USER MOD reduce.3.24.130724 H: found=0, std=0, add=816, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 816 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 Single : A 1 GLU N :NH3+ -140:sc= 0.129 (180deg=-0.0481) USER MOD Single : A 2 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0228) USER MOD Single : A 3 LYS NZ :NH3+ -129:sc= 0.0106 (180deg=-0.127) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : A 6 LYS NZ :NH3+ 165:sc= -0.0476 (180deg=-0.308) USER MOD Single : A 8 LYS NZ :NH3+ 167:sc= -0.0331 (180deg=-0.223) USER MOD Single : A 10 LYS NZ :NH3+ -169:sc= -0.0208 (180deg=-0.174) USER MOD Single : A 11 LYS NZ :NH3+ -159:sc= -0.0946 (180deg=-0.522) USER MOD Single : A 13 GLN : amide:sc= -0.583 X(o=-0.58,f=-0.7) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 161:sc= -0.174 (180deg=-0.748) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -166:sc= 0.0949 (180deg=-0.084) USER MOD Single : A 22 THR OG1 : rot 5:sc= 1.09 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 HIS : no HD1:sc= -1.01 K(o=-1,f=-3!) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 CYS SG : rot -149:sc= -0.602 USER MOD Single : A 35 CYS SG : rot 174:sc= -0.719 USER MOD Single : A 38 LYS NZ :NH3+ -140:sc= -0.0543 (180deg=-0.278) USER MOD Single : A 41 LYS NZ :NH3+ -175:sc=-0.00541 (180deg=-0.048) USER MOD Single : A 42 ASN : amide:sc= 0.00138 X(o=0.0014,f=-0.013) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 167:sc= 0.474 (180deg=-0.12) USER MOD Single : A 48 GLN : amide:sc= -0.697 K(o=-0.7,f=-6.7!) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-0.72,f=0) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0.0157 USER MOD Single : A 60 ASN : amide:sc= -4.22! C(o=-4.2!,f=-7.6!) USER MOD Single : A 64 LYS NZ :NH3+ 172:sc= 1.2 (180deg=1.13) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.126 USER MOD Single : A 73 SER OG : rot 180:sc=-0.000764 USER MOD Single : A 74 TYR OH : rot 165:sc= 0.745 USER MOD Single : A 76 TYR OH : rot 110:sc= -0.0437 USER MOD Single : A 78 LYS NZ :NH3+ -170:sc= -1.35! (180deg=-1.5!) USER MOD Single : A 79 THR OG1 : rot 180:sc= -0.0639 USER MOD Single : A 80 THR OG1 : rot -21:sc= 0.0912 USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot -41:sc= 0.0869 USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ 150:sc= 1.22 (180deg=1.02) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 -30.362 6.738 5.060 1.00 0.00 N ATOM 2 CA GLU A 1 -30.266 6.204 3.709 1.00 0.00 C ATOM 3 C GLU A 1 -29.980 4.737 3.832 1.00 0.00 C ATOM 4 O GLU A 1 -29.800 4.232 4.942 1.00 0.00 O ATOM 5 CB GLU A 1 -29.077 6.821 2.958 1.00 0.00 C ATOM 6 CG GLU A 1 -29.037 8.328 2.875 1.00 0.00 C ATOM 7 CD GLU A 1 -27.771 8.791 2.199 1.00 0.00 C ATOM 8 OE1 GLU A 1 -26.680 8.631 2.789 1.00 0.00 O ATOM 9 OE2 GLU A 1 -27.826 9.287 1.056 1.00 0.00 O ATOM 0 H1 GLU A 1 -31.138 7.429 5.106 1.00 0.00 H new ATOM 0 H2 GLU A 1 -30.549 5.963 5.727 1.00 0.00 H new ATOM 0 H3 GLU A 1 -29.468 7.205 5.313 1.00 0.00 H new ATOM 0 HA GLU A 1 -31.190 6.420 3.173 1.00 0.00 H new ATOM 0 HB2 GLU A 1 -28.159 6.482 3.437 1.00 