USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=33 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 77 ASN :FLIP amide:sc= -0.411 F(o=-17!,f=-9.5) USER MOD Set 1.2: C 80 ASN : amide:sc= -9.11! C(o=-9.5!,f=-14!) USER MOD Set 2.1: C 71 THR OG1 : rot 37:sc= 0.0652 USER MOD Set 2.2: C 74 ASN : amide:sc= 0.00552 X(o=0.071,f=-0.18) USER MOD Set 3.1: C 30 SER OG : rot -93:sc= 1.2 USER MOD Set 3.2: C 32 ASN : amide:sc= -0.931! C(o=0.27!,f=-2.8!) USER MOD Set 4.1: C 1 ASP N :NH3+ -169:sc= 0 (180deg=-0.0617) USER MOD Set 4.2: C 2 ASN : amide:sc= -0.0306 X(o=-0.031,f=-0.031) USER MOD Single : C 3 GLN : amide:sc= 1.04 K(o=1,f=-1.1) USER MOD Single : C 4 LYS NZ :NH3+ -168:sc= -0.0302 (180deg=-0.234) USER MOD Single : C 9 GLN :FLIP amide:sc= -0.055 F(o=-4.4!,f=-0.055) USER MOD Single : C 10 MET CE :methyl 158:sc= -1.78! (180deg=-3.1!) USER MOD Single : C 11 ASN : amide:sc= -0.0483 K(o=-0.048,f=-2.7!) USER MOD Single : C 12 SER OG : rot -170:sc= -0.16 USER MOD Single : C 14 ASN : amide:sc= -0.029 K(o=-0.029,f=-2.3!) USER MOD Single : C 15 SER OG : rot 180:sc= 0 USER MOD Single : C 17 ASN : amide:sc= -4.09! C(o=-4.1!,f=-4.8!) USER MOD Single : C 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 21 ASN : amide:sc= -0.435! C(o=-0.43!,f=-2.6!) USER MOD Single : C 22 LYS NZ :NH3+ 166:sc= -0.126 (180deg=-2.27!) USER MOD Single : C 24 LYS NZ :NH3+ -163:sc= -0.0589 (180deg=-0.311) USER MOD Single : C 26 LYS NZ :NH3+ 152:sc= 0.58 (180deg=0.211) USER MOD Single : C 28 SER OG : rot 180:sc= 0 USER MOD Single : C 31 MET CE :methyl 173:sc= -3.19 (180deg=-3.33) USER MOD Single : C 34 ASN :FLIP amide:sc= -1.13 F(o=-2.3!,f=-1.1) USER MOD Single : C 35 GLN : amide:sc= -0.971 X(o=-0.97,f=-1.2) USER MOD Single : C 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 39 THR OG1 : rot 180:sc= 0 USER MOD Single : C 40 SER OG : rot 37:sc= -0.863 USER MOD Single : C 41 SER OG : rot 180:sc= 0.00904 USER MOD Single : C 42 ASN : amide:sc= -3.36! C(o=-3.4!,f=-3.1!) USER MOD Single : C 45 TYR OH : rot 180:sc= 0 USER MOD Single : C 48 SER OG : rot 180:sc=-0.00572 USER MOD Single : C 49 TYR OH : rot 180:sc= 0 USER MOD Single : C 52 LYS NZ :NH3+ -169:sc= -0.0184 (180deg=-0.142) USER MOD Single : C 53 ASN :FLIP amide:sc= -0.221 F(o=-2.4!,f=-0.22) USER MOD Single : C 59 ASN : amide:sc= -0.354 K(o=-0.35,f=-5!) USER MOD Single : C 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 64 TYR OH : rot 180:sc= 0 USER MOD Single : C 65 THR OG1 : rot 90:sc= -0.514 USER MOD Single : C 67 ASN : amide:sc= 0.78 K(o=0.78,f=-0.057) USER MOD Single : C 69 LYS NZ :NH3+ -166:sc= -0.0275 (180deg=-0.229) USER MOD Single : C 70 SER OG : rot 180:sc= 0 USER MOD Single : C 76 SER OG : rot 69:sc= -0.604 USER MOD Single : C 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : C 83 ASN :FLIP amide:sc= -2.18! C(o=-3.5!,f=-2.2!) USER MOD Single : C 85 LYS NZ :NH3+ -169:sc= 0.995 (180deg=0.92) USER MOD Single : C 88 TYR OH : rot 180:sc= -0.0153 USER MOD Single : C 92 LYS NZ :NH3+ -168:sc= -0.0249 (180deg=-0.262) USER MOD Single : C 93 GLN :FLIP amide:sc= -0.592 F(o=-1.6!,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP C 1 -20.068 -6.063 6.082 1.00 0.00 N ATOM 2 CA ASP C 1 -19.997 -7.295 5.261 1.00 0.00 C ATOM 3 C ASP C 1 -20.549 -7.027 3.869 1.00 0.00 C ATOM 4 O ASP C 1 -21.684 -7.386 3.558 1.00 0.00 O ATOM 5 CB ASP C 1 -20.781 -8.430 5.924 1.00 0.00 C ATOM 6 CG ASP C 1 -20.248 -8.776 7.295 1.00 0.00 C ATOM 7 OD1 ASP C 1 -19.321 -9.602 7.389 1.00 0.00 O ATOM 8 OD2 ASP C 1 -20.755 -8.223 8.291 1.00 0.00 O1- ATOM 0 H1 ASP C 1 -19.525 -6.198 6.959 1.00 0.00 H new ATOM 0 H2 ASP C 1 -19.669 -5.266 5.547 1.00 0.00 H new ATOM 0 H3 ASP C 1 -21.060 -5.859 6.317 1.00 0.00 H new ATOM 0 HA ASP C 1 -18.952 -7.596 5.179 1.00 0.00 H new ATOM 0 HB2 ASP C 1 -21.829 -8.143 6.007 1.00 0.00 H new ATOM 0 HB3 ASP C 1 -20.742 -9.315 5.288 1.00 0.00 H new ATOM 13 N ASN C 2 -19.737 -6.393 3.035 1.00 0.00 N ATOM 14 CA ASN C 2 -20.163 -5.979 1.701 1.00 0.00 C ATOM 15 C ASN C 2 -19.059 -6.245 0.690 1.00 0.00 C ATOM 16 O ASN C 2 -19.317 -6.408 -0.503 1.00 0.00 O ATOM 17 CB ASN C 2 -20.534 -4.491 1.673 1.00 0.00 C ATOM 18 CG ASN C 2 -21.680 -4.148 2.605 1.00 0.00 C ATOM 19 OD1 ASN C 2 -22.848 -4.255 2.237 1.00 0.00 O ATOM 20 ND2 ASN C 2 -21.354 -3.715 3.813 1.00 0.00 N ATOM 0 H ASN C 2 -18.772 -6.152 3.259 1.00 0.00 H new ATOM 0 HA ASN C 2 -21.046 -6.561 1.439 1.00 0.00 H new ATOM 0 HB2 ASN C 2 -19.661 -3.899 1.947 1.00 0.00 H new ATOM 0 HB3 ASN C 2 -20.804 -4.209 0.655 1.00 0.00 H new ATOM 0 HD21 ASN C 2 -22.084 -3.456 4.476 1.00 0.00 H new ATOM 0 HD22 ASN C 2 -20.372 -3.640 4.080 1.00 0.00 H new ATOM 27 N GLN C 3 -17.822 -6.302 1.173 1.00 0.00 N ATOM 28 CA GLN C 3 -16.688 -6.624 0.319 1.00 0.00 C ATOM 29 C GLN C 3 -16.604 -8.123 0.088 1.00 0.00 C ATOM 30 O GLN C 3 -15.617 -8.642 -0.430 1.00 0.00 O ATOM 31 CB GLN C 3 -15.381 -6.105 0.913 1.00 0.00 C ATOM 32 CG GLN C 3 -15.149 -4.628 0.648 1.00 0.00 C ATOM 33 CD GLN C 3 -15.988 -3.724 1.529 1.00 0.00 C ATOM 34 OE1 GLN C 3 -16.317 -4.070 2.663 1.00 0.00 O ATOM 35 NE2 GLN C 3 -16.348 -2.564 1.010 1.00 0.00 N ATOM 0 H GLN C 3 -17.581 -6.130 2.149 1.00 0.00 H new ATOM 0 HA GLN C 3 -16.842 -6.129 -0.640 1.00 0.00 H new ATOM 0 HB2 GLN C 3 -15.384 -6.278 1.989 1.00 0.00 H new ATOM 0 HB3 GLN C 3 -14.550 -6.677 0.501 1.00 0.00 H new ATOM 0 HG2 GLN C 3 -14.095 -4.399 0.803 1.00 0.00 H new ATOM 0 HG3 GLN C 3 -15.371 -4.414 -0.397 1.00 0.00 H new ATOM 0 HE21 GLN C 3 -16.054 -2.315 0.066 1.00 0.00 H new ATOM 0 HE22 GLN C 3 -16.920 -1.918 1.554 1.00 0.00 H new ATOM 44 N LYS C 4 -17.657 -8.804 0.487 1.00 0.00 N ATOM 45 CA LYS C 4 -17.804 -10.222 0.235 1.00 0.00 C ATOM 46 C LYS C 4 -17.897 -10.464 -1.268 1.00 0.00 C ATOM 47 O LYS C 4 -17.369 -11.447 -1.789 1.00 0.00 O ATOM 48 CB LYS C 4 -19.057 -10.740 0.941 1.00 0.00 C ATOM 49 CG LYS C 4 -19.134 -12.258 1.015 1.00 0.00 C ATOM 50 CD LYS C 4 -20.343 -12.729 1.812 1.00 0.00 C ATOM 51 CE LYS C 4 -20.288 -12.262 3.261 1.00 0.00 C ATOM 52 NZ LYS C 4 -19.046 -12.707 3.948 1.00 0.00 N1+ ATOM 0 H LYS C 4 -18.437 -8.389 0.996 1.00 0.00 H new ATOM 0 HA LYS C 4 -16.938 -10.758 0.624 1.00 0.00 H new ATOM 0 HB2 LYS C 4 -19.088 -10.334 1.952 1.00 0.00 H new ATOM 0 HB3 LYS C 4 -19.938 -10.365 0.420 1.00 0.00 H new ATOM 0 HG2 LYS C 4 -19.182 -12.668 0.006 1.00 0.00 H new ATOM 0 HG3 LYS C 4 -18.224 -12.645 1.473 1.00 0.00 H new ATOM 0 HD2 LYS C 4 -21.254 -12.354 1.345 1.00 0.00 H new ATOM 0 HD3 LYS C 4 -20.394 -13.817 1.783 1.00 0.00 H new ATOM 0 HE2 LYS C 4 -20.349 -11.174 3.293 1.00 0.00 H new ATOM 0 HE3 LYS C 4 -21.156 -12.646 3.798 1.00 0.00 H new ATOM 0 HZ1 LYS C 4 -19.139 -12.548 4.971 1.00 0.00 H new ATOM 0 HZ2 LYS C 4 -18.893 -13.720 3.768 1.00 0.00 H new ATOM 0 HZ3 LYS C 4 -18.236 -12.165 3.586 1.00 0.00 H new ATOM 66 N ALA C 5 -18.567 -9.550 -1.958 1.00 0.00 N ATOM 67 CA ALA C 5 -18.659 -9.602 -3.409 1.00 0.00 C ATOM 68 C ALA C 5 -17.518 -8.823 -4.047 1.00 0.00 C ATOM 69 O ALA C 5 -16.798 -9.335 -4.902 1.00 0.00 O ATOM 70 CB ALA C 5 -20.003 -9.064 -3.877 1.00 0.00 C ATOM 0 H ALA C 5 -19.056 -8.762 -1.533 1.00 0.00 H new ATOM 0 HA ALA C 5 -18.578 -10.643 -3.721 1.00 0.00 H new ATOM 0 HB1 ALA C 5 -20.055 -9.110 -4.965 1.00 0.00 H new ATOM 0 HB2 ALA C 5 -20.805 -9.666 -3.450 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -20.114 -8.029 -3.552 1.00 0.00 H new ATOM 76 N LEU C 6 -17.358 -7.589 -3.614 1.00 0.00 N ATOM 77 CA LEU C 6 -16.319 -6.709 -4.140 1.00 0.00 C ATOM 78 C LEU C 6 -15.037 -6.846 -3.327 1.00 0.00 C ATOM 79 O LEU C 6 -15.011 -6.510 -2.149 1.00 0.00 O ATOM 80 CB LEU C 6 -16.795 -5.257 -4.108 1.00 0.00 C ATOM 81 CG LEU C 6 -18.048 -4.962 -4.929 1.00 0.00 C ATOM 82 CD1 LEU C 6 -18.516 -3.537 -4.683 1.00 0.00 C ATOM 83 CD2 LEU C 6 -17.781 -5.182 -6.409 1.00 0.00 C ATOM 0 H LEU C 6 -17.938 -7.164 -2.891 1.00 0.00 H new ATOM 0 HA LEU C 6 -16.114 -6.999 -5.171 1.00 0.00 H new ATOM 0 HB2 LEU C 6 -16.986 -4.977 -3.072 1.00 0.00 H new ATOM 0 HB3 LEU C 6 -15.987 -4.619 -4.467 1.00 0.00 H new ATOM 0 HG LEU C 6 -18.835 -5.648 -4.615 1.00 0.00 H new ATOM 0 HD11 LEU C 6 -19.410 -3.340 -5.275 1.00 0.00 H new ATOM 0 HD12 LEU C 6 -18.745 -3.407 -3.625 1.00 0.00 H new ATOM 0 HD13 LEU C 6 -17.729 -2.841 -4.972 1.00 0.00 H new ATOM 0 HD21 LEU C 6 -18.686 -4.967 -6.978 1.00 0.00 H new ATOM 0 HD22 LEU C 6 -16.980 -4.519 -6.737 1.00 0.00 H new ATOM 0 HD23 LEU C 6 -17.486 -6.218 -6.575 1.00 0.00 H new ATOM 95 N GLU C 7 -13.968 -7.302 -3.965 1.00 0.00 N ATOM 96 CA GLU C 7 -12.708 -7.585 -3.272 1.00 0.00 C ATOM 97 C GLU C 7 -11.941 -6.313 -2.891 1.00 0.00 C ATOM 98 O GLU C 7 -10.723 -6.358 -2.719 1.00 0.00 O ATOM 99 CB GLU C 7 -11.796 -8.470 -4.126 1.00 0.00 C ATOM 100 CG GLU C 7 -12.394 -9.808 -4.522 1.00 0.00 C ATOM 101 CD GLU C 7 -13.373 -9.709 -5.672 1.00 0.00 C ATOM 102 OE1 GLU C 7 -13.415 -8.651 -6.337 1.00 0.00 O ATOM 103 OE2 GLU C 7 -14.087 -10.701 -5.932 1.00 0.00 O1- ATOM 0 H GLU C 7 -13.944 -7.486 -4.968 1.00 0.00 H new ATOM 0 HA GLU C 7 -12.985 -8.106 -2.355 1.00 0.00 H new ATOM 0 HB2 GLU C 7 -11.529 -7.925 -5.032 1.00 0.00 H new ATOM 0 HB3 GLU C 7 -10.871 -8.650 -3.578 1.00 0.00 H new ATOM 0 HG2 GLU C 7 -11.590 -10.491 -4.796 1.00 0.00 H new ATOM 0 HG3 GLU C 7 -12.900 -10.242 -3.659 1.00 0.00 H new ATOM 110 N GLU C 8 -12.655 -5.199 -2.743 1.00 0.00 N ATOM 111 CA GLU C 8 -12.047 -3.894 -2.488 1.00 0.00 C ATOM 112 C GLU C 8 -11.080 -3.965 -1.311 1.00 0.00 C ATOM 113 O GLU C 8 -9.892 -3.679 -1.441 1.00 0.00 O ATOM 114 CB GLU C 8 -13.141 -2.868 -2.181 1.00 0.00 C ATOM 115 CG GLU C 8 -14.333 -2.950 -3.118 1.00 0.00 C ATOM 116 CD GLU C 8 -15.418 -1.944 -2.786 1.00 0.00 C ATOM 117 OE1 GLU C 8 -15.925 -1.964 -1.641 1.00 0.00 O ATOM 118 OE2 GLU C 8 -15.780 -1.145 -3.673 1.00 0.00 O1- ATOM 0 H GLU C 8 -13.673 -5.175 -2.797 1.00 0.00 H new ATOM 0 HA GLU C 8 -11.494 -3.594 -3.378 1.00 0.00 H new ATOM 0 HB2 GLU C 8 -13.485 -3.011 -1.157 1.00 0.00 H new ATOM 0 HB3 GLU C 8 -12.714 -1.867 -2.237 1.00 0.00 H new ATOM 0 HG2 GLU C 8 -13.995 -2.787 -4.142 1.00 0.00 H new ATOM 0 HG3 GLU C 8 -14.752 -3.955 -3.077 1.00 0.00 H new ATOM 125 N GLN C 9 -11.613 -4.353 -0.163 1.00 0.00 N ATOM 126 CA GLN C 9 -10.821 -4.503 1.055 1.00 0.00 C ATOM 127 C GLN C 9 -10.447 -5.965 1.299 1.00 0.00 C ATOM 128 O GLN C 9 -10.088 -6.339 2.413 1.00 0.00 O ATOM 129 CB GLN C 9 -11.583 -3.966 2.275 1.00 0.00 C ATOM 130 CG GLN C 9 -11.209 -2.545 2.683 1.00 0.00 C ATOM 131 CD GLN C 9 -11.992 -1.456 