 -5.318 0.606 11.335 1.00 0.00 C ATOM 561 NZ LYS C 37 -5.335 0.354 12.797 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.802 2.294 6.773 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.404 3.936 7.415 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.536 2.968 9.687 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -3.846 4.075 9.326 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.425 2.292 9.074 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -4.163 1.077 9.018 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.538 1.804 11.403 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -5.024 2.731 11.414 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -6.342 0.701 10.973 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -4.878 -0.251 10.826 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -5.878 -0.511 12.994 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -4.360 0.237 13.140 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -5.779 1.159 13.283 1.00 0.00 H new ATOM 575 N ALA C 38 -1.219 1.904 6.536 1.00 0.00 N ATOM 576 CA ALA C 38 -0.439 0.750 6.142 1.00 0.00 C ATOM 577 C ALA C 38 0.963 0.838 6.721 1.00 0.00 C ATOM 578 O ALA C 38 1.711 1.770 6.423 1.00 0.00 O ATOM 579 CB ALA C 38 -0.403 0.642 4.626 1.00 0.00 C ATOM 0 H ALA C 38 -0.853 2.796 6.205 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.907 -0.151 6.537 1.00 0.00 H new ATOM 0 HB1 ALA C 38 0.186 -0.229 4.337 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -1.419 0.536 4.245 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.050 1.541 4.208 1.00 0.00 H new ATOM 585 N THR C 39 1.321 -0.136 7.536 1.00 0.00 N ATOM 586 CA THR C 39 2.585 -0.088 8.245 1.00 0.00 C ATOM 587 C THR C 39 3.648 -0.908 7.530 1.00 0.00 C ATOM 588 O THR C 39 3.359 -1.950 6.940 1.00 0.00 O ATOM 589 CB THR C 39 2.432 -0.599 9.689 1.00 0.00 C ATOM 590 OG1 THR C 39 1.957 -1.948 9.679 1.00 0.00 O ATOM 591 CG2 THR C 39 1.470 0.276 10.476 1.00 0.00 C ATOM 0 H THR C 39 0.758 -0.966 7.723 1.00 0.00 H new ATOM 0 HA THR C 39 2.899 0.955 8.269 1.00 0.00 H new ATOM 0 HB THR C 39 3.409 -0.559 10.171 1.00 0.00 H new ATOM 0 HG1 THR C 39 1.863 -2.269 10.600 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.379 -0.106 11.493 1.00 0.00 H new ATOM 0 HG22 THR C 39 1.848 1.298 10.505 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.492 0.265 9.996 1.00 0.00 H new ATOM 599 N SER C 40 4.873 -0.425 7.595 1.00 0.00 N ATOM 600 CA SER C 40 5.997 -1.073 6.950 1.00 0.00 C ATOM 601 C SER C 40 6.920 -1.683 7.986 1.00 0.00 C ATOM 602 O SER C 40 7.465 -0.979 8.838 1.00 0.00 O ATOM 603 CB SER C 40 6.749 -0.056 6.110 1.00 0.00 C ATOM 604 OG SER C 40 7.017 1.111 6.863 1.00 0.00 O ATOM 0 H SER C 40 5.117 0.429 8.097 1.00 0.00 H new ATOM 0 HA SER C 40 5.630 -1.872 6.306 1.00 0.00 H new ATOM 0 HB2 SER C 40 7.684 -0.489 5.756 1.00 0.00 H new ATOM 0 HB3 SER C 40 6.162 0.201 5.228 1.00 0.00 H new ATOM 0 HG SER C 40 7.305 0.859 7.765 1.00 0.00 H new ATOM 610 N SER C 41 7.087 -2.988 7.921 1.00 0.00 N ATOM 611 CA SER C 41 7.971 -3.667 8.840 1.00 0.00 C ATOM 612 C SER C 41 9.347 -3.841 8.197 1.00 0.00 C ATOM 613 O SER C 41 9.597 -3.296 7.116 1.00 0.00 O ATOM 614 CB SER C 41 7.376 -5.015 9.265 1.00 0.00 C ATOM 615 OG SER C 41 8.109 -5.601 10.327 1.00 0.00 O ATOM 0 H SER C 41 6.624 -3.595 7.245 1.00 0.00 H new ATOM 0 HA SER C 41 8.086 -3.063 9.740 1.00 0.00 H new ATOM 0 HB2 SER C 41 6.340 -4.874 9.572 1.00 0.00 H new ATOM 0 HB3 SER C 41 7.366 -5.693 8.412 1.00 0.00 H new ATOM 0 HG SER C 41 7.701 -6.457 10.573 1.00 0.00 H new ATOM 621 N ASN C 42 10.198 -4.629 8.861 1.00 0.00 N ATOM 622 CA ASN C 42 11.622 -4.776 8.524 1.00 0.00 C ATOM 623 C ASN C 42 12.429 -3.621 9.096 1.00 0.00 C ATOM 624 O ASN C 42 13.550 -3.360 8.663 1.00 0.00 O ATOM 625 CB ASN C 42 11.868 -4.902 7.014 1.00 0.00 C ATOM 626 CG ASN C 42 12.791 -6.057 6.665 1.00 0.00 C ATOM 627 OD1 ASN C 42 13.558 -5.984 5.708 1.00 0.00 O ATOM 628 ND2 ASN C 42 12.714 -7.138 7.426 1.00 0.00 N ATOM 0 H ASN C 42 9.914 -5.193 9.662 1.00 0.00 H new ATOM 0 HA ASN C 42 11.955 -5.709 8.978 1.00 0.00 H new ATOM 0 HB2 ASN C 42 10.914 -5.038 6.505 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.299 -3.973 6.641 1.00 0.00 H new ATOM 0 HD21 ASN C 42 13.304 -7.946 7.226 1.00 0.00 H new ATOM 0 HD22 ASN C 42 12.065 -7.163 8.213 1.00 0.00 H new ATOM 635 N ALA C 43 11.840 -2.935 10.074 1.00 0.00 N ATOM 636 CA ALA C 43 12.519 -1.883 10.832 1.00 0.00 C ATOM 637 C ALA C 43 13.077 -0.778 9.936 1.00 0.00 C ATOM 638 O ALA C 43 14.133 -0.210 10.223 1.00 0.00 O ATOM 639 CB ALA C 43 13.625 -2.483 11.690 1.00 0.00 C ATOM 0 H ALA C 43 10.875 -3.093 10.365 1.00 0.00 H new ATOM 0 HA ALA C 43 11.772 -1.419 11.476 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.122 -1.690 12.249 1.00 0.00 H new ATOM 0 HB2 ALA C 43 13.195 -3.203 12.386 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.350 -2.986 11.050 1.00 0.00 H new ATOM 645 N GLY C 44 12.378 -0.481 8.850 1.00 0.00 N ATOM 646 CA GLY C 44 12.778 0.625 8.003 1.00 0.00 C ATOM 647 C GLY C 44 13.453 0.181 6.722 1.00 0.00 C ATOM 648 O GLY C 44 13.549 0.959 5.768 1.00 0.00 O ATOM 0 H GLY C 44 11.545 -0.983 8.541 1.00 0.00 H new ATOM 0 HA2 GLY C 44 11.900 1.221 7.756 1.00 0.00 H new ATOM 0 HA3 GLY C 44 13.457 1.273 8.558 1.00 0.00 H new ATOM 652 N TYR C 45 13.927 -1.062 6.694 1.00 0.00 N ATOM 653 CA TYR C 45 14.553 -1.614 5.497 1.00 0.00 C ATOM 654 C TYR C 45 13.588 -1.558 4.323 1.00 0.00 C ATOM 655 O TYR C 45 12.388 -1.798 4.476 1.00 0.00 O ATOM 656 CB TYR C 45 15.012 -3.053 5.734 1.00 0.00 C ATOM 657 CG TYR C 45 16.341 -3.157 6.456 1.00 0.00 C ATOM 658 CD1 TYR C 45 16.427 -2.933 7.824 1.00 0.00 C ATOM 659 CD2 TYR C 45 17.510 -3.479 5.772 1.00 0.00 C ATOM 660 CE1 TYR C 45 17.632 -3.026 8.487 1.00 0.00 C ATOM 661 CE2 TYR C 45 18.718 -3.575 6.433 1.00 0.00 C ATOM 662 CZ TYR C 45 18.773 -3.347 7.788 1.00 0.00 C ATOM 663 OH TYR C 45 19.975 -3.440 8.450 1.00 0.00 O ATOM 0 H TYR C 45 13.889 -1.705 7.485 1.00 0.00 H new ATOM 0 HA TYR C 45 15.430 -1.010 5.264 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.252 -3.577 6.313 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.089 -3.563 4.774 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.535 -2.682 8.378 1.00 0.00 H new ATOM 0 HD2 TYR C 45 17.471 -3.656 4.707 1.00 0.00 H new ATOM 0 HE1 TYR C 45 17.680 -2.848 9.551 1.00 0.00 H new ATOM 0 HE2 TYR C 45 19.616 -3.828 5.889 1.00 0.00 H new ATOM 0 HH TYR C 45 20.682 -3.676 7.813 1.00 0.00 H new ATOM 673 N GLY C 46 14.120 -1.225 3.160 1.00 0.00 N ATOM 674 CA GLY C 46 13.285 -1.029 2.001 1.00 0.00 C ATOM 675 C GLY C 46 12.876 -2.323 1.355 1.00 0.00 C ATOM 676 