0.00 H new ATOM 0 HB3 GLU A 1 -29.072 6.424 1.943 1.00 0.00 H new ATOM 0 HG2 GLU A 1 -29.904 8.690 2.322 1.00 0.00 H new ATOM 0 HG3 GLU A 1 -29.097 8.754 3.876 1.00 0.00 H new ATOM 18 N LYS A 2 -29.941 4.051 2.719 1.00 0.00 N ATOM 19 CA LYS A 2 -29.439 2.705 2.690 1.00 0.00 C ATOM 20 C LYS A 2 -27.931 2.854 2.708 1.00 0.00 C ATOM 21 O LYS A 2 -27.363 3.472 1.788 1.00 0.00 O ATOM 22 CB LYS A 2 -29.882 1.976 1.415 1.00 0.00 C ATOM 23 CG LYS A 2 -31.386 1.887 1.228 1.00 0.00 C ATOM 24 CD LYS A 2 -31.740 1.191 -0.074 1.00 0.00 C ATOM 25 CE LYS A 2 -33.242 1.187 -0.322 1.00 0.00 C ATOM 26 NZ LYS A 2 -33.994 0.420 0.690 1.00 0.00 N ATOM 0 H LYS A 2 -30.254 4.407 1.816 1.00 0.00 H new ATOM 0 HA LYS A 2 -29.813 2.118 3.528 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -29.451 2.485 0.553 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -29.470 0.967 1.428 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -31.827 1.345 2.064 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -31.815 2.889 1.236 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -31.236 1.690 -0.902 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -31.373 0.165 -0.049 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -33.605 2.215 -0.334 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -33.440 0.768 -1.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -34.998 0.383 0.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -33.614 -0.547 0.746 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -33.900 0.883 1.617 1.00 0.00 H new ATOM 40 N LYS A 3 -27.298 2.355 3.738 1.00 0.00 N ATOM 41 CA LYS A 3 -25.883 2.570 3.934 1.00 0.00 C ATOM 42 C LYS A 3 -25.074 1.910 2.817 1.00 0.00 C ATOM 43 O LYS A 3 -25.449 0.833 2.322 1.00 0.00 O ATOM 44 CB LYS A 3 -25.460 2.072 5.317 1.00 0.00 C ATOM 45 CG LYS A 3 -24.097 2.565 5.766 1.00 0.00 C ATOM 46 CD LYS A 3 -23.788 2.106 7.178 1.00 0.00 C ATOM 47 CE LYS A 3 -22.521 2.752 7.713 1.00 0.00 C ATOM 48 NZ LYS A 3 -21.334 2.419 6.911 1.00 0.00 N ATOM 0 H LYS A 3 -27.743 1.791 4.462 1.00 0.00 H new ATOM 0 HA LYS A 3 -25.678 3.640 3.889 1.00 0.00 H new ATOM 0 HB2 LYS A 3 -26.206 2.385 6.047 1.00 0.00 H new ATOM 0 HB3 LYS A 3 -25.456 0.982 5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 3 -23.331 2.196 5.084 1.00 0.00 H new ATOM 0 HG3 LYS A 3 -24.067 3.654 5.719 1.00 0.00 H new ATOM 0 HD2 LYS A 3 -24.625 2.350 7.832 1.00 0.00 H new ATOM 0 HD3 LYS A 3 -23.678 1.022 7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 3 -22.650 3.834 7.732 1.00 0.00 H new ATOM 0 HE3 LYS A 3 -22.361 2.431 8.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 -20.578 2.073 7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 -21.578 1.680 6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 -21.005 3.268 6.408 1.00 0.00 H new ATOM 62 N GLU A 4 -24.025 2.605 2.399 1.00 0.00 N ATOM 63 CA GLU A 4 -23.119 2.186 1.334 1.00 0.00 C ATOM 64 C GLU A 4 -22.634 0.751 1.565 1.00 0.00 C ATOM 65 O GLU A 4 -21.851 0.481 2.494 1.00 0.00 O ATOM 66 CB GLU A 4 -21.890 3.124 1.239 1.00 0.00 C ATOM 67 CG GLU A 4 -22.176 4.631 1.113 