1.963 1.00 0.00 C ATOM 132 OE1 GLN C 9 -12.405 -1.709 0.733 1.00 0.00 O flip ATOM 133 NE2 GLN C 9 -12.217 -0.380 2.518 1.00 0.00 N flip ATOM 0 H GLN C 9 -12.602 -4.573 -0.046 1.00 0.00 H new ATOM 0 HA GLN C 9 -9.908 -3.924 0.917 1.00 0.00 H new ATOM 0 HB2 GLN C 9 -12.652 -4.000 2.063 1.00 0.00 H new ATOM 0 HB3 GLN C 9 -11.405 -4.631 3.120 1.00 0.00 H new ATOM 0 HG2 GLN C 9 -11.363 -2.436 3.757 1.00 0.00 H new ATOM 0 HG3 GLN C 9 -10.146 -2.395 2.496 1.00 0.00 H new ATOM 0 HE21 GLN C 9 -11.884 -0.217 3.468 1.00 0.00 H new ATOM 0 HE22 GLN C 9 -12.736 0.348 2.027 1.00 0.00 H new ATOM 142 N MET C 10 -10.547 -6.796 0.270 1.00 0.00 N ATOM 143 CA MET C 10 -10.341 -8.233 0.443 1.00 0.00 C ATOM 144 C MET C 10 -9.147 -8.746 -0.367 1.00 0.00 C ATOM 145 O MET C 10 -8.177 -8.017 -0.572 1.00 0.00 O ATOM 146 CB MET C 10 -11.615 -8.998 0.072 1.00 0.00 C ATOM 147 CG MET C 10 -12.777 -8.771 1.031 1.00 0.00 C ATOM 148 SD MET C 10 -12.821 -9.947 2.407 1.00 0.00 S ATOM 149 CE MET C 10 -11.313 -9.555 3.295 1.00 0.00 C ATOM 0 H MET C 10 -10.767 -6.507 -0.683 1.00 0.00 H new ATOM 0 HA MET C 10 -10.113 -8.408 1.494 1.00 0.00 H new ATOM 0 HB2 MET C 10 -11.923 -8.705 -0.932 1.00 0.00 H new ATOM 0 HB3 MET C 10 -11.389 -10.064 0.037 1.00 0.00 H new ATOM 0 HG2 MET C 10 -12.715 -7.759 1.431 1.00 0.00 H new ATOM 0 HG3 MET C 10 -13.713 -8.838 0.477 1.00 0.00 H new ATOM 0 HE1 MET C 10 -11.398 -9.898 4.326 1.00 0.00 H new ATOM 0 HE2 MET C 10 -10.469 -10.052 2.816 1.00 0.00 H new ATOM 0 HE3 MET C 10 -11.154 -8.477 3.283 1.00 0.00 H new ATOM 159 N ASN C 11 -9.247 -9.997 -0.831 1.00 0.00 N ATOM 160 CA ASN C 11 -8.132 -10.742 -1.434 1.00 0.00 C ATOM 161 C ASN C 11 -7.268 -9.906 -2.374 1.00 0.00 C ATOM 162 O ASN C 11 -6.044 -10.029 -2.353 1.00 0.00 O ATOM 163 CB ASN C 11 -8.663 -11.962 -2.193 1.00 0.00 C ATOM 164 CG ASN C 11 -9.249 -13.026 -1.280 1.00 0.00 C ATOM 165 OD1 ASN C 11 -9.792 -12.729 -0.212 1.00 0.00 O ATOM 166 ND2 ASN C 11 -9.149 -14.277 -1.698 1.00 0.00 N ATOM 0 H ASN C 11 -10.117 -10.529 -0.798 1.00 0.00 H new ATOM 0 HA ASN C 11 -7.494 -11.047 -0.604 1.00 0.00 H new ATOM 0 HB2 ASN C 11 -9.427 -11.638 -2.900 1.00 0.00 H new ATOM 0 HB3 ASN C 11 -7.853 -12.399 -2.777 1.00 0.00 H new ATOM 0 HD21 ASN C 11 -9.528 -15.036 -1.131 1.00 0.00 H new ATOM 0 HD22 ASN C 11 -8.693 -14.483 -2.587 1.00 0.00 H new ATOM 173 N SER C 12 -7.896 -9.060 -3.187 1.00 0.00 N ATOM 174 CA SER C 12 -7.169 -8.241 -4.153 1.00 0.00 C ATOM 175 C SER C 12 -6.056 -7.430 -3.484 1.00 0.00 C ATOM 176 O SER C 12 -4.967 -7.280 -4.042 1.00 0.00 O ATOM 177 CB SER C 12 -8.134 -7.303 -4.878 1.00 0.00 C ATOM 178 OG SER C 12 -9.140 -8.035 -5.559 1.00 0.00 O ATOM 0 H SER C 12 -8.907 -8.924 -3.196 1.00 0.00 H new ATOM 0 HA SER C 12 -6.705 -8.914 -4.874 1.00 0.00 H new ATOM 0 HB2 SER C 12 -8.596 -6.625 -4.160 1.00 0.00 H new ATOM 0 HB3 SER C 12 -7.583 -6.687 -5.589 1.00 0.00 H new ATOM 0 HG SER C 12 -9.648 -7.431 -6.140 1.00 0.00 H new ATOM 184 N ILE C 13 -6.329 -6.908 -2.294 1.00 0.00 N ATOM 185 CA ILE C 13 -5.351 -6.098 -1.585 1.00 0.00 C ATOM 186 C ILE C 13 -4.501 -6.956 -0.635 1.00 0.00 C ATOM 187 O ILE C 13 -3.312 -6.696 -0.443 1.00 0.00 O ATOM 188 CB ILE C 13 -6.037 -4.922 -0.837 1.00 0.00 C ATOM 189 CG1 ILE C 13 -5.012 -3.841 -0.464 1.00 0.00 C ATOM 190 CG2 ILE C 13 -6.790 -5.406 0.399 1.00 0.00 C ATOM 191 CD1 ILE C 13 -4.395 -3.997 0.908 1.00 0.00 C ATOM 0 H ILE C 13 -7.215 -7.031 -1.804 1.00 0.00 H new ATOM 0 HA ILE C 13 -4.675 -5.666 -2.323 1.00 0.00 H new ATOM 0 HB ILE C 13 -6.768 -4.482 -1.515 1.00 0.00 H new ATOM 0 HG12 ILE C 13 -4.215 -3.844 -1.208 1.00 0.00 H new ATOM 0 HG13 ILE C 13 -5.497 -2.866 -0.520 1.00 0.00 H new ATOM 0 HG21 ILE C 13 -7.257 -4.556 0.897 1.00 0.00 H new ATOM 0 HG22 ILE C 13 -7.559 -6.119 0.101 1.00 0.00 H new ATOM 0 HG23 ILE C 13 -6.093 -5.889 1.084 1.00 0.00 H new ATOM 0 HD11 ILE C 13 -3.685 -3.189 1.082 1.00 0.00 H new ATOM 0 HD12 ILE C 13 -5.178 -3.961 1.665 1.00 0.00 H new ATOM 0 HD13 ILE C 13 -3.877 -4.954 0.967 1.00 0.00 H new ATOM 203 N ASN C 14 -5.097 -8.000 -0.065 1.00 0.00 N ATOM 204 CA ASN C 14 -4.387 -8.862 0.885 1.00 0.00 C ATOM 205 C ASN C 14 -3.318 -9.691 0.195 1.00 0.00 C ATOM 206 O ASN C 14 -2.268 -9.963 0.772 1.00 0.00 O ATOM 207 CB ASN C 14 -5.344 -9.797 1.600 1.00 0.00 C ATOM 208 CG ASN C 14 -6.301 -9.076 2.527 1.00 0.00 C ATOM 209 OD1 ASN C 14 -7.409 -8.712 2.139 1.00 0.00 O ATOM 210 ND2 ASN C 14 -5.876 -8.859 3.761 1.00 0.00 N ATOM 0 H ASN C 14 -6.064 -8.271 -0.241 1.00 0.00 H new ATOM 0 HA ASN C 14 -3.914 -8.201 1.611 1.00 0.00 H new ATOM 0 HB2 ASN C 14 -5.917 -10.356 0.860 1.00 0.00 H new ATOM 0 HB3 ASN C 14 -4.770 -10.524 2.175 1.00 0.00 H new ATOM 0 HD21 ASN C 14 -6.475 -8.374 4.429 1.00 0.00 H new ATOM 0 HD22 ASN C 14 -4.949 -9.177 4.045 1.00 0.00 H new ATOM 217 N SER C 15 -3.590 -10.100 -1.037 1.00 0.00 N ATOM 218 CA SER C 15 -2.602 -10.815 -1.831 1.00 0.00 C ATOM 219 C SER C 15 -1.365 -9.943 -1.999 1.00 0.00 C ATOM 220 O SER C 15 -0.235 -10.430 -2.034 1.00 0.00 O ATOM 221 CB SER C 15 -3.188 -11.192 -3.195 1.00 0.00 C ATOM 222 OG SER C 15 -2.221 -11.823 -4.018 1.00 0.00 O ATOM 0 H SER C 15 -4.483 -9.949 -1.506 1.00 0.00 H new ATOM 0 HA SER C 15 -2.322 -11.735 -1.319 1.00 0.00 H new ATOM 0 HB2 SER C 15 -4.039 -11.858 -3.055 1.00 0.00 H new ATOM 0 HB3 SER C 15 -3.562 -10.297 -3.692 1.00 0.00 H new ATOM 0 HG SER C 15 -2.625 -12.053 -4.881 1.00 0.00 H new ATOM 228 N VAL C 16 -1.595 -8.641 -2.071 1.00 0.00 N ATOM 229 CA VAL C 16 -0.515 -7.681 -2.142 1.00 0.00 C ATOM 230 C VAL C 16 0.196 -7.590 -0.796 1.00 0.00 C ATOM 231 O VAL C 16 1.414 -7.441 -0.751 1.00 0.00 O ATOM 232 CB VAL C 16 -1.027 -6.291 -2.564 1.00 0.00 C ATOM 233 CG1 VAL C 16 0.121 -5.303 -2.696 1.00 0.00 C ATOM 234 CG2 VAL C 16 -1.796 -6.389 -3.870 1.00 0.00 C ATOM 0 H VAL C 16 -2.527 -8.227 -2.082 1.00 0.00 H new ATOM 0 HA VAL C 16 0.190 -8.025 -2.899 1.00 0.00 H new ATOM 0 HB VAL C 16 -1.698 -5.925 -1.787 1.00 0.00 H new ATOM 0 HG11 VAL C 16 -0.269 -4.330 -2.995 1.00 0.00 H new ATOM 0 HG12 VAL C 16 0.633 -5.210 -1.738 1.00 0.00 H new ATOM 0 HG13 VAL C 16 0.823 -5.660 -3.450 1.00 0.00 H new ATOM 0 HG21 VAL C 16 -2.153 -5.400 -4.157 1.00 0.00 H new ATOM 0 HG22 VAL C 16 -1.141 -6.779 -4.649 1.00 0.00 H new ATOM 0 HG23 VAL C 16 -2.647 -7.058 -3.742 1.00 0.00 H new ATOM 244 N ASN C 17 -0.557 -7.721 0.303 1.00 0.00 N ATOM 245 CA ASN C 17 0.049 -7.693 1.639 1.00 0.00 C ATOM 246 C ASN C 17 1.094 -8.793 1.771 1.00 0.00 C ATOM 247 O ASN C 17 2.205 -8.561 2.255 1.00 0.00 O ATOM 248 CB ASN C 17 -1.006 -7.874 2.731 1.00 0.00 C ATOM 249 CG ASN C 17 -1.705 -6.589 3.108 1.00 0.00 C ATOM 250 OD1 ASN C 17 -1.305 -5.903 4.050 1.00 0.00 O ATOM 251 ND2 ASN C 17 -2.744 -6.246 2.373 1.00 0.00 N ATOM 0 H ASN C 17 -1.569 -7.845 0.295 1.00 0.00 H new ATOM 0 HA ASN C 17 0.521 -6.719 1.763 1.00 0.00 H new ATOM 0 HB2 ASN C 17 -1.748 -8.597 2.393 1.00 0.00 H new ATOM 0 HB3 ASN C 17 -0.532 -8.295 3.618 1.00 0.00 H new ATOM 0 HD21 ASN C 17 -3.250 -5.384 2.576 1.00 0.00 H new ATOM 0 HD22 ASN C 17 -3.042 -6.843 1.602 1.00 0.00 H new ATOM 258 N ASP C 18 0.730 -9.987 1.315 1.00 0.00 N ATOM 259 CA ASP C 18 1.608 -11.150 1.396 1.00 0.00 C ATOM 260 C ASP C 18 2.803 -11.009 0.464 1.00 0.00 C ATOM 261 O ASP C 18 3.892 -11.502 0.756 1.00 0.00 O ATOM 262 CB ASP C 18 0.845 -12.430 1.049 1.00 0.00 C ATOM 263 CG ASP C 18 -0.187 -12.799 2.092 1.00 0.00 C ATOM 264 OD1 ASP C 18 0.154 -12.828 3.294 1.00 0.00 O ATOM 265 OD2 ASP C 18 -1.342 -13.087 1.716 1.00 0.00 O1- ATOM 0 H ASP C 18 -0.174 -10.176 0.882 1.00 0.00 H new ATOM 0 HA ASP C 18 1.970 -11.211 2.422 1.00 0.00 H new ATOM 0 HB2 ASP C 18 0.352 -12.303 0.085 1.00 0.00 H new ATOM 0 HB3 ASP C 18 1.553 -13.251 0.939 1.00 0.00 H new ATOM 270 N LYS C 19 2.600 -10.323 -0.650 1.00 0.00 N ATOM 271 CA LYS C 19 3.642 -10.179 -1.654 1.00 0.00 C ATOM 272 C LYS C 19 4.620 -9.090 -1.236 1.00 0.00 C ATOM 273 O LYS C 19 5.824 -9.186 -1.479 1.00 0.00 O ATOM 274 CB LYS C 19 3.021 -9.865 -3.017 1.00 0.00 C ATOM 275 CG LYS C 19 4.040 -9.716 -4.136 1.00 0.00 C ATOM 276 CD LYS C 19 3.376 -9.688 -5.503 1.00 0.00 C ATOM 277 CE LYS C 19 2.364 -8.561 -5.624 1.00 0.00 C ATOM 278 NZ LYS C 19 1.779 -8.497 -6.987 1.00 0.00 N1+ ATOM 0 H LYS C 19 1.723 -9.857 -0.882 1.00 0.00 H new ATOM 0 HA LYS C 19 4.190 -11.117 -1.739 1.00 0.00 H new ATOM 0 HB2 LYS C 19 2.321 -10.659 -3.279 1.00 0.00 H new ATOM 0 HB3 LYS C 19 2.443 -8.944 -2.939 1.00 0.00 H new ATOM 0 HG2 LYS C 19 4.609 -8.798 -3.989 1.00 0.00 H new ATOM 0 HG3 LYS C 19 4.750 -10.542 -4.094 1.00 0.00 H new ATOM 0 HD2 LYS C 19 4.138 -9.574 -6.274 1.00 0.00 H new ATOM 0 HD3 LYS C 19 2.880 -10.641 -5.684 1.00 0.00 H new ATOM 0 HE2 LYS C 19 1.569 -8.705 -4.892 1.00 0.00 H new ATOM 0 HE3 LYS C 19 2.846 -7.612 -5.389 1.00 0.00 H new ATOM 0 HZ1 LYS C 19 1.093 -7.717 -7.034 1.00 0.00 H new ATOM 0 HZ2 LYS C 19 2.535 -8.335 -7.682 1.00 0.00 H new ATOM 0 HZ3 LYS C 19 1.298 -9.394 -7.201 1.00 0.00 H new ATOM 292 N LEU C 20 4.087 -8.062 -0.593 1.00 0.00 N ATOM 293 CA LEU C 20 4.900 -6.985 -0.055 1.00 0.00 C ATOM 294 C LEU C 20 5.727 -7.482 1.119 1.00 0.00 C ATOM 295 O LEU C 20 6.846 -7.020 1.350 1.00 0.00 O ATOM 296 CB LEU C 20 4.008 -5.832 0.387 1.00 0.00 C ATOM 297 CG LEU C 20 3.297 -5.096 -0.746 1.00 0.00 C ATOM 298 CD1 LEU C 20 2.462 -3.959 -0.187 1.00 0.00 C ATOM 299 CD2 LEU C 20 4.310 -4.582 -1.758 1.00 0.00 C ATOM 0 H LEU C 20 3.086 -7.952 -0.431 1.00 0.00 H new ATOM 0 HA LEU C 20 5.577 -6.634 -0.834 1.00 0.00 H new ATOM 0 HB2 LEU C 20 3.258 -6.217 1.077 1.00 0.00 H new ATOM 0 HB3 LEU C 20 4.614 -5.116 0.942 1.00 0.00 H new ATOM 0 HG LEU C 20 2.630 -5.790 -1.257 1.00 0.00 H new ATOM 0 HD11 LEU C 20 1.959 -3.441 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU C 20 1.718 -4.359 0.502 1.00 0.00 H new ATOM 0 HD13 LEU C 20 3.108 -3.259 0.343 1.00 0.00 H new ATOM 0 HD21 LEU C 20 3.790 -4.059 -2.560 1.00 0.00 H new ATOM 0 HD22 LEU C 20 5.000 -3.896 -1.266 1.00 0.00 H new ATOM 0 HD23 LEU C 20 4.867 -5.422 -2.174 1.00 0.00 H new ATOM 311 N ASN C 21 5.172 -8.430 1.853 1.00 0.00 N ATOM 312 CA ASN C 21 5.881 -9.078 2.945 1.00 0.00 C ATOM 313 C ASN C 21 6.854 -10.124 2.392 1.00 0.00 C ATOM 314 O ASN C 21 6.776 -11.308 2.714 1.00 0.00 O ATOM 315 CB ASN C 21 4.877 -9.705 3.920 1.00 0.00 C ATOM 316 CG ASN C 21 4.429 -8.737 5.010 1.00 0.00 C ATOM 317 OD1 ASN C 21 5.018 -8.702 6.087 1.00 0.00 O ATOM 318 ND2 ASN C 21 3.399 -7.936 4.749 1.00 0.00 N ATOM 0 H ASN C 21 4.222 -8.772 1.711 1.00 