O GLY C 46 13.537 -3.344 1.512 1.00 0.00 O ATOM 0 H GLY C 46 15.118 -1.087 2.999 1.00 0.00 H new ATOM 0 HA2 GLY C 46 12.393 -0.474 2.291 1.00 0.00 H new ATOM 0 HA3 GLY C 46 13.818 -0.417 1.273 1.00 0.00 H new ATOM 680 N ILE C 47 11.766 -2.261 0.641 1.00 0.00 N ATOM 681 CA ILE C 47 11.181 -3.413 -0.030 1.00 0.00 C ATOM 682 C ILE C 47 12.155 -4.076 -0.973 1.00 0.00 C ATOM 683 O ILE C 47 12.358 -5.287 -0.940 1.00 0.00 O ATOM 684 CB ILE C 47 10.008 -2.970 -0.896 1.00 0.00 C ATOM 685 CG1 ILE C 47 8.917 -2.315 -0.054 1.00 0.00 C ATOM 686 CG2 ILE C 47 9.470 -4.141 -1.696 1.00 0.00 C ATOM 687 CD1 ILE C 47 7.926 -1.518 -0.868 1.00 0.00 C ATOM 0 H ILE C 47 11.237 -1.399 0.508 1.00 0.00 H new ATOM 0 HA ILE C 47 10.882 -4.104 0.758 1.00 0.00 H new ATOM 0 HB ILE C 47 10.364 -2.218 -1.600 1.00 0.00 H new ATOM 0 HG12 ILE C 47 8.383 -3.087 0.499 1.00 0.00 H new ATOM 0 HG13 ILE C 47 9.382 -1.659 0.682 1.00 0.00 H new ATOM 0 HG21 ILE C 47 8.633 -3.808 -2.309 1.00 0.00 H new ATOM 0 HG22 ILE C 47 10.257 -4.535 -2.339 1.00 0.00 H new ATOM 0 HG23 ILE C 47 9.133 -4.923 -1.015 1.00 0.00 H new ATOM 0 HD11 ILE C 47 7.179 -1.081 -0.205 1.00 0.00 H new ATOM 0 HD12 ILE C 47 8.448 -0.723 -1.401 1.00 0.00 H new ATOM 0 HD13 ILE C 47 7.434 -2.174 -1.586 1.00 0.00 H new ATOM 699 N SER C 48 12.704 -3.274 -1.851 1.00 0.00 N ATOM 700 CA SER C 48 13.467 -3.790 -2.947 1.00 0.00 C ATOM 701 C SER C 48 14.906 -3.342 -2.860 1.00 0.00 C ATOM 702 O SER C 48 15.292 -2.578 -1.976 1.00 0.00 O ATOM 703 CB SER C 48 12.850 -3.323 -4.261 1.00 0.00 C ATOM 704 OG SER C 48 13.502 -3.891 -5.388 1.00 0.00 O ATOM 0 H SER C 48 12.633 -2.257 -1.823 1.00 0.00 H new ATOM 0 HA SER C 48 13.449 -4.879 -2.903 1.00 0.00 H new ATOM 0 HB2 SER C 48 11.794 -3.591 -4.281 1.00 0.00 H new ATOM 0 HB3 SER C 48 12.904 -2.236 -4.321 1.00 0.00 H new ATOM 0 HG SER C 48 12.861 -3.987 -6.123 1.00 0.00 H new ATOM 710 N TYR C 49 15.682 -3.828 -3.797 1.00 0.00 N ATOM 711 CA TYR C 49 17.081 -3.516 -3.886 1.00 0.00 C ATOM 712 C TYR C 49 17.346 -2.839 -5.226 1.00 0.00 C ATOM 713 O TYR C 49 18.484 -2.529 -5.581 1.00 0.00 O ATOM 714 CB TYR C 49 17.872 -4.812 -3.718 1.00 0.00 C ATOM 715 CG TYR C 49 17.790 -5.758 -4.916 1.00 0.00 C ATOM 716 CD1 TYR C 49 16.723 -6.646 -5.038 1.00 0.00 C ATOM 717 CD2 TYR C 49 18.765 -5.772 -5.924 1.00 0.00 C ATOM 718 CE1 TYR C 49 16.625 -7.509 -6.111 1.00 0.00 C ATOM 719 CE2 TYR C 49 18.666 -6.638 -6.998 1.00 0.00 C ATOM 720 CZ TYR C 49 17.596 -7.502 -7.084 1.00 0.00 C ATOM 721 OH TYR C 49 17.496 -8.362 -8.154 1.00 0.00 O ATOM 0 H TYR C 49 15.352 -4.459 -4.527 1.00 0.00 H new ATOM 0 HA TYR C 49 17.394 -2.827 -3.102 1.00 0.00 H new ATOM 0 HB2 TYR C 49 18.918 -4.565 -3.536 1.00 0.00 H new ATOM 0 HB3 TYR C 49 17.509 -5.334 -2.832 1.00 0.00 H new ATOM 0 HD1 TYR C 49 15.957 -6.659 -4.277 1.00 0.00 H new ATOM 0 HD2 TYR C 49 19.605 -5.097 -5.861 1.00 0.00 H new ATOM 0 HE1 TYR C 49 15.788 -8.188 -6.186 1.00 0.00 H new ATOM 0 HE2 TYR C 49 19.425 -6.637 -7.767 1.00 0.00 H new ATOM 0 HH TYR C 49 18.261 -8.231 -8.752 1.00 0.00 H new ATOM 731 N GLU C 50 16.258 -2.615 -5.961 1.00 0.00 N ATOM 732 CA GLU C 50 16.300 -1.921 -7.240 1.00 0.00 C ATOM 733 C GLU C 50 15.336 -0.750 -7.211 1.00 0.00 C ATOM 734 O GLU C 50 14.534 -0.617 -6.284 1.00 0.00 O ATOM 735 CB GLU C 50 15.875 -2.841 -8.382 1.00 0.00 C ATOM 736 CG GLU C 50 16.511 -4.213 -8.376 1.00 0.00 C ATOM 737 CD GLU C 50 15.987 -5.070 -9.505 1.00 0.00 C ATOM 738 OE1 GLU C 50 14.782 -5.396 -9.500 1.00 0.00 O ATOM 739 OE2 GLU C 50 16.775 -5.409 -10.412 1.00 0.00 O1- ATOM 0 H GLU C 50 15.323 -2.912 -5.683 1.00 0.00 H new ATOM 0 HA GLU C 50 17.325 -1.587 -7.403 1.00 0.00 H new ATOM 0 HB2 GLU C 50 14.792 -2.960 -8.347 1.00 0.00 H new ATOM 0 HB3 GLU C 50 16.112 -2.353 -9.327 1.00 0.00 H new ATOM 0 HG2 GLU C 50 17.593 -4.114 -8.464 1.00 0.00 H new ATOM 0 HG3 GLU C 50 16.312 -4.703 -7.423 1.00 0.00 H new ATOM 746 N ASP C 51 15.395 0.079 -8.235 1.00 0.00 N ATOM 747 CA ASP C 51 14.470 1.189 -8.363 1.00 0.00 C ATOM 748 C ASP C 51 13.243 0.760 -9.148 1.00 0.00 C ATOM 749 O ASP C 51 13.263 0.740 -10.379 1.00 0.00 O ATOM 750 CB ASP C 51 15.138 2.373 -9.063 1.00 0.00 C ATOM 751 CG ASP C 51 14.184 3.532 -9.229 1.00 0.00 C ATOM 752 OD1 ASP C 51 13.914 3.939 -10.382 1.00 0.00 O ATOM 753 OD2 ASP C 51 13.689 4.032 -8.207 1.00 0.00 O1- ATOM 0 H ASP C 51 16.075 0.005 -8.992 1.00 0.00 H new ATOM 0 HA ASP C 51 14.169 1.498 -7.362 1.00 0.00 H new ATOM 0 HB2 ASP C 51 16.005 2.695 -8.487 1.00 0.00 H new ATOM 0 HB3 ASP C 51 15.504 2.059 -10.041 1.00 0.00 H new ATOM 758 N LYS C 52 12.183 0.386 -8.445 1.00 0.00 N ATOM 759 CA LYS C 52 10.957 -0.007 -9.115 1.00 0.00 C ATOM 760 C LYS C 52 9.980 1.152 -9.119 1.00 0.00 C ATOM 761 O LYS C 52 10.081 2.067 -8.298 1.00 0.00 O ATOM 762 CB LYS C 52 10.308 -1.210 -8.440 1.00 0.00 C ATOM 763 CG LYS C 52 11.282 -2.175 -7.795 1.00 0.00 C ATOM 764 CD LYS C 52 12.274 -2.776 -8.782 1.00 0.00 C ATOM 765 CE LYS C 52 11.596 -3.628 -9.842 1.00 0.00 C ATOM 766 NZ LYS C 52 12.587 -4.307 -10.720 1.00 0.00 N1+ ATOM 0 H LYS C 52 12.149 0.347 -7.426 1.00 0.00 H new ATOM 0 HA LYS C 52 11.213 -0.286 -10.137 1.00 0.00 H new ATOM 0 HB2 LYS C 52 9.614 -0.852 -7.679 1.00 0.00 H new ATOM 0 HB3 LYS C 52 9.718 -1.751 -9.180 1.00 0.00 H new ATOM 0 HG2 LYS C 52 11.831 -1.656 -7.009 1.00 0.00 H new ATOM 0 HG3 LYS C 52 10.723 -2.979 -7.316 1.00 0.00 H new ATOM 0 HD2 LYS C 52 12.831 -1.974 -9.266 1.00 0.00 H new ATOM 0 HD3 LYS C 52 12.998 -3.384 -8.240 1.00 0.00 H new ATOM 0 HE2 LYS C 52 10.965 -4.375 -9.360 1.00 0.00 H new ATOM 0 HE3 LYS C 52 10.942 -3.002 -10.448 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 12.173 -5.182 -11.099 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 12.843 -3.677 -11.506 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 13.439 -4.537 -10.169 1.00 0.00 H new ATOM 780 N ASN C 53 9.037 1.097 -10.033 1.00 0.00 N ATOM 781 CA ASN C 53 8.065 2.169 -10.207 1.00 0.00 C ATOM 782 C ASN C 53 6.739 1.796 -9.560 1.00 0.00 C ATOM 783 O ASN C 53 6.029 0.907 -10.025 1.00 0.00 O ATOM 784 CB ASN C 53 7.882 2.495 -11.693 1.00 0.00 C ATOM 785 CG ASN C 53 7.845 1.253 -12.565 1.00 0.00 C ATOM 786 OD1 ASN C 53 8.874 0.807 -13.074 1.00 0.00 O ATOM 787 ND2 ASN C 53 6.671 0.680 -12.734 1.00 0.00 N ATOM 0 H ASN C 53 8.917 0.315 -10.677 1.00 0.00 H new ATOM 0 HA ASN C 53 8.442 3.064 -9.712 1.00 0.00 H new ATOM 0 HB2 ASN C 53 6.957 3.055 -11.827 1.00 0.00 H new ATOM 0 HB3 ASN C 53 8.696 3.141 -12.022 1.00 0.00 H new ATOM 0 HD21 ASN C 53 6.592 -0.163 -13.303 1.00 0.00 H new ATOM 0 HD22 ASN C 53 5.841 1.079 -12.296 1.00 0.00 H new ATOM 794 N TRP C 54 6.414 2.488 -8.483 1.00 0.00 N ATOM 795 CA TRP C 54 5.316 