1.00 0.00 C ATOM 68 CD GLU A 4 -22.675 5.261 2.399 1.00 0.00 C ATOM 69 OE1 GLU A 4 -21.846 5.534 3.301 1.00 0.00 O ATOM 70 OE2 GLU A 4 -23.905 5.483 2.539 1.00 0.00 O ATOM 0 H GLU A 4 -23.771 3.506 2.804 1.00 0.00 H new ATOM 0 HA GLU A 4 -23.677 2.236 0.399 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -21.274 2.968 2.125 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -21.295 2.818 0.379 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -21.266 5.140 0.797 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -22.917 4.788 0.329 1.00 0.00 H new ATOM 77 N GLN A 5 -23.122 -0.159 0.753 1.00 0.00 N ATOM 78 CA GLN A 5 -22.776 -1.557 0.875 1.00 0.00 C ATOM 79 C GLN A 5 -22.260 -2.129 -0.441 1.00 0.00 C ATOM 80 O GLN A 5 -21.989 -3.327 -0.541 1.00 0.00 O ATOM 81 CB GLN A 5 -23.967 -2.366 1.400 1.00 0.00 C ATOM 82 CG GLN A 5 -25.238 -2.251 0.562 1.00 0.00 C ATOM 83 CD GLN A 5 -26.389 -3.044 1.150 1.00 0.00 C ATOM 84 OE1 GLN A 5 -26.188 -4.074 1.803 1.00 0.00 O ATOM 85 NE2 GLN A 5 -27.590 -2.595 0.926 1.00 0.00 N ATOM 0 H GLN A 5 -23.768 0.048 -0.009 1.00 0.00 H new ATOM 0 HA GLN A 5 -21.965 -1.634 1.599 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -23.679 -3.416 1.456 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -24.188 -2.042 2.417 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -25.525 -1.202 0.483 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -25.037 -2.603 -0.450 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -27.722 -1.742 0.383 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -28.399 -3.096 1.293 1.00 0.00 H new ATOM 94 N LYS A 6 -22.106 -1.271 -1.433 1.00 0.00 N ATOM 95 CA LYS A 6 -21.591 -1.701 -2.721 1.00 0.00 C ATOM 96 C LYS A 6 -20.089 -1.895 -2.590 1.00 0.00 C ATOM 97 O LYS A 6 -19.547 -2.959 -2.901 1.00 0.00 O ATOM 98 CB LYS A 6 -21.928 -0.676 -3.817 1.00 0.00 C ATOM 99 CG LYS A 6 -21.506 -1.098 -5.213 1.00 0.00 C ATOM 100 CD LYS A 6 -21.955 -0.098 -6.265 1.00 0.00 C ATOM 101 CE LYS A 6 -21.561 -0.552 -7.669 1.00 0.00 C ATOM 102 NZ LYS A 6 -22.156 -1.861 -8.025 1.00 0.00 N ATOM 0 H LYS A 6 -22.329 -0.277 -1.373 1.00 0.00 H new ATOM 0 HA LYS A 6 -22.058 -2.641 -3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -23.003 -0.496 -3.813 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -21.446 0.271 -3.574 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -20.422 -1.201 -5.249 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -21.927 -2.078 -5.439 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -23.036 0.028 -6.212 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -21.510 0.875 -6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -21.879 0.198 -8.393 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -20.475 -0.619 -7.735 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -22.078 -2.010 -9.