0.00 H new ATOM 0 HA ASN C 21 6.463 -8.336 3.492 1.00 0.00 H new ATOM 0 HB2 ASN C 21 4.004 -10.049 3.365 1.00 0.00 H new ATOM 0 HB3 ASN C 21 5.327 -10.583 4.383 1.00 0.00 H new ATOM 0 HD21 ASN C 21 3.079 -7.270 5.453 1.00 0.00 H new ATOM 0 HD22 ASN C 21 2.929 -7.988 3.845 1.00 0.00 H new ATOM 325 N LYS C 22 7.774 -9.653 1.548 1.00 0.00 N ATOM 326 CA LYS C 22 8.735 -10.512 0.850 1.00 0.00 C ATOM 327 C LYS C 22 10.020 -10.752 1.654 1.00 0.00 C ATOM 328 O LYS C 22 10.997 -11.280 1.123 1.00 0.00 O ATOM 329 CB LYS C 22 9.072 -9.912 -0.533 1.00 0.00 C ATOM 330 CG LYS C 22 9.363 -8.407 -0.532 1.00 0.00 C ATOM 331 CD LYS C 22 10.702 -8.070 0.116 1.00 0.00 C ATOM 332 CE LYS C 22 10.602 -6.844 1.011 1.00 0.00 C ATOM 333 NZ LYS C 22 9.428 -6.930 1.908 1.00 0.00 N1+ ATOM 0 H LYS C 22 7.875 -8.662 1.328 1.00 0.00 H new ATOM 0 HA LYS C 22 8.259 -11.485 0.725 1.00 0.00 H new ATOM 0 HB2 LYS C 22 9.939 -10.434 -0.938 1.00 0.00 H new ATOM 0 HB3 LYS C 22 8.239 -10.105 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS C 22 9.357 -8.039 -1.558 1.00 0.00 H new ATOM 0 HG3 LYS C 22 8.565 -7.887 -0.002 1.00 0.00 H new ATOM 0 HD2 LYS C 22 11.047 -8.922 0.703 1.00 0.00 H new ATOM 0 HD3 LYS C 22 11.448 -7.894 -0.660 1.00 0.00 H new ATOM 0 HE2 LYS C 22 11.511 -6.749 1.605 1.00 0.00 H new ATOM 0 HE3 LYS C 22 10.528 -5.947 0.396 1.00 0.00 H new ATOM 0 HZ1 LYS C 22 9.511 -6.215 2.659 1.00 0.00 H new ATOM 0 HZ2 LYS C 22 8.560 -6.758 1.361 1.00 0.00 H new ATOM 0 HZ3 LYS C 22 9.386 -7.877 2.335 1.00 0.00 H new ATOM 347 N GLY C 23 10.030 -10.349 2.917 1.00 0.00 N ATOM 348 CA GLY C 23 11.190 -10.579 3.759 1.00 0.00 C ATOM 349 C GLY C 23 11.695 -9.300 4.382 1.00 0.00 C ATOM 350 O GLY C 23 11.514 -9.064 5.576 1.00 0.00 O ATOM 0 H GLY C 23 9.256 -9.867 3.375 1.00 0.00 H new ATOM 0 HA2 GLY C 23 10.933 -11.289 4.545 1.00 0.00 H new ATOM 0 HA3 GLY C 23 11.985 -11.033 3.167 1.00 0.00 H new ATOM 354 N LYS C 24 12.314 -8.467 3.562 1.00 0.00 N ATOM 355 CA LYS C 24 12.791 -7.161 3.992 1.00 0.00 C ATOM 356 C LYS C 24 11.629 -6.177 4.106 1.00 0.00 C ATOM 357 O LYS C 24 10.485 -6.599 4.259 1.00 0.00 O ATOM 358 CB LYS C 24 13.858 -6.659 3.030 1.00 0.00 C ATOM 359 CG LYS C 24 15.184 -7.376 3.196 1.00 0.00 C ATOM 360 CD LYS C 24 16.165 -6.960 2.125 1.00 0.00 C ATOM 361 CE LYS C 24 17.577 -7.439 2.423 1.00 0.00 C ATOM 362 NZ LYS C 24 18.141 -6.801 3.644 1.00 0.00 N1+ ATOM 0 H LYS C 24 12.500 -8.675 2.581 1.00 0.00 H new ATOM 0 HA LYS C 24 13.240 -7.250 4.981 1.00 0.00 H new ATOM 0 HB2 LYS C 24 13.507 -6.787 2.006 1.00 0.00 H new ATOM 0 HB3 LYS C 24 14.006 -5.590 3.185 1.00 0.00 H new ATOM 0 HG2 LYS C 24 15.599 -7.156 4.179 1.00 0.00 H new ATOM 0 HG3 LYS C 24 15.026 -8.454 3.151 1.00 0.00 H new ATOM 0 HD2 LYS C 24 15.843 -7.360 1.164 1.00 0.00 H new ATOM 0 HD3 LYS C 24 16.163 -5.874 2.035 1.00 0.00 H new ATOM 0 HE2 LYS C 24 17.572 -8.522 2.550 1.00 0.00 H new ATOM 0 HE3 LYS C 24 18.220 -7.221 1.571 1.00 0.00 H new ATOM 0 HZ1 LYS C 24 19.174 -6.922 3.653 1.00 0.00 H new ATOM 0 HZ2 LYS C 24 17.911 -5.787 3.643 1.00 0.00 H new ATOM 0 HZ3 LYS C 24 17.732 -7.248 4.490 1.00 0.00 H new ATOM 376 N GLY C 25 11.919 -4.883 4.038 1.00 0.00 N ATOM 377 CA GLY C 25 10.911 -3.857 4.273 1.00 0.00 C ATOM 378 C GLY C 25 9.594 -4.103 3.600 1.00 0.00 C ATOM 379 O GLY C 25 9.532 -4.434 2.422 1.00 0.00 O ATOM 0 H GLY C 25 12.847 -4.519 3.821 1.00 0.00 H new ATOM 0 HA2 GLY C 25 10.744 -3.771 5.347 1.00 0.00 H new ATOM 0 HA3 GLY C 25 11.303 -2.898 3.934 1.00 0.00 H new ATOM 383 N LYS C 26 8.535 -3.883 4.337 1.00 0.00 N ATOM 384 CA LYS C 26 7.249 -4.414 3.959 1.00 0.00 C ATOM 385 C LYS C 26 6.111 -3.509 4.400 1.00 0.00 C ATOM 386 O LYS C 26 6.175 -2.897 5.466 1.00 0.00 O ATOM 387 CB LYS C 26 7.144 -5.789 4.597 1.00 0.00 C ATOM 388 CG LYS C 26 7.267 -5.750 6.115 1.00 0.00 C ATOM 389 CD LYS C 26 7.593 -7.115 6.699 1.00 0.00 C ATOM 390 CE LYS C 26 9.074 -7.423 6.569 1.00 0.00 C ATOM 391 NZ LYS C 26 9.531 -8.439 7.556 1.00 0.00 N1+ ATOM 0 H LYS C 26 8.537 -3.341 5.201 1.00 0.00 H new ATOM 0 HA LYS C 26 7.167 -4.480 2.874 1.00 0.00 H new ATOM 0 HB2 LYS C 26 6.188 -6.237 4.327 1.00 0.00 H new ATOM 0 HB3 LYS C 26 7.924 -6.433 4.191 1.00 0.00 H new ATOM 0 HG2 LYS C 26 8.045 -5.041 6.397 1.00 0.00 H new ATOM 0 HG3 LYS C 26 6.333 -5.386 6.544 1.00 0.00 H new ATOM 0 HD2 LYS C 26 7.303 -7.144 7.749 1.00 0.00 H new ATOM 0 HD3 LYS C 26 7.012 -7.882 6.187 1.00 0.00 H new ATOM 0 HE2 LYS C 26 9.281 -7.781 5.561 1.00 0.00 H new ATOM 0 HE3 LYS C 26 9.646 -6.505 6.705 1.00 0.00 H new ATOM 0 HZ1 LYS C 26 10.345 -8.957 7.169 1.00 0.00 H new ATOM 0 HZ2 LYS C 26 9.810 -7.965 8.438 1.00 0.00 H new ATOM 0 HZ3 LYS C 26 8.757 -9.106 7.751 1.00 0.00 H new ATOM 405 N LEU C 27 5.081 -3.424 3.568 1.00 0.00 N ATOM 406 CA LEU C 27 3.915 -2.612 3.875 1.00 0.00 C ATOM 407 C LEU C 27 2.784 -3.503 4.373 1.00 0.00 C ATOM 408 O LEU C 27 2.337 -4.402 3.661 1.00 0.00 O ATOM 409 CB LEU C 27 3.419 -1.827 2.641 1.00 0.00 C ATOM 410 CG LEU C 27 4.441 -0.918 1.945 1.00 0.00 C ATOM 411 CD1 LEU C 27 5.380 -1.718 1.050 1.00 0.00 C ATOM 412 CD2 LEU C 27 3.725 0.154 1.137 1.00 0.00 C ATOM 0 H LEU C 27 5.031 -3.910 2.673 1.00 0.00 H new ATOM 0 HA LEU C 27 4.209 -1.897 4.644 1.00 0.00 H new ATOM 0 HB2 LEU C 27 3.047 -2.544 1.909 1.00 0.00 H new ATOM 0 HB3 LEU C 27 2.571 -1.214 2.946 1.00 0.00 H new ATOM 0 HG LEU C 27 5.045 -0.439 2.716 1.00 0.00 H new ATOM 0 HD11 LEU C 27 6.091 -1.043 0.573 1.00 0.00 H new ATOM 0 HD12 LEU C 27 5.921 -2.449 1.651 1.00 0.00 H new ATOM 0 HD13 LEU C 27 4.801 -2.235 0.285 1.00 0.00 H new ATOM 0 HD21 LEU C 27 4.460 0.793 0.648 1.00 0.00 H new ATOM 0 HD22 LEU C 27 3.096 -0.318 0.383 1.00 0.00 H new ATOM 0 HD23 LEU C 27 3.105 0.757 1.801 1.00 0.00 H new ATOM 424 N SER C 28 2.346 -3.272 5.597 1.00 0.00 N ATOM 425 CA SER C 28 1.181 -3.960 6.130 1.00 0.00 C ATOM 426 C SER C 28 -0.037 -3.032 6.040 1.00 0.00 C ATOM 427 O SER C 28 -0.211 -2.148 6.881 1.00 0.00 O ATOM 428 CB SER C 28 1.435 -4.359 7.586 1.00 0.00 C ATOM 429 OG SER C 28 2.554 -5.227 7.691 1.00 0.00 O ATOM 0 H SER C 28 2.779 -2.612 6.243 1.00 0.00 H new ATOM 0 HA SER C 28 0.990 -4.863 5.549 1.00 0.00 H new ATOM 0 HB2 SER C 28 1.606 -3.466 8.186 1.00 0.00 H new ATOM 0 HB3 SER C 28 0.550 -4.850 7.991 1.00 0.00 H new ATOM 0 HG SER C 28 2.696 -5.466 8.631 1.00 0.00 H new ATOM 435 N LEU C 29 -0.867 -3.226 5.022 1.00 0.00 N ATOM 436 CA LEU C 29 -1.958 -2.299 4.725 1.00 0.00 C ATOM 437 C LEU C 29 -3.203 -2.610 5.525 1.00 0.00 C ATOM 438 O LEU C 29 -3.483 -3.766 5.841 1.00 0.00 O ATOM 439 CB LEU C 29 -2.314 -2.334 3.234 1.00 0.00 C ATOM 440 CG LEU C 29 -1.171 -2.094 2.236 1.00 0.00 C ATOM 441 CD1 LEU C 29 -0.235 -0.998 2.711 1.00 0.00 C ATOM 442 CD2 LEU C 29 -0.403 -3.376 1.950 1.00 0.00 C ATOM 0 H LEU C 29 -0.807 -4.020 4.384 1.00 0.00 H new ATOM 0 HA LEU C 29 -1.602 -1.307 5.001 1.00 0.00 H new ATOM 0 HB2 LEU C 29 -2.756 -3.306 3.015 1.00 0.00 H new ATOM 0 HB3 LEU C 29 -3.085 -1.585 3.052 1.00 0.00 H new ATOM 0 HG LEU C 29 -1.626 -1.761 1.303 1.00 0.00 H new ATOM 0 HD11 LEU C 29 0.561 -0.857 1.979 1.00 0.00 H new ATOM 0 HD12 LEU C 29 -0.792 -0.068 2.826 1.00 0.00 H new ATOM 0 HD13 LEU C 29 0.200 -1.281 3.670 1.00 0.00 H new ATOM 0 HD21 LEU C 29 0.398 -3.170 1.240 1.00 0.00 H new ATOM 0 HD22 LEU C 29 0.023 -3.759 2.877 1.00 0.00 H new ATOM 0 HD23 LEU C 29 -1.080 -4.119 1.527 1.00 0.00 H new ATOM 454 N SER C 30 -3.942 -1.563 5.864 1.00 0.00 N ATOM 455 CA SER C 30 -5.256 -1.728 6.428 1.00 0.00 C ATOM 456 C SER C 30 -6.132 -0.529 6.075 1.00 0.00 C ATOM 457 O SER C 30 -5.735 0.623 6.271 1.00 0.00 O ATOM 458 CB SER C 30 -5.178 -1.910 7.948 1.00 0.00 C ATOM 459 OG SER C 30 -6.467 -2.077 8.516 1.00 0.00 O ATOM 0 H SER C 30 -3.646 -0.593 5.755 1.00 0.00 H new ATOM 0 HA SER C 30 -5.704 -2.627 6.004 1.00 0.00 H new ATOM 0 HB2 SER C 30 -4.561 -2.778 8.181 1.00 0.00 H new ATOM 0 HB3 SER C 30 -4.691 -1.043 8.395 1.00 0.00 H new ATOM 0 HG SER C 30 -6.811 -1.207 8.807 1.00 0.00 H new ATOM 465 N MET C 31 -7.317 -0.802 5.547 1.00 0.00 N ATOM 466 CA MET C 31 -8.254 0.252 5.185 1.00 0.00 C ATOM 467 C MET C 31 -9.332 0.360 6.249 1.00 0.00 C ATOM 468 O MET C 31 -10.077 -0.592 6.482 1.00 0.00 O ATOM 469 CB MET C 31 -8.906 -0.039 3.831 1.00 0.00 C ATOM 470 CG MET C 31 -7.926 -0.452 2.747 1.00 0.00 C ATOM 471 SD MET C 31 -8.722 -0.683 1.146 1.00 0.00 S ATOM 472 CE MET C 31 -7.365 -1.360 0.200 1.00 0.00 C ATOM 0 H MET C 31 -7.653 -1.747 5.360 1.00 0.00 H new ATOM 0 HA MET C 31 -7.705 1.191 5.113 1.00 0.00 H new ATOM 0 HB2 MET C 31 -9.645 -0.830 3.958 1.00 0.00 H new ATOM 0 HB3 MET C 31 -9.444 0.850 3.500 1.00 0.00 H new ATOM 0 HG2 MET C 31 -7.149 0.307 2.656 1.00 0.00 H new ATOM 0 HG3 MET C 31 -7.434 -1.379 3.041 1.00 0.00 H new ATOM 0 HE1 MET C 31 -7.725 -1.674 -0.779 1.00 0.00 H new ATOM 0 HE2 MET C 31 -6.593 -0.600 0.076 1.00 0.00 H new ATOM 0 HE3 MET C 31 -6.948 -2.219 0.726 1.00 0.00 H new ATOM 482 N ASN C 32 -9.424 1.510 6.892 1.00 0.00 N ATOM 483 CA ASN C 32 -10.382 1.689 7.971 1.00 0.00 C ATOM 484 C ASN C 32 -11.183 2.967 7.776 1.00 0.00 C ATOM 485 O ASN C 32 -10.790 4.031 8.254 1.00 0.00 O ATOM 486 CB ASN C 32 -9.661 1.726 9.325 1.00 0.00 C ATOM 487 CG ASN C 32 -8.959 0.421 9.654 1.00 0.00 C ATOM 488 OD1 ASN C 32 -7.802 0.211 9.284 1.00 0.00 O ATOM 489 ND2 ASN C 32 -9.647 -0.461 10.359 1.00 0.00 N ATOM 0 H ASN C 32 -8.852 2.330 6.689 1.00 0.00 H new ATOM 0 HA ASN C 32 -11.069 0.843 7.957 1.00 0.00 H new ATOM 0 HB2 ASN C 32 -8.931 2.535 9.320 1.00 0.00 H new ATOM 0 HB3 ASN C 32 -10.383 1.953 10.110 1.00 0.00 H new ATOM 0 HD21 ASN C 32 -9.222 -1.352 10.615 1.00 0.00 H new ATOM 0 HD22 ASN C 32 -10.603 -0.250 10.647 1.00 0.00 H new ATOM 496 N GLY C 33 -12.307 2.847 7.078 1.00 0.00 N ATOM 497 CA GLY C 33 -13.196 3.978 6.860 1.00 0.00 C ATOM 498 C GLY C 33 -12.520 5.134 6.134 1.00 0.00 C ATOM 499 O GLY C 33 -12.280 5.060 4.931 1.00 0.00 O ATOM 0 H GLY C 33 -12.623 1.975 6.653 1.00 0.00 H new ATOM 0 HA2 GLY C 33 -14.060 3.648 6.282 1.00 0.00 H new ATOM 0 HA3 GLY C 33 -13.571 4.329 7.821 1.00 0.00 H new ATOM 503 N ASN C 34 -12.192 6.193 6.868 1.00 0.00 N ATOM 504 CA ASN C 34 -11.568 7.377 6.290 1.00 0.00 C ATOM 505 C ASN C 34 -10.074 7.355 6.606 1.00 0.00 C ATOM 506 O ASN C 34 -9.442 8.386 6.840 1.00 0.00 O ATOM 507 CB ASN C 34 -12.230 8.649 6.836 1.00 0.00 C ATOM 508 CG ASN C 34 -12.010 9.875 5.959 1.00 0.00 C ATOM 509 OD1 ASN C 34 -10.842 9.987 5.346 1.00 0.00 O flip ATOM 510 ND2 ASN C 34 -12.892 10.726 5.845 1.00 0.00 N flip