2.096 -7.624 1.00 0.00 C ATOM 796 C TRP C 54 4.163 3.090 -7.613 1.00 0.00 C ATOM 797 O TRP C 54 4.324 4.230 -8.042 1.00 0.00 O ATOM 798 CB TRP C 54 5.851 1.966 -6.220 1.00 0.00 C ATOM 799 CG TRP C 54 5.741 0.588 -5.731 1.00 0.00 C ATOM 800 CD1 TRP C 54 6.674 -0.389 -5.760 1.00 0.00 C ATOM 801 CD2 TRP C 54 4.584 0.041 -5.173 1.00 0.00 C ATOM 802 NE1 TRP C 54 6.148 -1.540 -5.223 1.00 0.00 N ATOM 803 CE2 TRP C 54 4.849 -1.292 -4.853 1.00 0.00 C ATOM 804 CE3 TRP C 54 3.346 0.579 -4.913 1.00 0.00 C ATOM 805 CZ2 TRP C 54 3.881 -2.107 -4.273 1.00 0.00 C ATOM 806 CZ3 TRP C 54 2.401 -0.202 -4.350 1.00 0.00 C ATOM 807 CH2 TRP C 54 2.660 -1.541 -4.031 1.00 0.00 C ATOM 0 H TRP C 54 6.901 3.332 -8.182 1.00 0.00 H new ATOM 0 HA TRP C 54 4.918 1.158 -8.011 1.00 0.00 H new ATOM 0 HB2 TRP C 54 6.895 2.280 -6.196 1.00 0.00 H new ATOM 0 HB3 TRP C 54 5.302 2.634 -5.556 1.00 0.00 H new ATOM 0 HD1 TRP C 54 7.677 -0.282 -6.145 1.00 0.00 H new ATOM 0 HE1 TRP C 54 6.639 -2.428 -5.117 1.00 0.00 H new ATOM 0 HE3 TRP C 54 3.133 1.610 -5.155 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 4.085 -3.138 -4.026 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 1.426 0.213 -4.141 1.00 0.00 H new ATOM 0 HH2 TRP C 54 1.879 -2.139 -3.585 1.00 0.00 H new ATOM 818 N GLY C 55 2.992 2.675 -7.101 1.00 0.00 N ATOM 819 CA GLY C 55 1.928 3.628 -6.920 1.00 0.00 C ATOM 820 C GLY C 55 0.693 3.109 -6.211 1.00 0.00 C ATOM 821 O GLY C 55 0.514 1.911 -6.014 1.00 0.00 O ATOM 0 H GLY C 55 2.779 1.718 -6.820 1.00 0.00 H new ATOM 0 HA2 GLY C 55 2.317 4.477 -6.358 1.00 0.00 H new ATOM 0 HA3 GLY C 55 1.631 4.004 -7.899 1.00 0.00 H new ATOM 825 N ILE C 56 -0.140 4.054 -5.795 1.00 0.00 N ATOM 826 CA ILE C 56 -1.421 3.758 -5.159 1.00 0.00 C ATOM 827 C ILE C 56 -2.584 4.266 -6.009 1.00 0.00 C ATOM 828 O ILE C 56 -2.562 5.403 -6.487 1.00 0.00 O ATOM 829 CB ILE C 56 -1.507 4.399 -3.751 1.00 0.00 C ATOM 830 CG1 ILE C 56 -0.686 3.602 -2.743 1.00 0.00 C ATOM 831 CG2 ILE C 56 -2.949 4.507 -3.274 1.00 0.00 C ATOM 832 CD1 ILE C 56 0.809 3.680 -2.946 1.00 0.00 C ATOM 0 H ILE C 56 0.053 5.051 -5.889 1.00 0.00 H new ATOM 0 HA ILE C 56 -1.490 2.674 -5.064 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.096 5.406 -3.827 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -0.922 3.958 -1.740 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -0.992 2.557 -2.791 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -2.971 4.961 -2.283 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -3.517 5.125 -3.969 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.392 3.512 -3.227 1.00 0.00 H new ATOM 0 HD11 ILE C 56 1.311 3.084 -2.184 1.00 0.00 H new ATOM 0 HD12 ILE C 56 1.063 3.295 -3.934 1.00 0.00 H new ATOM 0 HD13 ILE C 56 1.133 4.718 -2.867 1.00 0.00 H new ATOM 844 N PHE C 57 -3.597 3.425 -6.181 1.00 0.00 N ATOM 845 CA PHE C 57 -4.788 3.795 -6.934 1.00 0.00 C ATOM 846 C PHE C 57 -6.037 3.682 -6.064 1.00 0.00 C ATOM 847 O PHE C 57 -6.152 2.769 -5.251 1.00 0.00 O ATOM 848 CB PHE C 57 -4.957 2.888 -8.157 1.00 0.00 C ATOM 849 CG PHE C 57 -3.801 2.912 -9.112 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.795 3.784 -10.184 1.00 0.00 C ATOM 851 CD2 PHE C 57 -2.725 2.055 -8.941 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.738 3.804 -11.071 1.00 0.00 C ATOM 853 CE2 PHE C 57 -1.664 2.072 -9.825 1.00 0.00 C ATOM 854 CZ PHE C 57 -1.671 2.947 -10.890 1.00 0.00 C ATOM 0 H PHE C 57 -3.616 2.477 -5.806 1.00 0.00 H new ATOM 0 HA PHE C 57 -4.663 4.828 -7.258 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -5.109 1.864 -7.816 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -5.860 3.184 -8.691 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -4.627 4.457 -10.329 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -2.716 1.367 -8.108 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -2.746 4.489 -11.906 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -0.830 1.401 -9.682 1.00 0.00 H new ATOM 0 HZ PHE C 57 -0.842 2.962 -11.582 1.00 0.00 H new ATOM 864 N VAL C 58 -6.967 4.607 -6.232 1.00 0.00 N ATOM 865 CA VAL C 58 -8.274 4.494 -5.598 1.00 0.00 C ATOM 866 C VAL C 58 -9.364 4.820 -6.616 1.00 0.00 C ATOM 867 O VAL C 58 -9.334 5.870 -7.254 1.00 0.00 O ATOM 868 CB VAL C 58 -8.413 5.401 -4.347 1.00 0.00 C ATOM 869 CG1 VAL C 58 -8.358 6.876 -4.711 1.00 0.00 C ATOM 870 CG2 VAL C 58 -9.698 5.087 -3.598 1.00 0.00 C ATOM 0 H VAL C 58 -6.844 5.444 -6.801 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.384 3.466 -5.251 1.00 0.00 H new ATOM 0 HB VAL C 58 -7.565 5.190 -3.695 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -8.459 7.478 -3.808 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -7.404 7.097 -5.190 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -9.172 7.112 -5.397 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -9.777 5.734 -2.724 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -10.552 5.257 -4.254 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -9.688 4.045 -3.279 1.00 0.00 H new ATOM 880 N ASN C 59 -10.298 3.892 -6.797 1.00 0.00 N ATOM 881 CA ASN C 59 -11.348 4.031 -7.817 1.00 0.00 C ATOM 882 C ASN C 59 -10.739 4.189 -9.209 1.00 0.00 C ATOM 883 O ASN C 59 -11.337 4.801 -10.096 1.00 0.00 O ATOM 884 CB ASN C 59 -12.269 5.225 -7.523 1.00 0.00 C ATOM 885 CG ASN C 59 -13.097 5.043 -6.270 1.00 0.00 C ATOM 886 OD1 ASN C 59 -12.672 5.406 -5.174 1.00 0.00 O ATOM 887 ND2 ASN C 59 -14.292 4.495 -6.422 1.00 0.00 N ATOM 0 H ASN C 59 -10.355 3.031 -6.253 1.00 0.00 H new ATOM 0 HA ASN C 59 -11.944 3.119 -7.787 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.664 6.126 -7.424 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -12.935 5.380 -8.372 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -14.898 4.360 -5.613 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -14.607 4.208 -7.349 1.00 0.00 H new ATOM 894 N GLY C 60 -9.544 3.641 -9.391 1.00 0.00 N ATOM 895 CA GLY C 60 -8.884 3.699 -10.680 1.00 0.00 C ATOM 896 C GLY C 60 -8.229 5.041 -10.958 1.00 0.00 C ATOM 897 O GLY C 60 -8.231 5.509 -12.097 1.00 0.00 O ATOM 0 H GLY C 60 -9.018 3.155 -8.664 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -8.127 2.916 -10.729 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -9.612 3.488 -11.463 1.00 0.00 H new ATOM 901 N GLU C 61 -7.683 5.671 -9.924 1.00 0.00 N ATOM 902 CA GLU C 61 -6.926 6.908 -10.093 1.00 0.00 C ATOM 903 C GLU C 61 -5.719 6.900 -9.165 1.00 0.00 C ATOM 904 O GLU C 61 -5.744 6.254 -8.118 1.00 0.00 O ATOM 905 CB GLU C 61 -7.798 8.133 -9.797 1.00 0.00 C ATOM 906 CG GLU C 61 -7.997 8.400 -8.314 1.00 0.00 C ATOM 907 CD GLU C 61 -8.930 9.560 -8.051 1.00 0.00 C ATOM 908 OE1 GLU C 