ATOM 0 H ASN C 34 -12.350 6.254 7.874 1.00 0.00 H new ATOM 0 HA ASN C 34 -11.702 7.374 5.208 1.00 0.00 H new ATOM 0 HB2 ASN C 34 -13.301 8.475 6.941 1.00 0.00 H new ATOM 0 HB3 ASN C 34 -11.841 8.852 7.834 1.00 0.00 H new ATOM 0 HD21 ASN C 34 -13.781 10.608 6.332 1.00 0.00 H new ATOM 0 HD22 ASN C 34 -12.734 11.549 5.264 1.00 0.00 H new ATOM 517 N GLN C 35 -9.520 6.162 6.650 1.00 0.00 N ATOM 518 CA GLN C 35 -8.116 5.993 6.961 1.00 0.00 C ATOM 519 C GLN C 35 -7.495 4.842 6.183 1.00 0.00 C ATOM 520 O GLN C 35 -8.099 3.781 6.021 1.00 0.00 O ATOM 521 CB GLN C 35 -7.924 5.737 8.453 1.00 0.00 C ATOM 522 CG GLN C 35 -6.487 5.412 8.815 1.00 0.00 C ATOM 523 CD GLN C 35 -6.316 5.046 10.274 1.00 0.00 C ATOM 524 OE1 GLN C 35 -7.215 4.484 10.898 1.00 0.00 O ATOM 525 NE2 GLN C 35 -5.163 5.365 10.830 1.00 0.00 N ATOM 0 H GLN C 35 -10.022 5.292 6.474 1.00 0.00 H new ATOM 0 HA GLN C 35 -7.617 6.918 6.673 1.00 0.00 H new ATOM 0 HB2 GLN C 35 -8.244 6.616 9.012 1.00 0.00 H new ATOM 0 HB3 GLN C 35 -8.567 4.912 8.761 1.00 0.00 H new ATOM 0 HG2 GLN C 35 -6.139 4.586 8.195 1.00 0.00 H new ATOM 0 HG3 GLN C 35 -5.856 6.271 8.585 1.00 0.00 H new ATOM 0 HE21 GLN C 35 -4.442 5.831 10.278 1.00 0.00 H new ATOM 0 HE22 GLN C 35 -4.992 5.146 11.811 1.00 0.00 H new ATOM 534 N LEU C 36 -6.283 5.073 5.710 1.00 0.00 N ATOM 535 CA LEU C 36 -5.437 4.011 5.205 1.00 0.00 C ATOM 536 C LEU C 36 -4.218 3.945 6.109 1.00 0.00 C ATOM 537 O LEU C 36 -3.331 4.794 6.023 1.00 0.00 O ATOM 538 CB LEU C 36 -5.024 4.285 3.746 1.00 0.00 C ATOM 539 CG LEU C 36 -4.386 3.115 2.964 1.00 0.00 C ATOM 540 CD1 LEU C 36 -3.008 2.752 3.500 1.00 0.00 C ATOM 541 CD2 LEU C 36 -5.294 1.898 2.987 1.00 0.00 C ATOM 0 H LEU C 36 -5.860 6.000 5.666 1.00 0.00 H new ATOM 0 HA LEU C 36 -5.970 3.060 5.208 1.00 0.00 H new ATOM 0 HB2 LEU C 36 -5.908 4.614 3.200 1.00 0.00 H new ATOM 0 HB3 LEU C 36 -4.320 5.117 3.744 1.00 0.00 H new ATOM 0 HG LEU C 36 -4.261 3.448 1.934 1.00 0.00 H new ATOM 0 HD11 LEU C 36 -2.598 1.925 2.920 1.00 0.00 H new ATOM 0 HD12 LEU C 36 -2.347 3.615 3.419 1.00 0.00 H new ATOM 0 HD13 LEU C 36 -3.091 2.456 4.546 1.00 0.00 H new ATOM 0 HD21 LEU C 36 -4.827 1.085 2.431 1.00 0.00 H new ATOM 0 HD22 LEU C 36 -5.457 1.585 4.018 1.00 0.00 H new ATOM 0 HD23 LEU C 36 -6.250 2.149 2.528 1.00 0.00 H new ATOM 553 N LYS C 37 -4.188 2.969 6.996 1.00 0.00 N ATOM 554 CA LYS C 37 -3.083 2.841 7.924 1.00 0.00 C ATOM 555 C LYS C 37 -2.220 1.675 7.482 1.00 0.00 C ATOM 556 O LYS C 37 -2.724 0.600 7.150 1.00 0.00 O ATOM 557 CB LYS C 37 -3.575 2.653 9.366 1.00 0.00 C ATOM 558 CG LYS C 37 -4.371 1.381 9.614 1.00 0.00 C ATOM 559 CD LYS C 37 -4.798 1.287 11.069 1.00 0.00 C ATOM 560 CE LYS C 37 -5.478 -0.035 11.380 1.00 0.00 C ATOM 561 NZ LYS C 37 -5.910 -0.111 12.802 1.00 0.00 N1+ ATOM 0 H LYS C 37 -4.912 2.257 7.093 1.00 0.00 H new ATOM 0 HA LYS C 37 -2.495 3.759 7.916 1.00 0.00 H new ATOM 0 HB2 LYS C 37 -2.712 2.659 10.032 1.00 0.00 H new ATOM 0 HB3 LYS C 37 -4.193 3.509 9.637 1.00 0.00 H new ATOM 0 HG2 LYS C 37 -5.251 1.366 8.970 1.00 0.00 H new ATOM 0 HG3 LYS C 37 -3.768 0.512 9.350 1.00 0.00 H new ATOM 0 HD2 LYS C 37 -3.925 1.405 11.711 1.00 0.00 H new ATOM 0 HD3 LYS C 37 -5.477 2.107 11.301 1.00 0.00 H new ATOM 0 HE2 LYS C 37 -6.344 -0.161 10.730 1.00 0.00 H new ATOM 0 HE3 LYS C 37 -4.794 -0.856 11.163 1.00 0.00 H new ATOM 0 HZ1 LYS C 37 -6.370 -1.027 12.977 1.00 0.00 H new ATOM 0 HZ2 LYS C 37 -5.081 -0.016 13.422 1.00 0.00 H new ATOM 0 HZ3 LYS C 37 -6.582 0.657 13.002 1.00 0.00 H new ATOM 575 N ALA C 38 -0.931 1.897 7.453 1.00 0.00 N ATOM 576 CA ALA C 38 -0.005 0.928 6.910 1.00 0.00 C ATOM 577 C ALA C 38 1.333 1.058 7.591 1.00 0.00 C ATOM 578 O ALA C 38 1.971 2.105 7.516 1.00 0.00 O ATOM 579 CB ALA C 38 0.144 1.126 5.411 1.00 0.00 C ATOM 0 H ALA C 38 -0.492 2.749 7.802 1.00 0.00 H new ATOM 0 HA ALA C 38 -0.395 -0.074 7.090 1.00 0.00 H new ATOM 0 HB1 ALA C 38 0.844 0.390 5.015 1.00 0.00 H new ATOM 0 HB2 ALA C 38 -0.826 1.001 4.929 1.00 0.00 H new ATOM 0 HB3 ALA C 38 0.521 2.129 5.212 1.00 0.00 H new ATOM 585 N THR C 39 1.752 0.004 8.253 1.00 0.00 N ATOM 586 CA THR C 39 3.010 0.019 8.955 1.00 0.00 C ATOM 587 C THR C 39 4.080 -0.683 8.139 1.00 0.00 C ATOM 588 O THR C 39 3.794 -1.614 7.383 1.00 0.00 O ATOM 589 CB THR C 39 2.881 -0.640 10.337 1.00 0.00 C ATOM 590 OG1 THR C 39 2.397 -1.976 10.195 1.00 0.00 O ATOM 591 CG2 THR C 39 1.938 0.156 11.225 1.00 0.00 C ATOM 0 H THR C 39 1.238 -0.874 8.319 1.00 0.00 H new ATOM 0 HA THR C 39 3.301 1.059 9.100 1.00 0.00 H new ATOM 0 HB THR C 39 3.866 -0.659 10.804 1.00 0.00 H new ATOM 0 HG1 THR C 39 2.319 -2.391 11.079 1.00 0.00 H new ATOM 0 HG21 THR C 39 1.860 -0.327 12.199 1.00 0.00 H new ATOM 0 HG22 THR C 39 2.324 1.167 11.352 1.00 0.00 H new ATOM 0 HG23 THR C 39 0.952 0.200 10.762 1.00 0.00 H new ATOM 599 N SER C 40 5.302 -0.225 8.290 1.00 0.00 N ATOM 600 CA SER C 40 6.423 -0.791 7.577 1.00 0.00 C ATOM 601 C SER C 40 7.299 -1.555 8.543 1.00 0.00 C ATOM 602 O SER C 40 7.826 -0.987 9.501 1.00 0.00 O ATOM 603 CB SER C 40 7.222 0.318 6.906 1.00 0.00 C ATOM 604 OG SER C 40 7.649 1.280 7.856 1.00 0.00 O ATOM 0 H SER C 40 5.546 0.548 8.909 1.00 0.00 H new ATOM 0 HA SER C 40 6.059 -1.473 6.809 1.00 0.00 H new ATOM 0 HB2 SER C 40 8.088 -0.108 6.399 1.00 0.00 H new ATOM 0 HB3 SER C 40 6.612 0.801 6.143 1.00 0.00 H new ATOM 0 HG SER C 40 7.889 0.830 8.693 1.00 0.00 H new ATOM 610 N SER C 41 7.442 -2.839 8.307 1.00 0.00 N ATOM 611 CA SER C 41 8.262 -3.657 9.166 1.00 0.00 C ATOM 612 C SER C 41 9.669 -3.771 8.588 1.00 0.00 C ATOM 613 O SER C 41 9.950 -3.225 7.515 1.00 0.00 O ATOM 614 CB SER C 41 7.614 -5.027 9.374 1.00 0.00 C ATOM 615 OG SER C 41 8.371 -5.842 10.252 1.00 0.00 O ATOM 0 H SER C 41 7.003 -3.336 7.532 1.00 0.00 H new ATOM 0 HA SER C 41 8.344 -3.186 10.146 1.00 0.00 H new ATOM 0 HB2 SER C 41 6.609 -4.896 9.776 1.00 0.00 H new ATOM 0 HB3 SER C 41 7.510 -5.529 8.412 1.00 0.00 H new ATOM 0 HG SER C 41 7.925 -6.708 10.361 1.00 0.00 H new ATOM 621 N ASN C 42 10.536 -4.479 9.304 1.00 0.00 N ATOM 622 CA ASN C 42 11.967 -4.511 9.012 1.00 0.00 C ATOM 623 C ASN C 42 12.555 -3.123 9.181 1.00 0.00 C ATOM 624 O ASN C 42 13.398 -2.694 8.402 1.00 0.00 O ATOM 625 CB ASN C 42 12.262 -5.057 7.610 1.00 0.00 C ATOM 626 CG ASN C 42 13.360 -6.108 7.616 1.00 0.00 C ATOM 627 OD1 ASN C 42 14.123 -6.232 6.658 1.00 0.00 O ATOM 628 ND2 ASN C 42 13.438 -6.888 8.683 1.00 0.00 N ATOM 0 H ASN C 42 10.267 -5.049 10.106 1.00 0.00 H new ATOM 0 HA ASN C 42 12.436 -5.193 9.721 1.00 0.00 H new ATOM 0 HB2 ASN C 42 11.352 -5.488 7.192 1.00 0.00 H new ATOM 0 HB3 ASN C 42 12.554 -4.235 6.957 1.00 0.00 H new ATOM 0 HD21 ASN C 42 14.147 -7.620 8.729 1.00 0.00 H new ATOM 0 HD22 ASN C 42 12.789 -6.757 9.459 1.00 0.00 H new ATOM 635 N ALA C 43 12.053 -2.416 10.196 1.00 0.00 N ATOM 636 CA ALA C 43 12.570 -1.107 10.590 1.00 0.00 C ATOM 637 C ALA C 43 12.530 -0.092 9.449 1.00 0.00 C ATOM 638 O ALA C 43 13.299 0.867 9.431 1.00 0.00 O ATOM 639 CB ALA C 43 13.979 -1.245 11.137 1.00 0.00 C ATOM 0 H ALA C 43 11.273 -2.738 10.769 1.00 0.00 H new ATOM 0 HA ALA C 43 11.916 -0.723 11.373 1.00 0.00 H new ATOM 0 HB1 ALA C 43 14.354 -0.264 11.427 1.00 0.00 H new ATOM 0 HB2 ALA C 43 13.969 -1.902 12.007 1.00 0.00 H new ATOM 0 HB3 ALA C 43 14.627 -1.669 10.370 1.00 0.00 H new ATOM 645 N GLY C 44 11.632 -0.303 8.499 1.00 0.00 N ATOM 646 CA GLY C 44 11.478 0.639 7.412 1.00 0.00 C ATOM 647 C GLY C 44 12.542 0.490 6.340 1.00 0.00 C ATOM 648 O GLY C 44 12.778 1.421 5.567 1.00 0.00 O ATOM 0 H GLY C 44 11.008 -1.109 8.462 1.00 0.00 H new ATOM 0 HA2 GLY C 44 10.495 0.506 6.961 1.00 0.00 H new ATOM 0 HA3 GLY C 44 11.512 1.653 7.810 1.00 0.00 H new ATOM 652 N TYR C 45 13.206 -0.663 6.303 1.00 0.00 N ATOM 653 CA TYR C 45 14.126 -0.972 5.213 1.00 0.00 C ATOM 654 C TYR C 45 13.350 -1.091 3.912 1.00 0.00 C ATOM 655 O TYR C 45 12.129 -1.211 3.928 1.00 0.00 O ATOM 656 CB TYR C 45 14.886 -2.276 5.482 1.00 0.00 C ATOM 657 CG TYR C 45 16.161 -2.101 6.286 1.00 0.00 C ATOM 658 CD1 TYR C 45 16.125 -2.006 7.671 1.00 0.00 C ATOM 659 CD2 TYR C 45 17.403 -2.038 5.659 1.00 0.00 C ATOM 660 CE1 TYR C 45 17.282 -1.854 8.408 1.00 0.00 C ATOM 661 CE2 TYR C 45 18.565 -1.885 6.393 1.00 0.00 C ATOM 662 CZ TYR C 45 18.499 -1.793 7.766 1.00 0.00 C ATOM 663 OH TYR C 45 19.653 -1.647 8.503 1.00 0.00 O ATOM 0 H TYR C 45 13.125 -1.394 7.010 1.00 0.00 H new ATOM 0 HA TYR C 45 14.853 -0.164 5.138 1.00 0.00 H new ATOM 0 HB2 TYR C 45 14.227 -2.964 6.012 1.00 0.00 H new ATOM 0 HB3 TYR C 45 15.133 -2.742 4.528 1.00 0.00 H new ATOM 0 HD1 TYR C 45 15.174 -2.052 8.181 1.00 0.00 H new ATOM 0 HD2 TYR C 45 17.460 -2.110 4.583 1.00 0.00 H new ATOM 0 HE1 TYR C 45 17.233 -1.783 9.485 1.00 0.00 H new ATOM 0 HE2 TYR C 45 19.521 -1.838 5.892 1.00 0.00 H new ATOM 0 HH TYR C 45 20.425 -1.622 7.900 1.00 0.00 H new ATOM 673 N GLY C 46 14.053 -1.051 2.796 1.00 0.00 N ATOM 674 CA GLY C 46 13.398 -1.144 1.508 1.00 0.00 C ATOM 675 C GLY C 46 13.347 -2.572 0.993 1.00 0.00 C ATOM 676 O GLY C 46 13.477 -3.520 1.770 1.00 0.00 O ATOM 0 H GLY C 46 15.068 -0.956 2.756 1.00 0.00 H new ATOM 0 HA2 GLY C 46 12.384 -0.752 1.589 1.00 0.00 H new ATOM 0 HA3 GLY C 46 13.925 -0.518 0.788 1.00 0.00 H new ATOM 680 N ILE C 47 13.146 -2.719 -0.316 1.00 0.00 N ATOM 681 CA ILE C 47 13.127 -4.034 -0.972 1.00 0.00 C ATOM 682 C ILE C 47 14.368 -4.846 -0.661 1.00 0.00 C ATOM 683 O ILE C 47 14.307 -5.892 -0.021 1.00 0.00 O ATOM 684 CB ILE C 47 13.081 -3.941 -2.515 1.00 0.00 C ATOM 685 CG1 ILE C 47 13.259 -2.508 -3.025 1.00 0.00 C ATOM 686 CG2 ILE C 47 11.808 -4.549 -3.062 1.00 0.00 C ATOM 687 CD1 ILE C 47 14.652 -1.952 -2.836 1.00 0.00 C ATOM 0 H ILE C 47 12.992 -1.937 -0.952 1.00 0.00 H new ATOM 0 HA ILE C 47 12.225 -4.505 -0.583 1.00 0.00 H new ATOM 0 HB ILE C 47 13.928 -4.518 -2.885 1.00 0.00 H new ATOM 0 HG12 ILE C 47 13.009 -2.478 -4.085 1.00 0.00 H new ATOM 0 HG13 ILE C 47 12.549 -1.860 -2.511 1.00 0.00 H new ATOM 0 HG21 ILE C 47 11.804 -4.469 -4.149 1.00 0.00 H new ATOM 0 HG22 ILE C 47 11.754 -5.599 -2.775 1.00 0.00 H new ATOM 0 HG23 ILE C 47 10.947 -4.018 -2.656 1.00 0.00 H new ATOM 0 HD11 ILE C 47 14.693 -0.934 -3.223 1.00 0.00 H new ATOM 0 HD12 ILE C 47 14.901 -1.947 -1.775 1.00 0.00 H new ATOM 0 HD13 ILE C 47 15.368 -2.574 -3.373 1.00 0.00 H new ATOM 699 N SER C 48 15.481 -4.341 -1.159 1.00 0.00 N ATOM 700 CA SER C 48 16.744 -5.036 -1.142 1.00 0.00 C ATOM 701 C SER C 48 17.808 -4.148 -1.778 1.00 0.00 C ATOM 702 O SER C 48 18.887 -3.951 -1.219 1.00 0.00 O ATOM 703 CB SER C 48 16.632 -6.361 -1.904 1.00 0.00 C ATOM 704 OG SER C 48 16.086 -6.158 -3.202 1.00 0.00 O ATOM 0 H SER C 48 15.528 -3.419 -1.593 1.00 0.00 H new ATOM 0 HA SER C 48 17.024 -5.258 -0.112 1.00 0.00 H new ATOM 0 HB2 SER C 48 17.617 -6.821 -1.988 1.00 0.00 H new ATOM 0 HB3 SER C 48 16.003 -7.054 -1.345 1.00 0.00 H new ATOM 0 HG SER C 48 16.026 -7.017 -3.670 1.00 0.00 H new ATOM 710 N TYR C 49 17.475 -3.594 -2.948 1.00 0.00 N ATOM 711 CA TYR C 49 18.396 -2.734 -3.686 1.00 0.00 C ATOM 712 C TYR C 49 17.723 -2.049 -4.889 1.00 0.00 C ATOM 713 O TYR C 49 18.013 -0.893 -5.193 1.00 0.00 O ATOM 714 CB TYR C 49 19.590 -3.560 -4.176 1.00 0.00 C ATOM 715 CG TYR C 49 20.547 -2.783 -5.072 1.00 0.00 C ATOM 716 CD1 TYR C 49 21.333 -1.752 -4.556 1.00 0.00 C ATOM 717 CD2 TYR C 49 20.664 -3.070 -6.436 1.00 0.00 C ATOM 718 CE1 TYR C 49 22.195 -1.038 -5.364 1.00 0.00 C ATOM 719 CE2 TYR C 49 21.529 -2.357 -7.243 1.00 0.00 C ATOM 720 CZ TYR C 49 22.289 -1.344 -6.703 1.00 0.00 C ATOM 721 OH TYR C 49 23.146 -0.628 -7.507 1.00 0.00 O ATOM 0 H TYR C 49 16.572 -3.728 -3.402 1.00 0.00 H new ATOM 0 HA TYR C 49 18.727 -1.951 -3.003 1.00 0.00 H new ATOM 0 HB2 TYR C 49 20.139 -3.936 -3.313 1.00 0.00 H new ATOM 0 HB3 TYR C 49 19.220 -4.428 -4.721 1.00 0.00 H new ATOM 0 HD1 TYR C 49 21.266 -1.508 -3.506 1.00 0.00 H new ATOM 0 HD2 TYR C 49 20.068 -3.862 -6.865 1.00 0.00 H new ATOM 0 HE1 TYR C 49 22.794 -0.242 -4.947 1.00 0.00 H new ATOM 0 HE2 TYR C 49 21.609 -2.593 -8.294 1.00 0.00 H new ATOM 0 HH TYR C 49 23.095 -0.969 -8.424 1.00 0.00 H new ATOM 731 N GLU C 50 16.814 -2.755 -5.551 1.00 0.00 N ATOM 732 CA GLU C 50 16.331 -2.354 -6.874 1.00 0.00 C ATOM 733 C GLU C 50 15.115 -1.438 -6.811 1.00 0.00 C ATOM 734 O GLU C 50 14.421 -1.366 -5.800 1.00 0.00 O ATOM 735 CB GLU C 50 15.993 -3.617 -7.666 1.00 0.00 C ATOM 736 CG GLU C 50 14.945 -4.486 -6.983 1.00 0.00 C ATOM 737 CD GLU C 50 14.793 -5.847 -7.627 1.00 0.00 C ATOM 738 OE1 GLU C 50 14.827 -6.859 -6.897 1.00 0.00 O ATOM 739 OE2 GLU C 50 14.640 -5.914 -8.863 1.00 0.00 O1- ATOM 0 H GLU C 50 16.393 -3.613 -5.194 1.00 0.00 H new ATOM 0 HA GLU C 50 17.120 -1.783 -7.363 1.00 0.00 H new ATOM 0 HB2 GLU C 50 15.633 -3.333 -8.655 1.00 0.00 H new ATOM 0 HB3 GLU C 50 16.902 -4.201 -7.813 1.00 0.00 H new ATOM 0 HG2 GLU C 50 15.215 -4.614 -5.935 1.00 0.00 H new ATOM 0 HG3 GLU C 50 13.985 -3.971 -7.004 1.00 0.00 H new ATOM 746 N ASP C 51 14.866 -0.736 -7.911 1.00 0.00 N ATOM 747 CA ASP C 51 13.723 0.159 -7.998 1.00 0.00 C ATOM 748 C ASP C 51 12.543 -0.554 -8.625 1.00 0.00 C ATOM 749 O ASP C 51 12.611 -1.036 -9.757 1.00 0.00 O ATOM 750 CB ASP C 51 14.053 1.442 -8.786 1.00 0.00 C ATOM 751 CG ASP C 51 14.291 1.222 -10.268 1.00 0.00 C ATOM 752 OD1 ASP C 51 15.362 0.694 -10.634 1.00 0.00 O ATOM 753 OD2 ASP C 51 13.418 1.601 -11.075 1.00 0.00 O1- ATOM 0 H ASP C 51 15.441 -0.771 -8.753 1.00 0.00 H new ATOM 0 HA ASP C 51 13.464 0.457 -6.982 1.00 0.00 H new ATOM 0 HB2 ASP C 51 13.234 2.150 -8.663 1.00 0.00 H new ATOM 0 HB3 ASP C 51 14.941 1.902 -8.352 1.00 0.00 H new ATOM 758 N LYS C 52 11.477 -0.665 -7.860 1.00 0.00 N ATOM 759 CA LYS C 52 10.255 -1.253 -8.352 1.00 0.00 C ATOM 760 C LYS C 52 9.191 -0.175 -8.446 1.00 0.00 C ATOM 761 O LYS C 52 9.267 0.826 -7.738 1.00 0.00 O ATOM 762 CB LYS C 52 9.813 -2.375 -7.425 1.00 0.00 C ATOM 763 CG LYS C 52 10.880 -3.423 -7.162 1.00 0.00 C ATOM 764 CD LYS C 52 11.525 -3.916 -8.446 1.00 0.00 C ATOM 765 CE LYS C 52 10.515 -4.604 -9.355 1.00 0.00 C ATOM 766 NZ LYS C 52 9.965 -5.841 -8.738 1.00 0.00 N1+ ATOM 0 H LYS C 52 11.435 -0.353 -6.890 1.00 0.00 H new ATOM 0 HA LYS C 52 10.416 -1.677 -9.343 1.00 0.00 H new ATOM 0 HB2 LYS C 52 9.501 -1.944 -6.474 1.00 0.00 H new ATOM 0 HB3 LYS C 52 8.939 -2.863 -7.855 1.00 0.00 H new ATOM 0 HG2 LYS C 52 11.646 -3.004 -6.510 1.00 0.00 H new ATOM 0 HG3 LYS C 52 10.437 -4.266 -6.632 1.00 0.00 H new ATOM 0 HD2 LYS C 52 11.976 -3.075 -8.973 1.00 0.00 H new ATOM 0 HD3 LYS C 52 12.330 -4.610 -8.206 1.00 0.00 H new ATOM 0 HE2 LYS C 52 9.699 -3.916 -9.578 1.00 0.00 H new ATOM 0 HE3 LYS C 52 10.991 -4.852 -10.304 1.00 0.00 H new ATOM 0 HZ1 LYS C 52 9.430 -6.376 -9.451 1.00 0.00 H new ATOM 0 HZ2 LYS C 52 10.746 -6.427 -8.379 1.00 0.00 H new ATOM 0 HZ3 LYS C 52 9.334 -5.586 -7.951 1.00 0.00 H new ATOM 780 N ASN C 53 8.213 -0.380 -9.310 1.00 0.00 N ATOM 781 CA ASN C 53 7.249 0.671 -9.632 1.00 0.00 C ATOM 782 C ASN C 53 5.890 0.409 -8.991 1.00 0.00 C ATOM 783 O ASN C 53 5.131 -0.454 -9.430 1.00 0.00 O ATOM 784 CB ASN C 53 7.115 0.828 -11.155 1.00 0.00 C ATOM 785 CG ASN C 53 7.062 -0.500 -11.893 1.00 0.00 C ATOM 786 OD1 ASN C 53 5.872 -1.051 -12.050 1.00 0.00 O flip ATOM 787 ND2 ASN C 53 8.091 -1.028 -12.317 1.00 0.00 N flip ATOM 0 H ASN C 53 8.061 -1.260 -9.803 1.00 0.00 H new ATOM 0 HA ASN C 53 7.627 1.605 -9.217 1.00 0.00 H new ATOM 0 HB2 ASN C 53 6.211 1.396 -11.377 1.00 0.00 H new ATOM 0 HB3 ASN C 53 7.957 1.410 -11.529 1.00 0.00 H new ATOM 0 HD21 ASN C 53 8.993 -0.573 -12.177 1.00 0.00 H new ATOM 0 HD22 ASN C 53 8.041 -1.921 -12.808 1.00 0.00 H new ATOM 794 N TRP C 54 5.586 1.179 -7.958 1.00 0.00 N ATOM 795 CA TRP C 54 4.379 0.990 -7.173 1.00 0.00 C ATOM 796 C TRP C 54 3.297 2.020 -7.494 1.00 0.00 C ATOM 797 O TRP C 54 3.591 3.057 -8.083 1.00 0.00 O ATOM 798 CB TRP C 54 4.744 1.107 -5.715 1.00 0.00 C ATOM 799 CG TRP C 54 4.387 -0.103 -4.957 1.00 0.00 C ATOM 800 CD1 TRP C 54 5.186 -1.148 -4.642 1.00 0.00 C ATOM 801 CD2 TRP C 54 3.114 -0.388 -4.442 1.00 0.00 C ATOM 802 NE1 TRP C 54 4.468 -2.085 -3.942 1.00 0.00 N ATOM 803 CE2 TRP C 54 3.182 -1.631 -3.808 1.00 0.00 C ATOM 804 CE3 TRP C 54 1.920 0.305 -4.461 1.00 0.00 C ATOM 805 CZ2 TRP C 54 2.080 -2.195 -3.192 1.00 0.00 C ATOM 806 CZ3 TRP C 54 0.832 -0.245 -3.859 1.00 0.00 C ATOM 807 CH2 TRP C 54 0.916 -1.489 -3.230 1.00 0.00 C ATOM 0 H TRP C 54 6.170 1.953 -7.641 1.00 0.00 H new ATOM 0 HA TRP C 54 3.972 0.008 -7.414 1.00 0.00 H new ATOM 0 HB2 TRP C 54 5.815 1.289 -5.623 1.00 0.00 H new ATOM 0 HB3 TRP C 54 4.236 1.969 -5.282 1.00 0.00 H new ATOM 0 HD1 TRP C 54 6.231 -1.232 -4.902 1.00 0.00 H new ATOM 0 HE1 TRP C 54 4.830 -2.968 -3.583 1.00 0.00 H new ATOM 0 HE3 TRP C 54 1.851 1.268 -4.946 1.00 0.00 H new ATOM 0 HZ2 TRP C 54 2.140 -3.155 -2.701 1.00 0.00 H new ATOM 0 HZ3 TRP C 54 -0.108 0.286 -3.867 1.00 0.00 H new ATOM 0 HH2 TRP C 54 0.035 -1.902 -2.761 1.00 0.00 H new ATOM 818 N GLY C 55 2.045 1.754 -7.080 1.00 0.00 N ATOM 819 CA GLY C 55 0.993 2.713 -7.325 1.00 0.00 C ATOM 820 C GLY C 55 -0.219 2.574 -6.422 1.00 0.00 C ATOM 821 O GLY C 55 -0.643 1.472 -6.092 1.00 0.00 O ATOM 0 H GLY C 55 1.758 0.906 -6.591 1.00 0.00 H new ATOM 0 HA2 GLY C 55 1.402 3.717 -7.209 1.00 0.00 H new ATOM 0 HA3 GLY C 55 0.669 2.619 -8.361 1.00 0.00 H new ATOM 825 N ILE C 56 -0.778 3.707 -6.022 1.00 0.00 N ATOM 826 CA ILE C 56 -2.044 3.720 -5.300 1.00 0.00 C ATOM 827 C ILE C 56 -3.091 4.471 -6.103 1.00 0.00 C ATOM 828 O ILE C 56 -2.886 5.634 -6.465 1.00 0.00 O ATOM 829 CB ILE C 56 -1.959 4.400 -3.913 1.00 0.00 C ATOM 830 CG1 ILE C 56 -0.968 3.705 -2.992 1.00 0.00 C ATOM 831 CG2 ILE C 56 -3.332 4.401 -3.251 1.00 0.00 C ATOM 832 CD1 ILE C 56 0.489 3.939 -3.327 1.00 0.00 C ATOM 0 H ILE C 56 -0.375 4.630 -6.185 1.00 0.00 H new ATOM 0 HA ILE C 56 -2.309 2.673 -5.155 1.00 0.00 H new ATOM 0 HB ILE C 56 -1.613 5.420 -4.076 1.00 0.00 H new ATOM 0 HG12 ILE C 56 -1.149 4.039 -1.970 1.00 0.00 H new ATOM 0 HG13 ILE C 56 -1.163 2.633 -3.016 1.00 0.00 H new ATOM 0 HG21 ILE C 56 -3.265 4.881 -2.275 1.00 0.00 H new ATOM 0 HG22 ILE C 56 -4.037 4.948 -3.877 1.00 0.00 H new ATOM 0 HG23 ILE C 56 -3.677 3.374 -3.127 1.00 0.00 H new ATOM 0 HD11 ILE C 56 1.117 3.403 -2.615 1.00 0.00 H new ATOM 0 HD12 ILE C 56 0.693 3.577 -4.335 1.00 0.00 H new ATOM 0 HD13 ILE C 56 0.708 5.005 -3.273 1.00 0.00 H new ATOM 844 N PHE C 57 -4.207 3.822 -6.374 1.00 0.00 N ATOM 845 CA PHE C 57 -5.320 4.487 -7.021 1.00 0.00 C ATOM 846 C PHE C 57 -6.533 4.443 -6.105 1.00 0.00 C ATOM 847 O PHE C 57 -6.750 3.463 -5.403 1.00 0.00 O ATOM 848 CB PHE C 57 -5.678 3.834 -8.365 1.00 0.00 C ATOM 849 CG PHE C 57 -4.502 3.371 -9.176 1.00 0.00 C ATOM 850 CD1 PHE C 57 -3.987 2.095 -9.006 1.00 0.00 C ATOM 851 CD2 PHE C 57 -3.922 4.202 -10.116 1.00 0.00 C ATOM 852 CE1 PHE C 57 -2.915 1.660 -9.758 1.00 0.00 C ATOM 853 CE2 PHE C 57 -2.848 3.772 -10.870 1.00 0.00 C ATOM 854 CZ PHE C 57 -2.345 2.500 -10.691 1.00 0.00 C ATOM 0 H PHE C 57 -4.366 2.838 -6.157 1.00 0.00 H new ATOM 0 HA PHE C 57 -5.024 5.517 -7.218 1.00 0.00 H new ATOM 0 HB2 PHE C 57 -6.329 2.980 -8.176 1.00 0.00 H new ATOM 0 HB3 PHE C 57 -6.251 4.547 -8.957 1.00 0.00 H new ATOM 0 HD1 PHE C 57 -4.430 1.434 -8.276 1.00 0.00 H new ATOM 0 HD2 PHE C 57 -4.313 5.198 -10.262 1.00 0.00 H new ATOM 0 HE1 PHE C 57 -2.523 0.664 -9.616 1.00 0.00 H new ATOM 0 HE2 PHE C 57 -2.402 4.431 -11.600 1.00 0.00 H new ATOM 0 HZ PHE C 57 -1.506 2.163 -11.281 1.00 0.00 H new ATOM 864 N VAL C 58 -7.295 5.514 -6.076 1.00 0.00 N ATOM 865 CA VAL C 58 -8.571 5.509 -5.388 1.00 0.00 C ATOM 866 C VAL C 58 -9.649 5.949 -6.353 1.00 0.00 C ATOM 867 O VAL C 58 -9.637 7.086 -6.828 1.00 0.00 O ATOM 868 CB VAL C 58 -8.589 6.413 -4.136 1.00 0.00 C ATOM 869 CG1 VAL C 58 -9.976 6.435 -3.512 1.00 0.00 C ATOM 870 CG2 VAL C 58 -7.568 5.939 -3.114 1.00 0.00 C ATOM 0 H VAL C 58 -7.055 6.400 -6.520 1.00 0.00 H new ATOM 0 HA VAL C 58 -8.751 4.492 -5.039 1.00 0.00 H new ATOM 0 HB VAL C 58 -8.327 7.424 -4.447 1.00 0.00 H new ATOM 0 HG11 VAL C 58 -9.969 7.077 -2.631 1.00 0.00 H new ATOM 0 HG12 VAL C 58 -10.694 6.820 -4.236 1.00 0.00 H new ATOM 0 HG13 VAL C 58 -10.260 5.424 -3.221 1.00 0.00 H new ATOM 0 HG21 VAL C 58 -7.598 6.590 -2.241 1.00 0.00 H new ATOM 0 HG22 VAL C 58 -7.801 4.918 -2.813 1.00 0.00 H new ATOM 0 HG23 VAL C 58 -6.571 5.969 -3.555 1.00 0.00 H new ATOM 880 N ASN C 59 -10.557 5.031 -6.658 1.00 0.00 N ATOM 881 CA ASN C 59 -11.618 5.283 -7.629 1.00 0.00 C ATOM 882 C ASN C 59 -11.033 5.535 -9.018 1.00 0.00 C ATOM 883 O ASN C 59 -11.531 6.373 -9.773 1.00 0.00 O ATOM 884 CB ASN C 59 -12.488 6.471 -7.198 1.00 0.00 C ATOM 885 CG ASN C 59 -13.127 6.262 -5.839 1.00 0.00 C ATOM 886 OD1 ASN C 59 -13.425 5.134 -5.445 1.00 0.00 O ATOM 887 ND2 ASN C 59 -13.335 7.347 -5.110 1.00 0.00 N ATOM 0 H ASN C 59 -10.581 4.099 -6.245 1.00 0.00 H new ATOM 0 HA ASN C 59 -12.247 4.394 -7.672 1.00 0.00 H new ATOM 0 HB2 ASN C 59 -11.878 7.374 -7.174 1.00 0.00 H new ATOM 0 HB3 ASN C 59 -13.268 6.634 -7.941 1.00 0.00 H