61 -10.150 9.327 -7.919 1.00 0.00 O ATOM 909 OE2 GLU C 61 -8.452 10.710 -7.985 1.00 0.00 O1- ATOM 0 H GLU C 61 -7.750 5.346 -8.959 1.00 0.00 H new ATOM 0 HA GLU C 61 -6.593 6.968 -11.129 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -7.344 9.011 -10.257 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.772 7.996 -10.266 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -8.395 7.504 -7.838 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -7.031 8.604 -7.853 1.00 0.00 H new ATOM 916 N LYS C 62 -4.674 7.614 -9.546 1.00 0.00 N ATOM 917 CA LYS C 62 -3.446 7.643 -8.765 1.00 0.00 C ATOM 918 C LYS C 62 -3.549 8.625 -7.607 1.00 0.00 C ATOM 919 O LYS C 62 -3.952 9.776 -7.782 1.00 0.00 O ATOM 920 CB LYS C 62 -2.262 8.017 -9.649 1.00 0.00 C ATOM 921 CG LYS C 62 -1.946 6.978 -10.709 1.00 0.00 C ATOM 922 CD LYS C 62 -0.725 7.356 -11.530 1.00 0.00 C ATOM 923 CE LYS C 62 -0.911 8.689 -12.235 1.00 0.00 C ATOM 924 NZ LYS C 62 -2.091 8.684 -13.145 1.00 0.00 N1+ ATOM 0 H LYS C 62 -4.650 8.183 -10.392 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.292 6.644 -8.357 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -2.469 8.970 -10.136 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -1.383 8.164 -9.022 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -1.777 6.013 -10.232 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -2.805 6.861 -11.370 1.00 0.00 H new ATOM 0 HD2 LYS C 62 0.149 7.407 -10.880 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -0.528 6.579 -12.268 1.00 0.00 H new ATOM 0 HE2 LYS C 62 -1.030 9.478 -11.492 1.00 0.00 H new ATOM 0 HE3 LYS C 62 -0.014 8.924 -12.808 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 -2.083 9.545 -13.728 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 -2.050 7.848 -13.762 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 -2.964 8.656 -12.581 1.00 0.00 H new ATOM 938 N VAL C 63 -3.182 8.154 -6.425 1.00 0.00 N ATOM 939 CA VAL C 63 -3.168 8.986 -5.234 1.00 0.00 C ATOM 940 C VAL C 63 -1.744 9.342 -4.847 1.00 0.00 C ATOM 941 O VAL C 63 -1.407 10.511 -4.651 1.00 0.00 O ATOM 942 CB VAL C 63 -3.828 8.277 -4.049 1.00 0.00 C ATOM 943 CG1 VAL C 63 -3.858 9.172 -2.819 1.00 0.00 C ATOM 944 CG2 VAL C 63 -5.222 7.815 -4.413 1.00 0.00 C ATOM 0 H VAL C 63 -2.887 7.191 -6.266 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.729 9.890 -5.470 1.00 0.00 H new ATOM 0 HB VAL C 63 -3.228 7.400 -3.806 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -4.333 8.641 -1.994 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -2.839 9.440 -2.539 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -4.424 10.077 -3.041 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -5.674 7.313 -3.557 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -5.830 8.676 -4.692 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -5.168 7.122 -5.253 1.00 0.00 H new ATOM 954 N TYR C 64 -0.912 8.323 -4.740 1.00 0.00 N ATOM 955 CA TYR C 64 0.456 8.496 -4.300 1.00 0.00 C ATOM 956 C TYR C 64 1.371 7.568 -5.093 1.00 0.00 C ATOM 957 O TYR C 64 0.956 6.484 -5.494 1.00 0.00 O ATOM 958 CB TYR C 64 0.537 8.206 -2.796 1.00 0.00 C ATOM 959 CG TYR C 64 1.909 8.383 -2.193 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.348 9.626 -1.756 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.759 7.300 -2.052 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.600 9.780 -1.196 1.00 0.00 C ATOM 963 CE2 TYR C 64 4.008 7.444 -1.496 1.00 0.00 C ATOM 964 CZ TYR C 64 4.428 8.685 -1.067 1.00 0.00 C ATOM 965 OH TYR C 64 5.682 8.832 -0.513 1.00 0.00 O ATOM 0 H TYR C 64 -1.165 7.358 -4.955 1.00 0.00 H new ATOM 0 HA TYR C 64 0.783 9.521 -4.475 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.161 8.861 -2.275 1.00 0.00 H new ATOM 0 HB3 TYR C 64 0.206 7.183 -2.619 1.00 0.00 H new ATOM 0 HD1 TYR C 64 1.700 10.484 -1.856 1.00 0.00 H new ATOM 0 HD2 TYR C 64 2.435 6.325 -2.385 1.00 0.00 H new ATOM 0 HE1 TYR C 64 3.929 10.752 -0.861 1.00 0.00 H new ATOM 0 HE2 TYR C 64 4.658 6.588 -1.396 1.00 0.00 H new ATOM 0 HH TYR C 64 5.613 9.340 0.322 1.00 0.00 H new ATOM 975 N THR C 65 2.600 7.998 -5.334 1.00 0.00 N ATOM 976 CA THR C 65 3.553 7.192 -6.080 1.00 0.00 C ATOM 977 C THR C 65 4.882 7.159 -5.322 1.00 0.00 C ATOM 978 O THR C 65 5.138 8.041 -4.496 1.00 0.00 O ATOM 979 CB THR C 65 3.764 7.772 -7.502 1.00 0.00 C ATOM 980 OG1 THR C 65 4.263 6.772 -8.401 1.00 0.00 O ATOM 981 CG2 THR C 65 4.735 8.944 -7.489 1.00 0.00 C ATOM 0 H THR C 65 2.960 8.900 -5.024 1.00 0.00 H new ATOM 0 HA THR C 65 3.163 6.179 -6.182 1.00 0.00 H new ATOM 0 HB THR C 65 2.789 8.118 -7.845 1.00 0.00 H new ATOM 0 HG1 THR C 65 4.382 5.928 -7.918 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.859 9.325 -8.503 1.00 0.00 H new ATOM 0 HG22 THR C 65 4.343 9.735 -6.849 1.00 0.00 H new ATOM 0 HG23 THR C 65 5.700 8.613 -7.106 1.00 0.00 H new ATOM 989 N PHE C 66 5.721 6.157 -5.575 1.00 0.00 N ATOM 990 CA PHE C 66 7.011 6.085 -4.894 1.00 0.00 C ATOM 991 C PHE C 66 7.945 5.059 -5.513 1.00 0.00 C ATOM 992 O PHE C 66 7.647 4.457 -6.545 1.00 0.00 O ATOM 993 CB PHE C 66 6.825 5.781 -3.403 1.00 0.00 C ATOM 994 CG PHE C 66 6.208 4.442 -3.088 1.00 0.00 C ATOM 995 CD1 PHE C 66 7.010 3.335 -2.854 1.00 0.00 C ATOM 996 CD2 PHE C 66 4.832 4.298 -2.982 1.00 0.00 C ATOM 997 CE1 PHE C 66 6.456 2.114 -2.523 1.00 0.00 C ATOM 998 CE2 PHE C 66 4.273 3.075 -2.657 1.00 0.00 C ATOM 999 CZ PHE C 66 5.087 1.984 -2.424 1.00 0.00 C ATOM 0 H PHE C 66 5.537 5.399 -6.232 1.00 0.00 H new ATOM 0 HA PHE C 66 7.474 7.065 -5.012 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.797 5.838 -2.914 1.00 0.00 H new ATOM 0 HB3 PHE C 66 6.202 6.561 -2.965 1.00 0.00 H new ATOM 0 HD1 PHE C 66 8.083 3.429 -2.932 1.00 0.00 H new ATOM 0 HD2 PHE C 66 4.191 5.150 -3.155 1.00 0.00 H new ATOM 0 HE1 PHE C 66 7.094 1.262 -2.342 1.00 0.00 H new ATOM 0 HE2 PHE C 66 3.200 2.973 -2.586 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.652 1.030 -2.165 1.00 0.00 H new ATOM 1009 N ASN C 67 9.084 4.883 -4.856 1.00 0.00 N ATOM 1010 CA ASN C 67 10.127 3.981 -5.306 1.00 0.00 C ATOM 1011 C ASN C 67 10.328 2.869 -4.276 1.00 0.00 C ATOM 1012 O ASN C 67 10.315 3.117 -3.075 1.00 0.00 O ATOM 1013 CB ASN C 67 11.419 4.774 -5.507 1.00 0.00 C ATOM 1014 CG ASN C 67 11.272 5.865 -6.551 1.00 0.00 C ATOM 1015 OD1 ASN C 67 10.861 6.984 -6.241 1.00 0.00 O ATOM 1016 ND2 ASN C 67 11.636 5.572 -7.783 1.00 0.00 N ATOM 0 H ASN C 67 9.308 5.369 -3.988 1.00 0.00 H new ATOM 0 HA ASN C 67 9.841 3.522 -6.253 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.719 5.220 -4.559 1.00 0.00 H new ATOM 0 HB3 ASN C 67 12.217 4.094 -5.806 1.00 0.00 H new ATOM 0 HD21 ASN C 67 11.582 6.282 -8.513 1.00 0.00 H new ATOM 0 HD22 ASN C 67 11.972 4.635 -8.006 1.00 0.00 H new ATOM 1023 N GLU C 68 10.539 1.654 -4.757 1.00 0.00 N ATOM 1024 CA GLU C 68 10.513 0.452 -3.915 1.00 0.00 C ATOM 1025 C GLU C 68 11.808 0.252 -3.116 1.00 0.00 C ATOM 1026 O GLU C 68 11.883 -0.634 -2.263 1.00 0.00 O ATOM 1027 CB GLU C 68 10.258 -0.754 -4.827 1.00 0.00 C ATOM 1028 CG GLU C 68 9.626 -1.940 -4.137 1.00 0.00 C ATOM 1029 CD GLU C 68 9.308 -3.103 -5.068 1.00 0.00 C ATOM 1030 OE1 GLU C 68 8.135 -3.266 -5.447 1.00 0.00 O ATOM 1031 OE2 GLU C 68 10.223 -3.877 -5.407 1.00 0.00 O1- ATOM 0 H GLU C 68 10.734 1.466 -5.740 1.00 0.00 H new ATOM 0 HA GLU C 68 9.720 0.564 -3.176 1.00 0.00 H new ATOM 0 HB2 GLU C 68 9.613 -0.442 -5.649 1.00 0.00 H new ATOM 0 HB3 GLU C 68 11.205 -1.068 -5.266 1.00 0.00 H new ATOM 0 HG2 GLU C 68 10.296 -2.290 -3.352 1.00 0.00 H new ATOM 0 HG3 GLU C 68 8.706 -1.616 -3.650 1.00 0.00 H new ATOM 1038 N LYS C 69 12.819 1.069 -3.370 1.00 0.00 N ATOM 1039 CA LYS C 69 14.106 0.909 -2.690 1.00 0.00 C ATOM 1040 C LYS C 69 14.295 1.961 -1.602 1.00 0.00 C ATOM 1041 O LYS C 69 15.364 2.059 -0.996 1.00 0.00 O ATOM 1042 CB LYS C 69 15.255 0.992 -3.695 1.00 0.00 C ATOM 1043 CG LYS C 69 15.332 2.326 -4.413 1.00 0.00 C ATOM 1044 CD LYS C 69 16.348 2.294 -5.547 1.00 0.00 C ATOM 1045 CE LYS C 69 17.767 2.099 -5.033 1.00 0.00 C ATOM 1046 NZ LYS C 69 18.770 2.157 -6.132 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.780 1.843 -4.033 1.00 0.00 H new ATOM 0 HA LYS C 69 14.110 -0.074 -2.219 1.00 0.00 H new ATOM 0 HB2 LYS C 69 16.196 0.813 -3.175 1.00 0.00 H new ATOM 0 HB3 LYS C 69 15.141 0.197 -4.432 1.00 0.00 H new ATOM 0 HG2 LYS C 69 14.350 2.583 -4.810 1.00 0.00 H new ATOM 0 HG3 LYS C 69 15.603 3.107 -3.703 1.00 0.00 H new ATOM 0 HD2 LYS C 69 16.098 1.487 -6.236 1.00 0.00 H new ATOM 0 HD3 LYS C 69 16.291 3.225 -6.112 1.00 0.00 H new ATOM 0 HE2 LYS C 69 17.994 2.867 -4.294 1.00 0.00 H new ATOM 0 HE3 LYS C 69 17.840 1.137 -4.526 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 19.723 2.020 -5.740 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 18.570 1.408 -6.825 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 18.719 3.084 -6.600 1.00 0.00 H new ATOM 1060 N SER C 70 13.256 2.738 -1.354 1.00 0.00 N ATOM 1061 CA SER C 70 13.322 3.812 -0.375 1.00 0.00 C ATOM 1062 C SER C 70 13.111 3.262 1.039 1.00 0.00 C ATOM 1063 O SER C 70 13.216 2.054 1.268 1.00 0.00 O ATOM 1064 CB SER C 70 12.252 4.849 -0.700 1.00 0.00 C ATOM 1065 OG SER C 70 10.984 4.230 -0.802 1.00 0.00 O ATOM 0 H SER C 70 12.352 2.646 -1.818 1.00 0.00 H new ATOM 0 HA SER C 70 14.307 4.277 -0.416 1.00 0.00 H new ATOM 0 HB2 SER C 70 12.230 5.614 0.076 1.00 0.00 H new ATOM 0 HB3 SER C 70 12.495 5.352 -1.636 1.00 0.00 H new ATOM 0 HG SER C 70 10.784 4.046 -1.744 1.00 0.00 H new ATOM 1071 N THR C 71 12.812 4.138 1.988 1.00 0.00 N ATOM 1072 CA THR C 71 12.461 3.708 3.313 1.00 0.00 C ATOM 1073 C THR C 71 10.950 3.598 3.381 1.00 0.00 C ATOM 1074 O THR C 71 10.239 4.604 3.395 1.00 0.00 O ATOM 1075 CB THR C 71 12.983 4.683 4.390 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.651 6.033 4.038 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.489 4.559 4.554 1.00 0.00 C ATOM 0 H THR C 71 12.809 5.149 1.854 1.00 0.00 H new ATOM 0 HA THR C 71 12.926 2.743 3.515 1.00 0.00 H new ATOM 0 HB THR C 71 12.506 4.425 5.336 1.00 0.00 H new ATOM 0 HG1 THR C 71 12.985 6.643 4.729 1.00 0.00 H new ATOM 0 HG21 THR C 71 14.830 5.257 5.319 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.740 3.541 4.853 1.00 0.00 H new ATOM 0 HG23 THR C 71 14.978 4.790 3.608 1.00 0.00 H new ATOM 1085 N VAL C 72 10.468 2.367 3.402 1.00 0.00 N ATOM 1086 CA VAL C 72 9.048 2.084 3.249 1.00 0.00 C ATOM 1087 C VAL C 72 8.226 2.757 4.346 1.00 0.00 C ATOM 1088 O VAL C 72 7.024 2.923 4.210 1.00 0.00 O ATOM 1089 CB VAL C 72 8.779 0.554 3.243 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.465 0.218 2.565 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.907 -0.189 2.553 1.00 0.00 C ATOM 0 H VAL C 72 11.047 1.536 3.525 1.00 0.00 H new ATOM 0 HA VAL C 72 8.739 2.494 2.288 1.00 0.00 H new ATOM 0 HB VAL C 72 8.721 0.237 4.284 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.313 -0.861 2.581 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.647 0.708 3.094 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.489 0.566 1.532 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.697 -1.258 2.561 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.993 0.156 1.523 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.843 0.001 3.079 1.00 0.00 H new ATOM 1101 N GLY C 73 8.887 3.192 5.406 1.00 0.00 N ATOM 1102 CA GLY C 73 8.174 3.809 6.511 1.00 0.00 C ATOM 1103 C GLY C 73 7.918 5.272 6.272 1.00 0.00 C ATOM 1104 O GLY C 73 6.868 5.793 6.654 1.00 0.00 O ATOM 0 H GLY C 73 9.898 3.131 5.524 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.225 3.295 6.662 1.00 0.00 H new ATOM 0 HA3 GLY C 73 8.751 3.687 7.428 1.00 0.00 H new ATOM 1108 N ASN C 74 8.860 5.944 5.628 1.00 0.00 N ATOM 1109 CA ASN C 74 8.648 7.328 5.241 1.00 0.00 C ATOM 1110 C ASN C 74 7.599 7.354 4.145 1.00 0.00 C ATOM 1111 O ASN C 74 6.734 8.228 4.102 1.00 0.00 O ATOM 1112 CB ASN C 74 9.950 7.971 4.747 1.00 0.00 C ATOM 1113 CG ASN C 74 10.937 8.275 5.867 1.00 0.00 C ATOM 1114 OD1 ASN C 74 11.752 9.191 5.757 1.00 0.00 O ATOM 1115 ND2 ASN C 74 10.874 7.519 6.952 1.00 0.00 N ATOM 0 H ASN C 74 9.767 5.559 5.366 1.00 0.00 H new ATOM 0 HA ASN C 74 8.311 7.901 6.105 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.424 7.306 4.025 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.713 8.896 4.220 1.00 0.00 H new ATOM 0 HD21 ASN C 74 11.513 7.688 7.729 1.00 0.00 H new ATOM 0 HD22 ASN C 74 10.186 6.768 7.011 1.00 0.00 H new ATOM 1122 N ILE C 75 7.664 6.331 3.308 1.00 0.00 N ATOM 1123 CA ILE C 75 6.780 6.186 2.168 1.00 0.00 C ATOM 1124 C ILE C 75 5.352 5.848 2.580 1.00 0.00 C ATOM 1125 O ILE C 75 4.425 6.617 2.328 1.00 0.00 O ATOM 1126 CB ILE C 75 7.294 5.071 1.245 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.679 5.422 0.702 1.00 0.00 C ATOM 1128 CG2 ILE C 75 6.321 4.824 0.115 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.722 6.710 -0.091 1.00 0.00 C ATOM 0 H ILE C 75 8.339 5.572 3.404 1.00 0.00 H new ATOM 0 HA ILE C 75 6.772 7.146 1.652 1.00 0.00 H new ATOM 0 HB ILE C 75 7.378 4.153 1.827 1.00 0.00 H new ATOM 0 HG12 ILE C 75 9.376 5.498 1.536 1.00 0.00 H new ATOM 0 HG13 ILE C 75 9.027 4.606 0.069 1.00 0.00 H new ATOM 0 HG21 ILE C 75 6.703 4.031 -0.527 1.00 0.00 H new ATOM 0 HG22 ILE C 75 5.356 4.526 0.525 1.00 0.00 H new ATOM 0 HG23 ILE C 75 6.201 5.737 -0.468 