new ATOM 0 HD21 ASN C 59 -13.757 7.267 -4.185 1.00 0.00 H new ATOM 0 HD22 ASN C 59 -13.074 8.263 -5.473 1.00 0.00 H new ATOM 894 N GLY C 60 -9.957 4.820 -9.336 1.00 0.00 N ATOM 895 CA GLY C 60 -9.395 4.871 -10.673 1.00 0.00 C ATOM 896 C GLY C 60 -8.457 6.042 -10.915 1.00 0.00 C ATOM 897 O GLY C 60 -8.224 6.418 -12.064 1.00 0.00 O ATOM 0 H GLY C 60 -9.464 4.205 -8.689 1.00 0.00 H new ATOM 0 HA2 GLY C 60 -8.855 3.943 -10.863 1.00 0.00 H new ATOM 0 HA3 GLY C 60 -10.210 4.919 -11.395 1.00 0.00 H new ATOM 901 N GLU C 61 -7.906 6.624 -9.859 1.00 0.00 N ATOM 902 CA GLU C 61 -6.951 7.713 -10.030 1.00 0.00 C ATOM 903 C GLU C 61 -5.805 7.593 -9.033 1.00 0.00 C ATOM 904 O GLU C 61 -5.997 7.179 -7.890 1.00 0.00 O ATOM 905 CB GLU C 61 -7.639 9.072 -9.885 1.00 0.00 C ATOM 906 CG GLU C 61 -7.985 9.437 -8.456 1.00 0.00 C ATOM 907 CD GLU C 61 -8.819 10.693 -8.373 1.00 0.00 C ATOM 908 OE1 GLU C 61 -10.062 10.590 -8.397 1.00 0.00 O ATOM 909 OE2 GLU C 61 -8.234 11.793 -8.297 1.00 0.00 O1- ATOM 0 H GLU C 61 -8.098 6.367 -8.891 1.00 0.00 H new ATOM 0 HA GLU C 61 -6.541 7.640 -11.037 1.00 0.00 H new ATOM 0 HB2 GLU C 61 -6.989 9.843 -10.299 1.00 0.00 H new ATOM 0 HB3 GLU C 61 -8.552 9.071 -10.480 1.00 0.00 H new ATOM 0 HG2 GLU C 61 -8.527 8.612 -7.993 1.00 0.00 H new ATOM 0 HG3 GLU C 61 -7.066 9.575 -7.886 1.00 0.00 H new ATOM 916 N LYS C 62 -4.617 7.957 -9.484 1.00 0.00 N ATOM 917 CA LYS C 62 -3.410 7.860 -8.677 1.00 0.00 C ATOM 918 C LYS C 62 -3.410 8.887 -7.552 1.00 0.00 C ATOM 919 O LYS C 62 -3.399 10.090 -7.804 1.00 0.00 O ATOM 920 CB LYS C 62 -2.191 8.090 -9.564 1.00 0.00 C ATOM 921 CG LYS C 62 -2.000 7.023 -10.629 1.00 0.00 C ATOM 922 CD LYS C 62 -0.885 7.379 -11.602 1.00 0.00 C ATOM 923 CE LYS C 62 0.457 7.521 -10.905 1.00 0.00 C ATOM 924 NZ LYS C 62 1.552 7.832 -11.862 1.00 0.00 N1+ ATOM 0 H LYS C 62 -4.460 8.329 -10.421 1.00 0.00 H new ATOM 0 HA LYS C 62 -3.376 6.865 -8.233 1.00 0.00 H new ATOM 0 HB2 LYS C 62 -2.284 9.062 -10.049 1.00 0.00 H new ATOM 0 HB3 LYS C 62 -1.300 8.130 -8.938 1.00 0.00 H new ATOM 0 HG2 LYS C 62 -1.773 6.070 -10.151 1.00 0.00 H new ATOM 0 HG3 LYS C 62 -2.932 6.889 -11.179 1.00 0.00 H new ATOM 0 HD2 LYS C 62 -0.815 6.609 -12.370 1.00 0.00 H new ATOM 0 HD3 LYS C 62 -1.131 8.312 -12.109 1.00 0.00 H new ATOM 0 HE2 LYS C 62 0.395 8.311 -10.156 1.00 0.00 H new ATOM 0 HE3 LYS C 62 0.690 6.597 -10.375 1.00 0.00 H new ATOM 0 HZ1 LYS C 62 2.450 7.921 -11.345 1.00 0.00 H new ATOM 0 HZ2 LYS C 62 1.629 7.067 -12.562 1.00 0.00 H new ATOM 0 HZ3 LYS C 62 1.343 8.727 -12.349 1.00 0.00 H new ATOM 938 N VAL C 63 -3.420 8.415 -6.313 1.00 0.00 N ATOM 939 CA VAL C 63 -3.330 9.317 -5.174 1.00 0.00 C ATOM 940 C VAL C 63 -1.887 9.405 -4.694 1.00 0.00 C ATOM 941 O VAL C 63 -1.459 10.431 -4.164 1.00 0.00 O ATOM 942 CB VAL C 63 -4.249 8.897 -4.001 1.00 0.00 C ATOM 943 CG1 VAL C 63 -5.630 8.535 -4.508 1.00 0.00 C ATOM 944 CG2 VAL C 63 -3.655 7.750 -3.204 1.00 0.00 C ATOM 0 H VAL C 63 -3.489 7.426 -6.073 1.00 0.00 H new ATOM 0 HA VAL C 63 -3.672 10.294 -5.515 1.00 0.00 H new ATOM 0 HB VAL C 63 -4.336 9.752 -3.331 1.00 0.00 H new ATOM 0 HG11 VAL C 63 -6.261 8.243 -3.668 1.00 0.00 H new ATOM 0 HG12 VAL C 63 -6.071 9.396 -5.010 1.00 0.00 H new ATOM 0 HG13 VAL C 63 -5.554 7.705 -5.211 1.00 0.00 H new ATOM 0 HG21 VAL C 63 -4.330 7.485 -2.390 1.00 0.00 H new ATOM 0 HG22 VAL C 63 -3.516 6.888 -3.856 1.00 0.00 H new ATOM 0 HG23 VAL C 63 -2.692 8.053 -2.793 1.00 0.00 H new ATOM 954 N TYR C 64 -1.136 8.322 -4.889 1.00 0.00 N ATOM 955 CA TYR C 64 0.272 8.297 -4.538 1.00 0.00 C ATOM 956 C TYR C 64 0.998 7.234 -5.364 1.00 0.00 C ATOM 957 O TYR C 64 0.383 6.281 -5.845 1.00 0.00 O ATOM 958 CB TYR C 64 0.435 8.027 -3.037 1.00 0.00 C ATOM 959 CG TYR C 64 1.847 8.218 -2.534 1.00 0.00 C ATOM 960 CD1 TYR C 64 2.385 9.490 -2.386 1.00 0.00 C ATOM 961 CD2 TYR C 64 2.642 7.128 -2.211 1.00 0.00 C ATOM 962 CE1 TYR C 64 3.678 9.668 -1.932 1.00 0.00 C ATOM 963 CE2 TYR C 64 3.933 7.298 -1.754 1.00 0.00 C ATOM 964 CZ TYR C 64 4.446 8.569 -1.617 1.00 0.00 C ATOM 965 OH TYR C 64 5.737 8.741 -1.173 1.00 0.00 O ATOM 0 H TYR C 64 -1.486 7.451 -5.289 1.00 0.00 H new ATOM 0 HA TYR C 64 0.715 9.268 -4.762 1.00 0.00 H new ATOM 0 HB2 TYR C 64 -0.231 8.689 -2.484 1.00 0.00 H new ATOM 0 HB3 TYR C 64 0.118 7.006 -2.824 1.00 0.00 H new ATOM 0 HD1 TYR C 64 1.783 10.353 -2.630 1.00 0.00 H new ATOM 0 HD2 TYR C 64 2.244 6.130 -2.319 1.00 0.00 H new ATOM 0 HE1 TYR C 64 4.084 10.663 -1.825 1.00 0.00 H new ATOM 0 HE2 TYR C 64 4.538 6.439 -1.505 1.00 0.00 H new ATOM 0 HH TYR C 64 6.141 7.866 -0.994 1.00 0.00 H new ATOM 975 N THR C 65 2.295 7.421 -5.551 1.00 0.00 N ATOM 976 CA THR C 65 3.123 6.484 -6.300 1.00 0.00 C ATOM 977 C THR C 65 4.549 6.513 -5.741 1.00 0.00 C ATOM 978 O THR C 65 5.002 7.561 -5.276 1.00 0.00 O ATOM 979 CB THR C 65 3.118 6.853 -7.801 1.00 0.00 C ATOM 980 OG1 THR C 65 1.788 6.721 -8.317 1.00 0.00 O ATOM 981 CG2 THR C 65 4.068 5.982 -8.611 1.00 0.00 C ATOM 0 H THR C 65 2.805 8.226 -5.188 1.00 0.00 H new ATOM 0 HA THR C 65 2.721 5.476 -6.197 1.00 0.00 H new ATOM 0 HB THR C 65 3.462 7.884 -7.891 1.00 0.00 H new ATOM 0 HG1 THR C 65 1.312 7.572 -8.216 1.00 0.00 H new ATOM 0 HG21 THR C 65 4.030 6.279 -9.659 1.00 0.00 H new ATOM 0 HG22 THR C 65 5.084 6.105 -8.236 1.00 0.00 H new ATOM 0 HG23 THR C 65 3.772 4.937 -8.519 1.00 0.00 H new ATOM 989 N PHE C 66 5.250 5.376 -5.757 1.00 0.00 N ATOM 990 CA PHE C 66 6.584 5.317 -5.166 1.00 0.00 C ATOM 991 C PHE C 66 7.381 4.131 -5.693 1.00 0.00 C ATOM 992 O PHE C 66 6.900 3.365 -6.529 1.00 0.00 O ATOM 993 CB PHE C 66 6.490 5.243 -3.634 1.00 0.00 C ATOM 994 CG PHE C 66 5.867 3.978 -3.097 1.00 0.00 C ATOM 995 CD1 PHE C 66 6.662 2.899 -2.736 1.00 0.00 C ATOM 996 CD2 PHE C 66 4.493 3.874 -2.935 1.00 0.00 C ATOM 997 CE1 PHE C 66 6.101 1.746 -2.224 1.00 0.00 C ATOM 998 CE2 PHE C 66 3.927 2.719 -2.426 1.00 0.00 C ATOM 999 CZ PHE C 66 4.733 1.656 -2.070 1.00 0.00 C ATOM 0 H PHE C 66 4.922 4.501 -6.165 1.00 0.00 H new ATOM 0 HA PHE C 66 7.108 6.229 -5.452 1.00 0.00 H new ATOM 0 HB2 PHE C 66 7.492 5.342 -3.218 1.00 0.00 H new ATOM 0 HB3 PHE C 66 5.911 6.095 -3.278 1.00 0.00 H new ATOM 0 HD1 PHE C 66 7.733 2.962 -2.857 1.00 0.00 H new ATOM 0 HD2 PHE C 66 3.858 4.704 -3.209 1.00 0.00 H new ATOM 0 HE1 PHE C 66 6.732 0.916 -1.944 1.00 0.00 H new ATOM 0 HE2 PHE C 66 2.856 2.649 -2.307 1.00 0.00 H new ATOM 0 HZ PHE C 66 4.293 0.754 -1.671 1.00 0.00 H new ATOM 1009 N ASN C 67 8.609 4.004 -5.197 1.00 0.00 N ATOM 1010 CA ASN C 67 9.484 2.892 -5.541 1.00 0.00 C ATOM 1011 C ASN C 67 10.017 2.257 -4.261 1.00 0.00 C ATOM 1012 O ASN C 67 10.439 2.966 -3.346 1.00 0.00 O ATOM 1013 CB ASN C 67 10.652 3.368 -6.413 1.00 0.00 C ATOM 1014 CG ASN C 67 10.197 4.055 -7.689 1.00 0.00 C ATOM 1015 OD1 ASN C 67 10.061 5.279 -7.738 1.00 0.00 O ATOM 1016 ND2 ASN C 67 9.944 3.275 -8.726 1.00 0.00 N ATOM 0 H ASN C 67 9.023 4.670 -4.545 1.00 0.00 H new ATOM 0 HA ASN C 67 8.913 2.156 -6.108 1.00 0.00 H new ATOM 0 HB2 ASN C 67 11.271 4.056 -5.837 1.00 0.00 H new ATOM 0 HB3 ASN C 67 11.278 2.514 -6.670 1.00 0.00 H new ATOM 0 HD21 ASN C 67 9.625 3.683 -9.605 1.00 0.00 H new ATOM 0 HD22 ASN C 67 10.068 2.266 -8.647 1.00 0.00 H new ATOM 1023 N GLU C 68 10.001 0.926 -4.203 1.00 0.00 N ATOM 1024 CA GLU C 68 10.326 0.187 -2.972 1.00 0.00 C ATOM 1025 C GLU C 68 11.739 0.432 -2.436 1.00 0.00 C ATOM 1026 O GLU C 68 12.051 0.001 -1.326 1.00 0.00 O ATOM 1027 CB GLU C 68 10.158 -1.323 -3.155 1.00 0.00 C ATOM 1028 CG GLU C 68 8.731 -1.797 -3.336 1.00 0.00 C ATOM 1029 CD GLU C 68 8.280 -1.796 -4.764 1.00 0.00 C ATOM 1030 OE1 GLU C 68 8.184 -0.712 -5.371 1.00 0.00 O ATOM 1031 OE2 GLU C 68 8.025 -2.902 -5.286 1.00 0.00 O1- ATOM 0 H GLU C 68 9.766 0.330 -4.996 1.00 0.00 H new ATOM 0 HA GLU C 68 9.614 0.577 -2.244 1.00 0.00 H new ATOM 0 HB2 GLU C 68 10.740 -1.634 -4.022 1.00 0.00 H new ATOM 0 HB3 GLU C 68 10.584 -1.827 -2.288 1.00 0.00 H new ATOM 0 HG2 GLU C 68 8.637 -2.806 -2.934 1.00 0.00 H new ATOM 0 HG3 GLU C 68 8.067 -1.159 -2.753 1.00 0.00 H new ATOM 1038 N LYS C 69 12.611 1.077 -3.201 1.00 0.00 N ATOM 1039 CA LYS C 69 13.969 1.308 -2.716 1.00 0.00 C ATOM 1040 C LYS C 69 14.025 2.559 -1.864 1.00 0.00 C ATOM 1041 O LYS C 69 15.064 2.897 -1.296 1.00 0.00 O ATOM 1042 CB LYS C 69 14.976 1.379 -3.859 1.00 0.00 C ATOM 1043 CG LYS C 69 14.771 2.539 -4.799 1.00 0.00 C ATOM 1044 CD LYS C 69 15.550 2.305 -6.084 1.00 0.00 C ATOM 1045 CE LYS C 69 17.051 2.408 -5.868 1.00 0.00 C ATOM 1046 NZ LYS C 69 17.470 3.779 -5.472 1.00 0.00 N1+ ATOM 0 H LYS C 69 12.413 1.441 -4.133 1.00 0.00 H new ATOM 0 HA LYS C 69 14.247 0.455 -2.096 1.00 0.00 H new ATOM 0 HB2 LYS C 69 15.980 1.441 -3.439 1.00 0.00 H new ATOM 0 HB3 LYS C 69 14.925 0.452 -4.430 1.00 0.00 H new ATOM 0 HG2 LYS C 69 13.710 2.655 -5.022 1.00 0.00 H new ATOM 0 HG3 LYS C 69 15.101 3.464 -4.327 1.00 0.00 H new ATOM 0 HD2 LYS C 69 15.308 1.319 -6.480 1.00 0.00 H new ATOM 0 HD3 LYS C 69 15.241 3.034 -6.833 1.00 0.00 H new ATOM 0 HE2 LYS C 69 17.354 1.700 -5.096 1.00 0.00 H new ATOM 0 HE3 LYS C 69 17.568 2.122 -6.784 1.00 0.00 H new ATOM 0 HZ1 LYS C 69 18.502 3.867 -5.566 1.00 0.00 H new ATOM 0 HZ2 LYS C 69 17.006 4.476 -6.089 1.00 0.00 H new ATOM 0 HZ3 LYS C 69 17.196 3.954 -4.484 1.00 0.00 H new ATOM 1060 N SER C 70 12.907 3.252 -1.787 1.00 0.00 N ATOM 1061 CA SER C 70 12.747 4.287 -0.802 1.00 0.00 C ATOM 1062 C SER C 70 12.372 3.607 0.510 1.00 0.00 C ATOM 1063 O SER C 70 11.825 2.503 0.492 1.00 0.00 O ATOM 1064 CB SER C 70 11.668 5.275 -1.239 1.00 0.00 C ATOM 1065 OG SER C 70 11.995 5.854 -2.490 1.00 0.00 O ATOM 0 H SER C 70 12.101 3.113 -2.396 1.00 0.00 H new ATOM 0 HA SER C 70 13.669 4.856 -0.681 1.00 0.00 H new ATOM 0 HB2 SER C 70 10.708 4.764 -1.309 1.00 0.00 H new ATOM 0 HB3 SER C 70 11.559 6.057 -0.488 1.00 0.00 H new ATOM 0 HG SER C 70 11.291 6.483 -2.754 1.00 0.00 H new ATOM 1071 N THR C 71 12.651 4.232 1.643 1.00 0.00 N ATOM 1072 CA THR C 71 12.439 3.571 2.904 1.00 0.00 C ATOM 1073 C THR C 71 10.952 3.466 3.180 1.00 0.00 C ATOM 1074 O THR C 71 10.238 4.473 3.227 1.00 0.00 O ATOM 1075 CB THR C 71 13.169 4.296 4.046 1.00 0.00 C ATOM 1076 OG1 THR C 71 12.966 5.710 3.941 1.00 0.00 O ATOM 1077 CG2 THR C 71 14.659 3.988 4.011 1.00 0.00 C ATOM 0 H THR C 71 13.019 5.181 1.708 1.00 0.00 H new ATOM 0 HA THR C 71 12.857 2.566 2.847 1.00 0.00 H new ATOM 0 HB THR C 71 12.760 3.943 4.993 1.00 0.00 H new ATOM 0 HG1 THR C 71 12.054 5.887 3.630 1.00 0.00 H new ATOM 0 HG21 THR C 71 15.158 4.511 4.827 