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.739 6.888 -0.441 1.00 0.00 H new ATOM 0 HD12 ILE C 75 8.052 6.633 -0.947 1.00 0.00 H new ATOM 0 HD13 ILE C 75 8.407 7.538 0.543 1.00 0.00 H new ATOM 1141 N SER C 76 5.184 4.690 3.211 1.00 0.00 N ATOM 1142 CA SER C 76 3.860 4.149 3.475 1.00 0.00 C ATOM 1143 C SER C 76 3.016 5.095 4.289 1.00 0.00 C ATOM 1144 O SER C 76 1.865 5.349 3.959 1.00 0.00 O ATOM 1145 CB SER C 76 3.955 2.801 4.181 1.00 0.00 C ATOM 1146 OG SER C 76 4.786 1.913 3.459 1.00 0.00 O ATOM 0 H SER C 76 5.951 4.109 3.549 1.00 0.00 H new ATOM 0 HA SER C 76 3.375 4.013 2.508 1.00 0.00 H new ATOM 0 HB2 SER C 76 4.351 2.940 5.187 1.00 0.00 H new ATOM 0 HB3 SER C 76 2.959 2.370 4.287 1.00 0.00 H new ATOM 0 HG SER C 76 5.679 2.305 3.364 1.00 0.00 H new ATOM 1152 N ASN C 77 3.584 5.633 5.341 1.00 0.00 N ATOM 1153 CA ASN C 77 2.813 6.513 6.202 1.00 0.00 C ATOM 1154 C ASN C 77 2.542 7.873 5.572 1.00 0.00 C ATOM 1155 O ASN C 77 1.686 8.601 6.060 1.00 0.00 O ATOM 1156 CB ASN C 77 3.386 6.631 7.612 1.00 0.00 C ATOM 1157 CG ASN C 77 2.903 5.481 8.483 1.00 0.00 C ATOM 1158 OD1 ASN C 77 3.649 4.540 8.760 1.00 0.00 O ATOM 1159 ND2 ASN C 77 1.624 5.525 8.875 1.00 0.00 N ATOM 0 H ASN C 77 4.553 5.486 5.622 1.00 0.00 H new ATOM 0 HA ASN C 77 1.843 6.028 6.312 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.475 6.630 7.569 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.086 7.581 8.054 1.00 0.00 H new ATOM 0 HD21 ASN C 77 1.233 4.760 9.425 1.00 0.00 H new ATOM 0 HD22 ASN C 77 1.041 6.323 8.624 1.00 0.00 H new ATOM 1166 N ASP C 78 3.249 8.232 4.497 1.00 0.00 N ATOM 1167 CA ASP C 78 2.801 9.364 3.678 1.00 0.00 C ATOM 1168 C ASP C 78 1.387 9.088 3.221 1.00 0.00 C ATOM 1169 O ASP C 78 0.488 9.897 3.416 1.00 0.00 O ATOM 1170 CB ASP C 78 3.659 9.584 2.436 1.00 0.00 C ATOM 1171 CG ASP C 78 4.931 10.361 2.702 1.00 0.00 C ATOM 1172 OD1 ASP C 78 4.974 11.133 3.687 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.882 10.238 1.898 1.00 0.00 O1- ATOM 0 H ASP C 78 4.104 7.775 4.180 1.00 0.00 H new ATOM 0 HA ASP C 78 2.876 10.259 4.295 1.00 0.00 H new ATOM 0 HB2 ASP C 78 3.919 8.615 2.009 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.070 10.115 1.688 1.00 0.00 H new ATOM 1178 N ILE C 79 1.219 7.903 2.642 1.00 0.00 N ATOM 1179 CA ILE C 79 -0.075 7.403 2.195 1.00 0.00 C ATOM 1180 C ILE C 79 -1.086 7.436 3.329 1.00 0.00 C ATOM 1181 O ILE C 79 -2.277 7.672 3.123 1.00 0.00 O ATOM 1182 CB ILE C 79 0.056 5.939 1.725 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.106 5.807 0.625 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -1.284 5.391 1.257 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.478 4.371 0.329 1.00 0.00 C ATOM 0 H ILE C 79 1.988 7.256 2.468 1.00 0.00 H new ATOM 0 HA ILE C 79 -0.411 8.041 1.377 1.00 0.00 H new ATOM 0 HB ILE C 79 0.384 5.346 2.579 1.00 0.00 H new ATOM 0 HG12 ILE C 79 0.730 6.274 -0.286 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.001 6.355 0.918 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -1.161 4.358 0.932 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -2.000 5.430 2.078 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.652 5.992 0.425 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.228 4.345 -0.461 1.00 0.00 H new ATOM 0 HD12 ILE C 79 1.883 3.907 1.229 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.592 3.825 0.006 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.597 7.214 4.531 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.473 6.993 5.656 1.00 0.00 C ATOM 1199 C ASN C 80 -1.870 8.289 6.321 1.00 0.00 C ATOM 1200 O ASN C 80 -3.007 8.436 6.743 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.825 6.059 6.676 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.311 4.779 6.054 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.856 4.279 5.077 1.00 0.00 O ATOM 1204 ND2 ASN C 80 0.742 4.228 6.631 1.00 0.00 N ATOM 0 H ASN C 80 0.398 7.182 4.751 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.377 6.522 5.269 1.00 0.00 H new ATOM 0 HB2 ASN C 80 0.000 6.578 7.164 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.551 5.815 7.451 1.00 0.00 H new ATOM 0 HD21 ASN C 80 1.127 3.358 6.264 1.00 0.00 H new ATOM 0 HD22 ASN C 80 1.170 4.673 7.443 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.943 9.234 6.404 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.251 10.547 6.956 1.00 0.00 C ATOM 1213 C LYS C 81 -2.405 11.170 6.188 1.00 0.00 C ATOM 1214 O LYS C 81 -3.191 11.938 6.732 1.00 0.00 O ATOM 1215 CB LYS C 81 -0.022 11.457 6.901 1.00 0.00 C ATOM 1216 CG LYS C 81 1.089 11.033 7.850 1.00 0.00 C ATOM 1217 CD LYS C 81 2.362 11.843 7.636 1.00 0.00 C ATOM 1218 CE LYS C 81 2.972 11.558 6.274 1.00 0.00 C ATOM 1219 NZ LYS C 81 4.293 12.211 6.092 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.023 9.117 6.098 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.541 10.429 8.000 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.366 11.470 5.882 1.00 0.00 H new ATOM 0 HB3 LYS C 81 -0.324 12.477 7.140 1.00 0.00 H new ATOM 0 HG2 LYS C 81 0.752 11.153 8.880 1.00 0.00 H new ATOM 0 HG3 LYS C 81 1.304 9.974 7.706 1.00 0.00 H new ATOM 0 HD2 LYS C 81 2.138 12.906 7.722 1.00 0.00 H new ATOM 0 HD3 LYS C 81 3.083 11.605 8.418 1.00 0.00 H new ATOM 0 HE2 LYS C 81 3.083 10.481 6.148 1.00 0.00 H new ATOM 0 HE3 LYS C 81 2.291 11.902 5.496 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 4.833 11.704 5.362 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 4.154 13.199 5.797 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 4.818 12.188 6.989 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.518 10.794 4.923 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.592 11.266 4.062 1.00 0.00 C ATOM 1235 C LEU C 82 -4.954 10.889 4.639 1.00 0.00 C ATOM 1236 O LEU C 82 -5.930 11.610 4.437 1.00 0.00 O ATOM 1237 CB LEU C 82 -3.456 10.641 2.669 1.00 0.00 C ATOM 1238 CG LEU C 82 -2.034 10.587 2.102 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -2.051 10.023 0.689 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -1.398 11.972 2.114 1.00 0.00 C ATOM 0 H LEU C 82 -1.869 10.154 4.465 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.519 12.351 3.994 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.852 9.626 2.706 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -4.083 11.202 1.976 1.00 0.00 H new ATOM 0 HG LEU C 82 -1.436 9.930 2.733 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -1.034 9.990 0.298 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -2.467 9.015 0.704 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -2.665 10.659 0.051 1.00 0.00 H new ATOM 0 HD21 LEU C 