1.00 0.00 H new ATOM 0 HG22 THR C 71 14.811 2.914 4.121 1.00 0.00 H new ATOM 0 HG23 THR C 71 15.077 4.318 3.060 1.00 0.00 H new ATOM 1085 N VAL C 72 10.495 2.233 3.343 1.00 0.00 N ATOM 1086 CA VAL C 72 9.078 1.918 3.419 1.00 0.00 C ATOM 1087 C VAL C 72 8.395 2.629 4.591 1.00 0.00 C ATOM 1088 O VAL C 72 7.169 2.695 4.651 1.00 0.00 O ATOM 1089 CB VAL C 72 8.866 0.383 3.515 1.00 0.00 C ATOM 1090 CG1 VAL C 72 7.414 0.008 3.322 1.00 0.00 C ATOM 1091 CG2 VAL C 72 9.720 -0.336 2.484 1.00 0.00 C ATOM 0 H VAL C 72 11.102 1.418 3.427 1.00 0.00 H new ATOM 0 HA VAL C 72 8.614 2.282 2.502 1.00 0.00 H new ATOM 0 HB VAL C 72 9.168 0.074 4.516 1.00 0.00 H new ATOM 0 HG11 VAL C 72 7.305 -1.074 3.396 1.00 0.00 H new ATOM 0 HG12 VAL C 72 6.809 0.487 4.092 1.00 0.00 H new ATOM 0 HG13 VAL C 72 7.080 0.340 2.339 1.00 0.00 H new ATOM 0 HG21 VAL C 72 9.560 -1.411 2.565 1.00 0.00 H new ATOM 0 HG22 VAL C 72 9.442 -0.002 1.484 1.00 0.00 H new ATOM 0 HG23 VAL C 72 10.772 -0.112 2.662 1.00 0.00 H new ATOM 1101 N GLY C 73 9.182 3.210 5.490 1.00 0.00 N ATOM 1102 CA GLY C 73 8.603 3.863 6.650 1.00 0.00 C ATOM 1103 C GLY C 73 8.167 5.266 6.324 1.00 0.00 C ATOM 1104 O GLY C 73 7.100 5.714 6.751 1.00 0.00 O ATOM 0 H GLY C 73 10.200 3.241 5.438 1.00 0.00 H new ATOM 0 HA2 GLY C 73 7.749 3.287 7.006 1.00 0.00 H new ATOM 0 HA3 GLY C 73 9.332 3.885 7.460 1.00 0.00 H new ATOM 1108 N ASN C 74 8.981 5.957 5.543 1.00 0.00 N ATOM 1109 CA ASN C 74 8.619 7.275 5.062 1.00 0.00 C ATOM 1110 C ASN C 74 7.497 7.141 4.052 1.00 0.00 C ATOM 1111 O ASN C 74 6.590 7.964 3.992 1.00 0.00 O ATOM 1112 CB ASN C 74 9.828 7.960 4.431 1.00 0.00 C ATOM 1113 CG ASN C 74 10.877 8.332 5.457 1.00 0.00 C ATOM 1114 OD1 ASN C 74 10.560 8.755 6.572 1.00 0.00 O ATOM 1115 ND2 ASN C 74 12.134 8.128 5.108 1.00 0.00 N ATOM 0 H ASN C 74 9.894 5.626 5.231 1.00 0.00 H new ATOM 0 HA ASN C 74 8.282 7.889 5.898 1.00 0.00 H new ATOM 0 HB2 ASN C 74 10.270 7.298 3.686 1.00 0.00 H new ATOM 0 HB3 ASN C 74 9.501 8.858 3.906 1.00 0.00 H new ATOM 0 HD21 ASN C 74 12.885 8.321 5.771 1.00 0.00 H new ATOM 0 HD22 ASN C 74 12.354 7.777 4.176 1.00 0.00 H new ATOM 1122 N ILE C 75 7.555 6.070 3.283 1.00 0.00 N ATOM 1123 CA ILE C 75 6.550 5.797 2.275 1.00 0.00 C ATOM 1124 C ILE C 75 5.199 5.466 2.907 1.00 0.00 C ATOM 1125 O ILE C 75 4.248 6.238 2.790 1.00 0.00 O ATOM 1126 CB ILE C 75 6.978 4.627 1.365 1.00 0.00 C ATOM 1127 CG1 ILE C 75 8.277 4.964 0.623 1.00 0.00 C ATOM 1128 CG2 ILE C 75 5.872 4.286 0.382 1.00 0.00 C ATOM 1129 CD1 ILE C 75 8.186 6.198 -0.252 1.00 0.00 C ATOM 0 H ILE C 75 8.295 5.370 3.339 1.00 0.00 H new ATOM 0 HA ILE C 75 6.450 6.703 1.677 1.00 0.00 H new ATOM 0 HB ILE C 75 7.162 3.754 1.992 1.00 0.00 H new ATOM 0 HG12 ILE C 75 9.074 5.107 1.353 1.00 0.00 H new ATOM 0 HG13 ILE C 75 8.561 4.113 0.004 1.00 0.00 H new ATOM 0 HG21 ILE C 75 6.191 3.459 -0.252 1.00 0.00 H new ATOM 0 HG22 ILE C 75 4.974 3.998 0.930 1.00 0.00 H new ATOM 0 HG23 ILE C 75 5.656 5.156 -0.238 1.00 0.00 H new ATOM 0 HD11 ILE C 75 9.145 6.368 -0.742 1.00 0.00 H new ATOM 0 HD12 ILE C 75 7.414 6.052 -1.007 1.00 0.00 H new ATOM 0 HD13 ILE C 75 7.934 7.062 0.363 1.00 0.00 H new ATOM 1141 N SER C 76 5.135 4.334 3.602 1.00 0.00 N ATOM 1142 CA SER C 76 3.867 3.785 4.062 1.00 0.00 C ATOM 1143 C SER C 76 3.120 4.734 4.968 1.00 0.00 C ATOM 1144 O SER C 76 1.999 5.126 4.675 1.00 0.00 O ATOM 1145 CB SER C 76 4.077 2.457 4.781 1.00 0.00 C ATOM 1146 OG SER C 76 4.830 1.569 3.985 1.00 0.00 O ATOM 0 H SER C 76 5.951 3.778 3.859 1.00 0.00 H new ATOM 0 HA SER C 76 3.261 3.626 3.170 1.00 0.00 H new ATOM 0 HB2 SER C 76 4.590 2.628 5.727 1.00 0.00 H new ATOM 0 HB3 SER C 76 3.111 2.010 5.018 1.00 0.00 H new ATOM 0 HG SER C 76 5.749 1.900 3.906 1.00 0.00 H new ATOM 1152 N ASN C 77 3.740 5.115 6.058 1.00 0.00 N ATOM 1153 CA ASN C 77 3.028 5.874 7.077 1.00 0.00 C ATOM 1154 C ASN C 77 2.739 7.317 6.664 1.00 0.00 C ATOM 1155 O ASN C 77 1.879 7.960 7.263 1.00 0.00 O ATOM 1156 CB ASN C 77 3.721 5.808 8.433 1.00 0.00 C ATOM 1157 CG ASN C 77 3.216 4.642 9.277 1.00 0.00 C ATOM 1158 OD1 ASN C 77 1.913 4.369 9.199 1.00 0.00 O flip ATOM 1159 ND2 ASN C 77 3.978 4.013 10.012 1.00 0.00 N flip ATOM 0 H ASN C 77 4.719 4.920 6.268 1.00 0.00 H new ATOM 0 HA ASN C 77 2.059 5.386 7.180 1.00 0.00 H new ATOM 0 HB2 ASN C 77 4.797 5.710 8.286 1.00 0.00 H new ATOM 0 HB3 ASN C 77 3.557 6.742 8.970 1.00 0.00 H new ATOM 0 HD21 ASN C 77 4.969 4.252 10.044 1.00 0.00 H new ATOM 0 HD22 ASN C 77 3.618 3.253 10.589 1.00 0.00 H new ATOM 1166 N ASP C 78 3.418 7.837 5.643 1.00 0.00 N ATOM 1167 CA ASP C 78 2.998 9.117 5.074 1.00 0.00 C ATOM 1168 C ASP C 78 1.710 8.929 4.304 1.00 0.00 C ATOM 1169 O ASP C 78 0.846 9.802 4.303 1.00 0.00 O ATOM 1170 CB ASP C 78 4.050 9.729 4.165 1.00 0.00 C ATOM 1171 CG ASP C 78 5.042 10.581 4.931 1.00 0.00 C ATOM 1172 OD1 ASP C 78 5.046 11.814 4.729 1.00 0.00 O ATOM 1173 OD2 ASP C 78 5.810 10.029 5.749 1.00 0.00 O1- ATOM 0 H ASP C 78 4.234 7.410 5.205 1.00 0.00 H new ATOM 0 HA ASP C 78 2.850 9.807 5.905 1.00 0.00 H new ATOM 0 HB2 ASP C 78 4.583 8.935 3.643 1.00 0.00 H new ATOM 0 HB3 ASP C 78 3.561 10.338 3.405 1.00 0.00 H new ATOM 1178 N ILE C 79 1.581 7.764 3.672 1.00 0.00 N ATOM 1179 CA ILE C 79 0.334 7.362 3.033 1.00 0.00 C ATOM 1180 C ILE C 79 -0.801 7.399 4.055 1.00 0.00 C ATOM 1181 O ILE C 79 -1.972 7.563 3.710 1.00 0.00 O ATOM 1182 CB ILE C 79 0.443 5.938 2.424 1.00 0.00 C ATOM 1183 CG1 ILE C 79 1.482 5.913 1.299 1.00 0.00 C ATOM 1184 CG2 ILE C 79 -0.906 5.450 1.914 1.00 0.00 C ATOM 1185 CD1 ILE C 79 1.705 4.533 0.712 1.00 0.00 C ATOM 0 H ILE C 79 2.332 7.079 3.590 1.00 0.00 H new ATOM 0 HA ILE C 79 0.127 8.061 2.223 1.00 0.00 H new ATOM 0 HB ILE C 79 0.767 5.261 3.214 1.00 0.00 H new ATOM 0 HG12 ILE C 79 1.163 6.589 0.506 1.00 0.00 H new ATOM 0 HG13 ILE C 79 2.429 6.294 1.681 1.00 0.00 H new ATOM 0 HG21 ILE C 79 -0.796 4.450 1.494 1.00 0.00 H new ATOM 0 HG22 ILE C 79 -1.618 5.421 2.739 1.00 0.00 H new ATOM 0 HG23 ILE C 79 -1.271 6.129 1.144 1.00 0.00 H new ATOM 0 HD11 ILE C 79 2.453 4.591 -0.079 1.00 0.00 H new ATOM 0 HD12 ILE C 79 2.054 3.857 1.493 1.00 0.00 H new ATOM 0 HD13 ILE C 79 0.769 4.158 0.299 1.00 0.00 H new ATOM 1197 N ASN C 80 -0.441 7.287 5.327 1.00 0.00 N ATOM 1198 CA ASN C 80 -1.436 7.298 6.382 1.00 0.00 C ATOM 1199 C ASN C 80 -1.864 8.709 6.681 1.00 0.00 C ATOM 1200 O ASN C 80 -3.029 8.956 6.942 1.00 0.00 O ATOM 1201 CB ASN C 80 -0.943 6.667 7.692 1.00 0.00 C ATOM 1202 CG ASN C 80 -0.521 5.217 7.587 1.00 0.00 C ATOM 1203 OD1 ASN C 80 -0.737 4.438 8.513 1.00 0.00 O ATOM 1204 ND2 ASN C 80 0.130 4.853 6.501 1.00 0.00 N ATOM 0 H ASN C 80 0.522 7.189 5.647 1.00 0.00 H new ATOM 0 HA ASN C 80 -2.268 6.700 6.009 1.00 0.00 H new ATOM 0 HB2 ASN C 80 -0.099 7.249 8.063 1.00 0.00 H new ATOM 0 HB3 ASN C 80 -1.736 6.746 8.436 1.00 0.00 H new ATOM 0 HD21 ASN C 80 0.473 3.897 6.409 1.00 0.00 H new ATOM 0 HD22 ASN C 80 0.291 5.527 5.753 1.00 0.00 H new ATOM 1211 N LYS C 81 -0.920 9.634 6.647 1.00 0.00 N ATOM 1212 CA LYS C 81 -1.224 11.032 6.909 1.00 0.00 C ATOM 1213 C LYS C 81 -2.285 11.509 5.930 1.00 0.00 C ATOM 1214 O LYS C 81 -3.156 12.303 6.265 1.00 0.00 O ATOM 1215 CB LYS C 81 0.039 11.886 6.787 1.00 0.00 C ATOM 1216 CG LYS C 81 1.201 11.383 7.634 1.00 0.00 C ATOM 1217 CD LYS C 81 0.850 11.322 9.114 1.00 0.00 C ATOM 1218 CE LYS C 81 0.583 12.703 9.693 1.00 0.00 C ATOM 1219 NZ LYS C 81 0.228 12.637 11.133 1.00 0.00 N1+ ATOM 0 H LYS C 81 0.061 9.444 6.441 1.00 0.00 H new ATOM 0 HA LYS C 81 -1.603 11.132 7.926 1.00 0.00 H new ATOM 0 HB2 LYS C 81 0.348 11.915 5.742 1.00 0.00 H new ATOM 0 HB3 LYS C 81 -0.195 12.910 7.079 1.00 0.00 H new ATOM 0 HG2 LYS C 81 1.496 10.391 7.291 1.00 0.00 H new ATOM 0 HG3 LYS C 81 2.061 12.038 7.493 1.00 0.00 H new ATOM 0 HD2 LYS C 81 -0.030 10.694 9.252 1.00 0.00 H new ATOM 0 HD3 LYS C 81 1.667 10.851 9.661 1.00 0.00 H new ATOM 0 HE2 LYS C 81 1.467 13.328 9.565 1.00 0.00 H new ATOM 0 HE3 LYS C 81 -0.227 13.179 9.140 1.00 0.00 H new ATOM 0 HZ1 LYS C 81 0.053 13.597 11.492 1.00 0.00 H new ATOM 0 HZ2 LYS C 81 -0.630 12.061 11.253 1.00 0.00 H new ATOM 0 HZ3 LYS C 81 1.011 12.206 11.664 1.00 0.00 H new ATOM 1233 N LEU C 82 -2.222 10.971 4.723 1.00 0.00 N ATOM 1234 CA LEU C 82 -3.195 11.270 3.682 1.00 0.00 C ATOM 1235 C LEU C 82 -4.598 10.881 4.146 1.00 0.00 C ATOM 1236 O LEU C 82 -5.588 11.482 3.728 1.00 0.00 O ATOM 1237 CB LEU C 82 -2.853 10.479 2.416 1.00 0.00 C ATOM 1238 CG LEU C 82 -1.359 10.244 2.162 1.00 0.00 C ATOM 1239 CD1 LEU C 82 -1.168 9.468 0.867 1.00 0.00 C ATOM 1240 CD2 LEU C 82 -0.605 11.566 2.098 1.00 0.00 C ATOM 0 H LEU C 82 -1.496 10.315 4.436 1.00 0.00 H new ATOM 0 HA LEU C 82 -3.166 12.339 3.472 1.00 0.00 H new ATOM 0 HB2 LEU C 82 -3.350 9.511 2.469 1.00 0.00 H new ATOM 0 HB3 LEU C 82 -3.270 11.005 1.557 1.00 0.00 H new ATOM 0 HG LEU C 82 -0.956 9.662 2.991 1.00 0.00 H new ATOM 0 HD11 LEU C 82 -0.104 9.305 0.694 1.00 0.00 H new ATOM 0 HD12 LEU C 82 -1.675 8.506 0.941 1.00 0.00 H new ATOM 0 HD13 LEU C 82 -1.588 10.036 0.037 1.00 0.00 H new ATOM 0 HD21 LEU C 82 0.452 11.373 1.917 1.00 0.00 H new ATOM 0 HD22 LEU C 82 -1.007 12.175 1.288 1.00 0.00 H new ATOM 0 HD23 LEU C 82 -0.721 12.097 3.043 1.00 0.00 H new ATOM 1252 N ASN C 83 -4.643 9.883 5.032 1.00 0.00 N ATOM 1253 CA ASN C 83 -5.888 9.277 5.525 1.00 0.00 C ATOM 1254 C ASN C 83 -6.939 9.193 4.432 1.00 0.00 C ATOM 1255 O ASN C 83 -7.819 10.053 4.322 1.00 0.00 O ATOM 1256 CB ASN C 83 -6.417 9.999 6.765 1.00 0.00 C ATOM 1257 CG ASN C 83 -6.287 9.144 8.020 1.00 0.00 C ATOM 1258 OD1 ASN C 83 -5.268 8.288 8.068 1.00 0.00 O flip ATOM 1259 ND2 ASN C 83 -7.093 9.256 8.943 1.00 0.00 N flip ATOM 0 H ASN C 83 -3.804 9.465 5.435 1.00 0.00 H new ATOM 0 HA ASN C 83 -5.653 8.256 5.826 1.00 0.00 H new ATOM 0 HB2 ASN C 83 -5.870 10.932 6.903 1.00 0.00 H new ATOM 0 HB3 ASN C 83 -7.464 10.263 6.612 1.00 0.00 H new ATOM 0 HD21 ASN C 83 -7.862 9.923 8.871 1.00 0.00 H new ATOM 0 HD22 ASN C 83 -6.993 8.682 9.780 1.00 0.00 H new ATOM 1266 N ILE C 84 -6.817 8.151 3.624 1.00 0.00 N ATOM 1267 CA ILE C 84 -7.643 7.973 2.440 1.00 0.00 C ATOM 1268 C ILE C 84 -9.123 7.944 2.782 1.00 0.00 C ATOM 1269 O ILE C 84 -9.518 7.490 3.848 1.00 0.00 O ATOM 1270 CB ILE C 84 -7.259 6.683 1.698 1.00 0.00 C ATOM 1271 CG1 ILE C 84 -5.751 6.651 1.478 1.00 0.00 C ATOM 1272 CG2 ILE C 84 -7.992 6.581 0.367 1.00 0.00 C ATOM 1273 CD1 ILE C 84 -5.228 7.835 0.690 1.00 0.00 C ATOM 0 H ILE C 84 -6.140 7.403 3.772 1.00 0.00 H new ATOM 0 HA ILE C 84 -7.461 8.830 1.792 1.00 0.00 H new ATOM 0 HB ILE C 84 -7.553 5.828 2.307 1.00 0.00 H new ATOM 0 HG12 ILE C 84 -5.251 6.620 2.446 1.00 0.00 H new ATOM 0 HG13 ILE C 84 -5.488 5.732 0.954 1.00 0.00 H new ATOM 0 HG21 ILE C 84 -7.703 5.659 -0.138 1.00 0.00 H new ATOM 0 HG22 ILE C 84 -9.068 6.576 0.543 1.00 0.00 H new ATOM 0 HG23 ILE C 84 -7.731 7.435 -0.258 1.00 0.00 H new ATOM 0 HD11 ILE C 84 -4.148 7.745 0.572 1.00 0.00 H new ATOM 0 HD12 ILE C 84 -5.700 7.855 -0.292 1.00 0.00 H new ATOM 0 HD13 ILE C 84 -5.459 8.757 1.223 1.00 0.00 H new ATOM 1285 N LYS C 85 -9.926 8.430 1.860 1.00 0.00 N ATOM 1286 CA LYS C 85 -11.349 8.581 2.073 1.00 0.00 C ATOM 1287 C LYS C 85 -12.120 7.962 0.927 1.00 0.00 C ATOM 1288 O LYS C 85 -13.067 8.552 0.404 1.00 0.00 O ATOM 1289 CB LYS C 85 -11.705 10.055 2.178 1.00 0.00 C ATOM 1290 CG LYS C 85 -10.873 10.956 1.238 1.00 0.00 C ATOM 1291 CD LYS C 85 -9.621 11.491 1.928 1.00 0.00 C ATOM 1292 CE LYS C 85 -8.403 11.431 1.010 1.00 0.00 C ATOM 1293 NZ LYS C 85 -7.231 12.145 1.589 1.00 0.00 N1+ ATOM 0 H LYS C 85 -9.609 8.732 0.939 1.00 0.00 H new ATOM 0 HA LYS C 85 -11.615 8.074 3.001 1.00 0.00 H new ATOM 0 HB2 LYS C 85 -12.763 10.183 1.949 1.00 0.00 H new ATOM 0 HB3 LYS C 85 -11.560 10.384 3.207 1.00 0.00 H new ATOM 0 HG2 LYS C 85 -10.586 10.390 0.352 1.00 0.00 H new ATOM 0 HG3 LYS C 85 -11.486 11.791 0.898 1.00 0.00 H new ATOM 0 HD2 LYS C 85 -9.790 12.521 2.242 1.00 0.00 H new ATOM 0 HD3 LYS C 85 -9.426 10.911 2.830 1.00 0.00 H new ATOM 0 HE2 LYS C 85 -8.138 10.390 0.827 1.00 0.00 H new ATOM 0 HE3 LYS C 85 -8.655 11.871 0.045 1.00 0.00 H new ATOM 0 HZ1 LYS C 85 -6.491 12.242 0.865 1.00 0.00 H new ATOM 0 HZ2 LYS C 85 -7.525 13.089 1.913 1.00 0.00 H new ATOM 0 HZ3 LYS C 85 -6.858 11.603 2.395 1.00 0.00 H new ATOM 1307 N GLY C 86 -11.717 6.776 0.543 1.00 0.00 N ATOM 1308 CA GLY C 86 -12.283 6.161 -0.625 1.00 0.00 C ATOM 1309 C GLY C 86 -12.896 4.807 -0.325 1.00 0.00 C ATOM 1310 O GLY C 86 -12.534 4.173 0.665 1.00 0.00 O ATOM 0 H GLY C 86 -11.005 6.223 1.020 1.00 0.00 H new ATOM 0 HA2 GLY C 86 -13.046 6.817 -1.045 1.00 0.00 H new ATOM 0 HA3 GLY C 86 -11.509 6.046 -1.383 1.00 0.00 H new ATOM 1314 N PRO C 87 -13.826 4.326 -1.164 1.00 0.00 N ATOM 1315 CA PRO C 87 -14.525 3.060 -0.922 1.00 0.00 C ATOM 1316 C PRO C 87 -13.674 1.854 -1.303 1.00 0.00 C ATOM 1317 O PRO C 87 -13.595 0.873 -0.556 1.00 0.00 O ATOM 1318 CB PRO C 87 -15.737 3.168 -1.842 1.00 0.00 C ATOM 1319 CG PRO C 87 -15.233 3.965 -2.991 1.00 0.00 C ATOM 1320 CD PRO C 87 -14.301 4.987 -2.396 1.00 0.00 C ATOM 0 HA PRO C 87 -14.773 2.912 0.129 1.00 0.00 H new ATOM 0 HB2 PRO C 87 -16.089 2.186 -2.159 1.00 0.00 H new ATOM 0 HB3 PRO C 87 -16.573 3.662 -1.347 1.00 0.00 H new ATOM 0 HG2 PRO C 87 -14.713 3.331 -3.710 1.00 0.00 H new ATOM 0 HG3 PRO C 87 -16.053 4.446 -3.525 1.00 0.00 H new ATOM 0 HD2 PRO C 87 -13.478 5.223 -3.070 1.00 0.00 H new ATOM 0 HD3 PRO C 87 -14.815 5.924 -2.179 1.00 0.00 H new ATOM 1328 N TYR C 88 -13.034 1.926 -2.461 1.00 0.00 N ATOM 1329 CA TYR C 88 -12.105 0.897 -2.866 1.00 0.00 C ATOM 1330 C TYR C 88 -10.747 1.511 -3.159 1.00 0.00 C ATOM 1331 O TYR C 88 -10.606 2.379 -4.030 1.00 0.00 O ATOM 1332 CB TYR C 88 -12.624 0.081 -4.061 1.00 0.00 C ATOM 1333 CG TYR C 88 -13.055 0.897 -5.263 1.00 0.00 C ATOM 1334 CD1 TYR C 88 -12.174 1.142 -6.309 1.00 0.00 C ATOM 1335 CD2 TYR C 88 -14.341 1.415 -5.355 1.00 0.00 C ATOM 1336 CE1 TYR C 88 -12.559 1.879 -7.408 1.00 0.00 C ATOM 1337 CE2 TYR C 88 -14.734 2.154 -6.454 1.00 0.00 C ATOM 1338 CZ TYR C 88 -13.839 2.383 -7.477 1.00 0.00 C ATOM 1339 OH TYR C 88 -14.223 3.121 -8.573 1.00 0.00 O ATOM 0 H TYR C 88 -13.145 2.687 -3.131 1.00 0.00 H new ATOM 0 HA TYR C 88 -12.001 0.195 -2.039 1.00 0.00 H new ATOM 0 HB2 TYR C 88 -11.843 -0.612 -4.374 1.00 0.00 H new ATOM 0 HB3 TYR C 88 -13.470 -0.521 -3.729 1.00 0.00 H new ATOM 0 HD1 TYR C 88 -11.170 0.748 -6.260 1.00 0.00 H new ATOM 0 HD2 TYR C 88 -15.044 1.237 -4.555 1.00 0.00 H new ATOM 0 HE1 TYR C 88 -11.860 2.061 -8.211 1.00 0.00 H new ATOM 0 HE2 TYR C 88 -15.737 2.550 -6.511 1.00 0.00 H new ATOM 0 HH TYR C 88 -15.156 3.402 -8.468 1.00 0.00 H new ATOM 1349 N ILE C 89 -9.761 1.089 -2.388 1.00 0.00 N ATOM 1350 CA ILE C 89 -8.414 1.592 -2.536 1.00 0.00 C ATOM 1351 C ILE C 89 -7.568 0.581 -3.286 1.00 0.00 C ATOM 1352 O ILE C 89 -7.495 -0.592 -2.916 1.00 0.00 O ATOM 1353 CB ILE C 89 -7.781 1.904 -1.167 1.00 0.00 C ATOM 1354 CG1 ILE C 89 -8.695 2.849 -0.387 1.00 0.00 C ATOM 1355 CG2 ILE C 89 -6.398 2.520 -1.343 1.00 0.00 C ATOM 1356 CD1 ILE C 89 -8.223 3.131 1.022 1.00 0.00 C ATOM 0 H ILE C 89 -9.873 0.395 -1.649 1.00 0.00 H new ATOM 0 HA ILE C 89 -8.456 2.521 -3.104 1.00 0.00 H new ATOM 0 HB ILE C 89 -7.666 0.976 -0.607 1.00 0.00 H new ATOM 0 HG12 ILE C 89 -8.775 3.791 -0.929 1.00 0.00 H new ATOM 0 HG13 ILE C 89 -9.696 2.419 -0.346 1.00 0.00 H new ATOM 0 HG21 ILE C 89 -5.967 2.733 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE C 89 -5.754 1.822 -1.878 1.00 0.00 H new ATOM 0 HG23 ILE C 89 -6.482 3.446 -1.912 1.00 0.00 H new ATOM 0 HD11 ILE C 89 -8.923 3.809 1.511 1.00 0.00 H new ATOM 0 HD12 ILE C 89 -8.170 2.197 1.582 1.00 0.00 H new ATOM 0 HD13 ILE C 89 -7.235 3.591 0.990 1.00 0.00 H new ATOM 1368 N GLU C 90 -6.950 1.040 -4.348 1.00 0.00 N ATOM 1369 CA GLU C 90 -6.176 0.186 -5.216 1.00 0.00 C ATOM 1370 C GLU C 90 -4.721 0.166 -4.784 1.00 0.00 C ATOM 1371 O GLU C 90 -3.949 1.077 -5.081 1.00 0.00 O ATOM 1372 CB GLU C 90 -6.315 0.680 -6.644 1.00 0.00 C ATOM 1373 CG GLU C 90 -7.755 0.621 -7.140 1.00 0.00 C ATOM 1374 CD GLU C 90 -7.946 1.221 -8.518 1.00 0.00 C ATOM 1375 OE1 GLU C 90 -8.535 2.320 -8.620 1.00 0.00 O ATOM 1376 OE2 GLU C 90 -7.521 0.587 -9.507 1.00 0.00 O1- ATOM 0 H GLU C 90 -6.970 2.019 -4.635 1.00 0.00 H new ATOM 0 HA GLU C 90 -6.550 -0.836 -5.154 1.00 0.00 H new ATOM 0 HB2 GLU C 90 -5.953 1.706 -6.708 1.00 0.00 H new ATOM 0 HB3 GLU C 90 -5.683 0.078 -7.297 1.00 0.00 H new ATOM 0 HG2 GLU C 90 -8.083 -0.418 -7.157 1.00 0.00 H new ATOM 0 HG3 GLU C 90 -8.396 1.146 -6.432 1.00 0.00 H new ATOM 1383 N ILE C 91 -4.373 -0.887 -4.072 1.00 0.00 N ATOM 1384 CA ILE C 91 -3.040 -1.060 -3.527 1.00 0.00 C ATOM 1385 C ILE C 91 -2.314 -2.186 -4.270 1.00 0.00 C ATOM 1386 O ILE C 91 -2.567 -3.364 -4.019 1.00 0.00 O ATOM 1387 CB ILE C 91 -3.153 -1.369 -2.008 1.00 0.00 C ATOM 1388 CG1 ILE C 91 -3.564 -0.110 -1.238 1.00 0.00 C ATOM 1389 CG2 ILE C 91 -1.873 -1.948 -1.430 1.00 0.00 C ATOM 1390 CD1 ILE C 91 -2.523 0.993 -1.263 1.00 0.00 C ATOM 0 H ILE C 91 -5.011 -1.652 -3.853 1.00 0.00 H new ATOM 0 HA ILE C 91 -2.459 -0.147 -3.658 1.00 0.00 H new ATOM 0 HB ILE C 91 -3.924 -2.131 -1.896 1.00 0.00 H new ATOM 0 HG12 ILE C 91 -4.495 0.273 -1.657 1.00 0.00 H new ATOM 0 HG13 ILE C 91 -3.768 -0.380 -0.202 1.00 0.00 H new ATOM 0 HG21 ILE C 91 -2.010 -2.144 -0.367 1.00 0.00 H new ATOM 0 HG22 ILE C 91 -1.631 -2.879 -1.942 1.00 0.00 H new ATOM 0 HG23 ILE C 91 -1.058 -1.237 -1.566 1.00 0.00 H new ATOM 0 HD11 ILE C 91 -2.887 1.850 -0.697 1.00 0.00 H new ATOM 0 HD12 ILE C 91 -1.597 0.630 -0.816 1.00 0.00 H new ATOM 0 HD13 ILE C 91 -2.335 1.293 -2.294 1.00 0.00 H new ATOM 1402 N LYS C 92 -1.450 -1.814 -5.222 1.00 0.00 N ATOM 1403 CA LYS C 92 -0.684 -2.784 -6.000 1.00 0.00 C ATOM 1404 C LYS C 92 0.343 -2.037 -6.830 1.00 0.00 C ATOM 1405 O LYS C 92 0.283 -0.818 -6.932 1.00 0.00 O ATOM 1406 CB LYS C 92 -1.588 -3.619 -6.925 1.00 0.00 C ATOM 1407 CG LYS C 92 -2.114 -2.871 -8.149 1.00 0.00 C ATOM 1408 CD LYS C 92 -3.186 -1.851 -7.794 1.00 0.00 C ATOM 1409 CE LYS C 92 -4.397 -2.515 -7.157 1.00 0.00 C ATOM 1410 NZ LYS C 92 -4.978 -3.574 -8.021 1.00 0.00 N1+ ATOM 0 H LYS C 92 -1.266 -0.842 -5.470 1.00 0.00 H new ATOM 0 HA LYS C 92 -0.196 -3.473 -5.310 1.00 0.00 H new ATOM 0 HB2 LYS C 92 -1.031 -4.493 -7.262 1.00 0.00 H new ATOM 0 HB3 LYS C 92 -2.437 -3.985 -6.347 1.00 0.00 H new ATOM 0 HG2 LYS C 92 -1.286 -2.365 -8.645 1.00 0.00 H new ATOM 0 HG3 LYS C 92 -2.522 -3.588 -8.861 1.00 0.00 H new ATOM 0 HD2 LYS C 92 -2.773 -1.111 -7.109 1.00 0.00 H new ATOM 0 HD3 LYS C 92 -3.493 -1.317 -8.693 1.00 0.00 H new ATOM 0 HE2 LYS C 92 -4.109 -2.948 -6.199 1.00 0.00 H new ATOM 0 HE3 LYS C 92 -5.156 -1.760 -6.951 1.00 0.00 H new ATOM 0 HZ1 LYS C 92 -5.907 -3.856 -7.648 1.00 0.00 H new ATOM 0 HZ2 LYS C 92 -5.089 -3.210 -8.989 1.00 0.00 H new ATOM 0 HZ3 LYS C 92 -4.345 -4.399 -8.032 1.00 0.00 H new ATOM 1424 N GLN C 93 1.278 -2.741 -7.428 1.00 0.00 N ATOM 1425 CA GLN C 93 2.263 -2.070 -8.248 1.00 0.00 C ATOM 1426 C GLN C 93 1.811 -2.016 -9.695 1.00 0.00 C ATOM 1427 O GLN C 93 0.875 -2.709 -10.093 1.00 0.00 O ATOM 1428 CB GLN C 93 3.639 -2.710 -8.125 1.00 0.00 C ATOM 1429 CG GLN C 93 3.689 -3.937 -7.229 1.00 0.00 C ATOM 1430 CD GLN C 93 5.108 -4.324 -6.865 1.00 0.00 C ATOM 1431 OE1 GLN C 93 5.985 -3.339 -6.804 1.00 0.00 O flip ATOM 1432 NE2 GLN C 93 5.411 -5.498 -6.640 1.00 0.00 N flip ATOM 0 H GLN C 93 1.378 -3.754 -7.366 1.00 0.00 H new ATOM 0 HA GLN C 93 2.353 -1.048 -7.879 1.00 0.00 H new ATOM 0 HB2 GLN C 93 3.986 -2.989 -9.120 1.00 0.00 H new ATOM 0 HB3 GLN C 93 4.338 -1.967 -7.741 1.00 0.00 H new ATOM 0 HG2 GLN C 93 3.122 -3.743 -6.318 1.00 0.00 H new ATOM 0 HG3 GLN C 93 3.205 -4.773 -7.734 1.00 0.00 H new ATOM 0 HE21 GLN C 93 4.701 -6.228 -6.698 1.00 0.00 H new ATOM 0 HE22 GLN C 93 6.371 -5.739 -6.395 1.00 0.00 H new ATOM 1441 N ILE C 94 2.486 -1.190 -10.471 1.00 0.00 N ATOM 1442 CA ILE C 94 2.041 -0.857 -11.813 1.00 0.00 C ATOM 1443 C ILE C 94 2.889 -1.548 -12.876 1.00 0.00 C ATOM 1444 O ILE C 94 3.410 -0.859 -13.778 1.00 0.00 O ATOM 1445 CB ILE C 94 2.075 0.673 -12.010 1.00 0.00 C ATOM 1446 CG1 ILE C 94 3.421 1.240 -11.536 1.00 0.00 C ATOM 1447 CG2 ILE C 94 0.927 1.317 -11.249 1.00 0.00 C ATOM 1448 CD1 ILE C 94 3.510 2.749 -11.573 1.00 0.00 C ATOM 1449 OXT ILE C 94 3.051 -2.783 -12.791 1.00 0.00 O ATOM 0 H ILE C 94 3.354 -0.732 -10.192 1.00 0.00 H new ATOM 0 HA ILE C 94 1.018 -1.215 -11.928 1.00 0.00 H new ATOM 0 HB ILE C 94 1.962 0.898 -13.071 1.00 0.00 H new ATOM 0 HG12 ILE C 94 3.605 0.902 -10.516 1.00 0.00 H new ATOM 0 HG13 ILE C 94 4.215 0.826 -12.157 1.00 0.00 H new ATOM 0 HG21 ILE C 94 0.956 2.397 -11.392 1.00 0.00 H new ATOM 0 HG22 ILE C 94 -0.020 0.927 -11.621 1.00 0.00 H new ATOM 0 HG23 ILE C 94 1.021 1.089 -10.187 1.00 0.00 H new ATOM 0 HD11 ILE C 94 4.493 3.064 -11.222 1.00 0.00 H new ATOM 0 HD12 ILE C 94 3.360 3.097 -12.595 1.00 0.00 H new ATOM 0 HD13 ILE C 94 2.741 3.175 -10.928 1.00 0.00 H new TER 1461 ILE C 94