82 -0.388 11.912 1.707 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.995 12.652 1.506 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -1.355 12.344 3.138 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.989 9.790 5.399 1.00 0.00 N ATOM 1253 CA ASN C 83 -6.248 9.183 5.858 1.00 0.00 C ATOM 1254 C ASN C 83 -7.296 9.226 4.748 1.00 0.00 C ATOM 1255 O ASN C 83 -8.220 10.045 4.759 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.750 9.847 7.142 1.00 0.00 C ATOM 1257 CG ASN C 83 -5.850 9.568 8.345 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -5.798 10.360 9.285 1.00 0.00 O ATOM 1259 ND2 ASN C 83 -5.121 8.449 8.324 1.00 0.00 N ATOM 0 H ASN C 83 -4.153 9.297 5.713 1.00 0.00 H new ATOM 0 HA ASN C 83 -6.058 8.137 6.097 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -6.817 10.924 6.986 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.758 9.493 7.358 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -4.499 8.231 9.102 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -5.187 7.812 7.530 1.00 0.00 H new ATOM 1266 N ILE C 84 -7.118 8.332 3.785 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.903 8.327 2.561 1.00 0.00 C ATOM 1268 C ILE C 84 -9.311 7.822 2.779 1.00 0.00 C ATOM 1269 O ILE C 84 -9.522 6.750 3.338 1.00 0.00 O ATOM 1270 CB ILE C 84 -7.243 7.440 1.501 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.775 7.809 1.383 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.943 7.586 0.154 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -5.037 7.006 0.334 1.00 0.00 C ATOM 0 H ILE C 84 -6.422 7.588 3.832 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.948 9.363 2.226 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.330 6.397 1.806 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -5.692 8.869 1.143 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.292 7.662 2.349 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.455 6.946 -0.581 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -8.988 7.293 0.253 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.887 8.624 -0.175 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -3.994 7.320 0.302 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.089 5.946 0.584 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.496 7.172 -0.641 1.00 0.00 H new ATOM 1285 N LYS C 85 -10.259 8.579 2.267 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.671 8.234 2.350 1.00 0.00 C ATOM 1287 C LYS C 85 -12.049 7.271 1.223 1.00 0.00 C ATOM 1288 O LYS C 85 -13.190 7.246 0.755 1.00 0.00 O ATOM 1289 CB LYS C 85 -12.495 9.517 2.267 1.00 0.00 C ATOM 1290 CG LYS C 85 -12.259 10.290 0.970 1.00 0.00 C ATOM 1291 CD LYS C 85 -12.220 11.790 1.204 1.00 0.00 C ATOM 1292 CE LYS C 85 -11.022 12.193 2.056 1.00 0.00 C ATOM 1293 NZ LYS C 85 -10.813 13.664 2.053 1.00 0.00 N1+ ATOM 0 H LYS C 85 -10.076 9.455 1.779 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.875 7.734 3.297 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -13.553 9.270 2.350 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -12.250 10.156 3.115 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -11.319 9.968 0.521 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -13.050 10.054 0.258 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -12.176 12.307 0.246 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -13.140 12.106 1.696 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -11.172 11.849 3.079 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -10.126 11.698 1.681 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -9.990 13.899 2.643 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -10.645 13.989 1.079 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -11.658 14.135 2.434 1.00 0.00 H new ATOM 1307 N GLY C 86 -11.072 6.476 0.808 1.00 0.00 N ATOM 1308 CA GLY C 86 -11.244 5.584 -0.315 1.00 0.00 C ATOM 1309 C GLY C 86 -12.064 4.361 0.038 1.00 0.00 C ATOM 1310 O GLY C 86 -11.938 3.832 1.139 1.00 0.00 O ATOM 0 H GLY C 86 -10.149 6.436 1.240 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -11.730 6.120 -1.130 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -10.266 5.269 -0.678 1.00 0.00 H new ATOM 1314 N PRO C 87 -12.918 3.887 -0.879 1.00 0.00 N ATOM 1315 CA PRO C 87 -13.709 2.669 -0.672 1.00 0.00 C ATOM 1316 C PRO C 87 -12.884 1.417 -0.948 1.00 0.00 C ATOM 1317 O PRO C 87 -12.980 0.421 -0.238 1.00 0.00 O ATOM 1318 CB PRO C 87 -14.813 2.817 -1.715 1.00 0.00 C ATOM 1319 CG PRO C 87 -14.132 3.517 -2.835 1.00 0.00 C ATOM 1320 CD PRO C 87 -13.212 4.514 -2.183 1.00 0.00 C ATOM 0 HA PRO C 87 -14.072 2.561 0.350 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -15.206 1.849 -2.025 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -15.654 3.394 -1.332 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -13.575 2.815 -3.456 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -14.853 4.014 -3.484 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -12.306 4.672 -2.769 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -13.689 5.487 -2.065 1.00 0.00 H new ATOM 1328 N TYR C 88 -12.066 1.484 -1.987 1.00 0.00 N ATOM 1329 CA TYR C 88 -11.143 0.418 -2.303 1.00 0.00 C ATOM 1330 C TYR C 88 -9.854 1.002 -2.854 1.00 0.00 C ATOM 1331 O TYR C 88 -9.863 1.769 -3.823 1.00 0.00 O ATOM 1332 CB TYR C 88 -11.755 -0.603 -3.272 1.00 0.00 C ATOM 1333 CG TYR C 88 -12.352 -0.011 -4.537 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -13.674 0.414 -4.574 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -11.592 0.110 -5.695 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -14.220 0.947 -5.728 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -12.129 0.642 -6.849 1.00 0.00 C ATOM 1338 CZ TYR C 88 -13.442 1.059 -6.862 1.00 0.00 C ATOM 1339 OH TYR C 88 -13.979 1.592 -8.013 1.00 0.00 O ATOM 0 H TYR C 88 -12.027 2.276 -2.628 1.00 0.00 H new ATOM 0 HA TYR C 88 -10.919 -0.124 -1.384 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -10.985 -1.321 -3.554 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -12.532 -1.159 -2.747 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -14.285 0.327 -3.688 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -10.563 -0.218 -5.691 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -15.249 1.274 -5.741 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -11.523 0.731 -7.738 1.00 0.00 H new ATOM 0 HH TYR C 88 -13.298 1.601 -8.718 1.00 0.00 H new ATOM 1349 N ILE C 89 -8.755 0.661 -2.206 1.00 0.00 N ATOM 1350 CA ILE C 89 -7.464 1.214 -2.552 1.00 0.00 C ATOM 1351 C ILE C 89 -6.517 0.121 -3.015 1.00 0.00 C ATOM 1352 O ILE C 89 -6.348 -0.900 -2.349 1.00 0.00 O ATOM 1353 CB ILE C 89 -6.855 1.976 -1.356 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -7.777 3.133 -0.969 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -5.459 2.486 -1.689 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -7.298 3.927 0.224 1.00 0.00 C ATOM 0 H ILE C 89 -8.734 -0.002 -1.431 1.00 0.00 H new ATOM 0 HA ILE C 89 -7.609 1.917 -3.372 1.00 0.00 H new ATOM 0 HB ILE C 89 -6.763 1.294 -0.511 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -7.879 3.804 -1.822 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -8.770 2.737 -0.754 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -5.052 3.019 -0.830 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -4.812 1.643 -1.933 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -5.512 3.161 -2.543 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -8.005 4.729 0.435 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -7.223 3.271 1.091 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -6.319 4.355 0.007 1.00 0.00 H new ATOM 1368 N GLU C 90 -5.917 0.344 -4.166 1.00 0.00 N ATOM 1369 CA GLU C 90 -5.000 -0.606 -4.753 1.00 0.00 C ATOM 1370 C GLU C 90 -3.574 -0.112 -4.617 1.00 0.00 C ATOM 1371 O GLU C 90 -3.184 0.871 -5.245 1.00 0.00 O ATOM 1372 CB GLU C 90 -5.317 -0.809 -6.227 1.00 0.00 C ATOM 1373 CG GLU C 90 -6.726 -1.313 -6.486 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.021 -1.457 -7.963 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -7.523 -0.488 -8.570 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -6.740 -2.535 -8.530 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.053 1.190 -4.720 1.00 0.00 H new ATOM 0 HA GLU C 90 -5.109 -1.554 -4.226 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.176 0.135 -6.753 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -4.604 -1.518 -6.648 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -6.861 -2.277 -5.995 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -7.444 -0.625 -6.040 1.00 0.00 H new ATOM 1383 N ILE C 91 -2.810 -0.780 -3.784 1.00 0.00 N ATOM 1384 CA ILE C 91 -1.407 -0.466 -3.632 1.00 0.00 C ATOM 1385 C ILE C 91 -0.589 -1.468 -4.449 1.00 0.00 C ATOM 1386 O ILE C 91 -0.435 -2.625 -4.055 1.00 0.00 O ATOM 1387 CB ILE C 91 -1.002 -0.483 -2.133 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -1.944 0.423 -1.326 1.00 0.00 C ATOM 1389 CG2 ILE C 91 0.438 -0.041 -1.940 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -1.413 0.799 0.044 1.00 0.00 C ATOM 0 H ILE C 91 -3.138 -1.548 -3.198 1.00 0.00 H new ATOM 0 HA ILE C 91 -1.208 0.539 -4.003 1.00 0.00 H new ATOM 0 HB ILE C 91 -1.087 -1.508 -1.773 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -2.131 1.334 -1.895 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -2.903 -0.081 -1.207 1.00 0.00 H new ATOM 0 HG21 ILE C 91 0.687 -0.065 -0.879 1.00 0.00 H new ATOM 0 HG22 ILE C 91 1.101 -0.714 -2.484 1.00 0.00 H new ATOM 0 HG23 ILE C 91 0.561 0.974 -2.319 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -2.135 1.439 0.551 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -1.253 -0.104 0.633 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -0.469 1.333 -0.066 1.00 0.00 H new ATOM 1402 N LYS C 92 -0.091 -1.022 -5.608 1.00 0.00 N ATOM 1403 CA LYS C 92 0.577 -1.912 -6.558 1.00 0.00 C ATOM 1404 C LYS C 92 1.471 -1.106 -7.500 1.00 0.00 C ATOM 1405 O LYS C 92 1.229 0.075 -7.736 1.00 0.00 O ATOM 1406 CB LYS C 92 -0.478 -2.682 -7.363 1.00 0.00 C ATOM 1407 CG LYS C 92 -1.410 -1.778 -8.167 1.00 0.00 C ATOM 1408 CD LYS C 92 -0.953 -1.612 -9.612 1.00 0.00 C ATOM 1409 CE LYS C 92 -1.043 -2.914 -10.399 1.00 0.00 C ATOM 1410 NZ LYS C 92 -2.447 -3.382 -10.547 1.00 0.00 N1+ ATOM 0 H LYS C 92 -0.139 -0.049 -5.909 1.00 0.00 H new ATOM 0 HA LYS C 92 1.200 -2.618 -6.010 1.00 0.00 H new ATOM 0 HB2 LYS C 92 0.025 -3.369 -8.044 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -1.073 -3.289 -6.680 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -2.417 -2.194 -8.153 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -1.463 -0.799 -7.691 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -1.564 -0.852 -10.099 1.00 0.00 H new ATOM 0 HD3 LYS C 92 0.075 -1.251 -9.627 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -0.603 -2.772 -11.386 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -0.456 -3.683 -9.896 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -2.483 -4.158 -11.238 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -2.799 -3.719 -9.628 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -3.042 -2.596 -10.878 1.00 0.00 H new ATOM 1424 N GLN C 93 2.498 -1.740 -8.042 1.00 0.00 N ATOM 1425 CA GLN C 93 3.395 -1.049 -8.956 1.00 0.00 C ATOM 1426 C GLN C 93 2.869 -1.068 -10.380 1.00 0.00 C ATOM 1427 O GLN C 93 2.023 -1.886 -10.741 1.00 0.00 O ATOM 1428 CB GLN C 93 4.813 -1.613 -8.910 1.00 0.00 C ATOM 1429 CG GLN C 93 4.916 -3.026 -8.366 1.00 0.00 C ATOM 1430 CD GLN C 93 6.338 -3.549 -8.382 1.00 0.00 C ATOM 1431 OE1 GLN C 93 6.570 -4.754 -8.490 1.00 0.00 O ATOM 1432 NE2 GLN C 93 7.304 -2.649 -8.285 1.00 0.00 N ATOM 0 H GLN C 93 2.730 -2.718 -7.869 1.00 0.00 H new ATOM 0 HA GLN C 93 3.436 -0.014 -8.618 1.00 0.00 H new ATOM 0 HB2 GLN C 93 5.230 -1.595 -9.917 1.00 0.00 H new ATOM 0 HB3 GLN C 93 5.431 -0.956 -8.297 1.00 0.00 H new ATOM 0 HG2 GLN C 93 4.535 -3.048 -7.345 1.00 0.00 H new ATOM 0 HG3 GLN C 93 4.282 -3.687 -8.957 1.00 0.00 H new ATOM 0 HE21 GLN C 93 7.072 -1.660 -8.197 1.00 0.00 H new ATOM 0 HE22 GLN C 93 8.280 -2.945 -8.298 1.00 0.00 H new ATOM 1441 N ILE C 94 3.412 -0.176 -11.183 1.00 0.00 N ATOM 1442 CA ILE C 94 2.894 0.097 -12.512 1.00 0.00 C ATOM 1443 C ILE C 94 3.795 -0.482 -13.597 1.00 0.00 C ATOM 1444 O ILE C 94 4.448 0.293 -14.322 1.00 0.00 O ATOM 1445 CB ILE C 94 2.733 1.620 -12.704 1.00 0.00 C ATOM 1446 CG1 ILE C 94 3.918 2.357 -12.061 1.00 0.00 C ATOM 1447 CG2 ILE C 94 1.417 2.082 -12.105 1.00 0.00 C ATOM 1448 CD1 ILE C 94 3.731 3.849 -11.923 1.00 0.00 C ATOM 1449 OXT ILE C 94 3.860 -1.723 -13.707 1.00 0.00 O ATOM 0 H ILE C 94 4.228 0.383 -10.933 1.00 0.00 H new ATOM 0 HA ILE C 94 1.921 -0.386 -12.603 1.00 0.00 H new ATOM 0 HB ILE C 94 2.723 1.850 -13.769 1.00 0.00 H new ATOM 0 HG12 ILE C 94 4.099 1.934 -11.073 1.00 0.00 H new ATOM 0 HG13 ILE C 94 4.812 2.170 -12.656 1.00 0.00 H new ATOM 0 HG21 ILE C 94 1.311 3.158 -12.245 1.00 0.00 H new ATOM 0 HG22 ILE C 94 0.592 1.569 -12.600 1.00 0.00 H new ATOM 0 HG23 ILE C 94 1.401 1.851 -11.040 1.00 0.00 H new ATOM 0 HD11 ILE C 94 4.616 4.285 -11.460 1.00 0.00 H new ATOM 0 HD12 ILE C 94 3.583 4.290 -12.909 1.00 0.00 H new ATOM 0 HD13 ILE C 94 2.859 4.050 -11.301 1.00 0.00 H new TER 1461 ILE C 94