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -21.650 -2.620 -7.526 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -23.158 -1.873 -7.748 1.00 0.00 H new ATOM 116 N GLU A 7 -19.441 -0.883 -2.095 1.00 0.00 N ATOM 117 CA GLU A 7 -18.038 -0.920 -1.798 1.00 0.00 C ATOM 118 C GLU A 7 -17.908 -1.252 -0.318 1.00 0.00 C ATOM 119 O GLU A 7 -17.167 -2.154 0.063 1.00 0.00 O ATOM 120 CB GLU A 7 -17.405 0.436 -2.108 1.00 0.00 C ATOM 121 CG GLU A 7 -15.923 0.522 -1.817 1.00 0.00 C ATOM 122 CD GLU A 7 -15.370 1.879 -2.121 1.00 0.00 C ATOM 123 OE1 GLU A 7 -15.617 2.821 -1.343 1.00 0.00 O ATOM 124 OE2 GLU A 7 -14.676 2.042 -3.137 1.00 0.00 O ATOM 0 H GLU A 7 -19.882 0.012 -1.881 1.00 0.00 H new ATOM 0 HA GLU A 7 -17.524 -1.667 -2.402 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -17.569 0.666 -3.161 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -17.920 1.203 -1.530 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -15.745 0.285 -0.768 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -15.394 -0.226 -2.407 1.00 0.00 H new ATOM 131 N LYS A 8 -18.681 -0.524 0.486 1.00 0.00 N ATOM 132 CA LYS A 8 -18.788 -0.703 1.934 1.00 0.00 C ATOM 133 C LYS A 8 -17.474 -0.489 2.707 1.00 0.00 C ATOM 134 O LYS A 8 -16.526 -1.292 2.625 1.00 0.00 O ATOM 135 CB LYS A 8 -19.459 -2.043 2.307 1.00 0.00 C ATOM 136 CG LYS A 8 -19.626 -2.230 3.804 1.00 0.00 C ATOM 137 CD LYS A 8 -20.462 -3.443 4.154 1.00 0.00 C ATOM 138 CE LYS A 8 -20.593 -3.585 5.664 1.00 0.00 C ATOM 139 NZ LYS A 8 -21.281 -2.426 6.301 1.00 0.00 N ATOM 0 H LYS A 8 -19.270 0.232 0.136 1.00 0.00 H new ATOM 0 HA LYS A 8 -19.443 0.104 2.262 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -20.437 -2.098 1.829 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -18.863 -2.864 1.909 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -18.643 -2.326 4.265 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -20.091 -1.340 4.227 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -21.451 -3.352 3.705 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -20.004 -4.340 3.737 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -21.145 -4.497 5.891 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -19.600 -3.696 6.100 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -21.538 -2.669 7.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -20.645 -1.604 6.304 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -22.142 -2.195 5.765 1.00 0.00 H new ATOM 153 N GLU A 9 -17.449 0.611 3.447 1.00 0.00 N ATOM 154 CA GLU A 9 -16.367 1.012 4.350 1.00 0.00 C ATOM 155 C GLU A 9 -15.150 1.520 3.609 1.00 0.00 C ATOM 156 O GLU A 9 -14.891 2.727 3.630 1.00 0.00 O ATOM 157 CB GLU A 9 -15.974 -0.075 5.371 1.00 0.00 C ATOM 158 CG GLU A 9 -17.100 -0.523 6.284 1.00 0.00 C ATOM 159 CD GLU A 9 -17.765 0.619 7.002 1.00 0.00 C ATOM 160 OE1 GLU A 9 -17.244 1.096 8.033 1.00 0.00 O ATOM 161 OE2 GLU A 9 -18.850 1.042 6.571 1.00 0.00 O ATOM 0 H GLU A 9 -18.216 1.283 3.437 1.00 0.00 H new ATOM 0 HA GLU A 9 -16.781 1.841 4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -15.596 -0.943 4.830 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -15.155 0.301 5.984 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -17.845 -1.059 5.696 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -16.707 -1.227 7.018 1.00 0.00 H new ATOM 168 N LYS A 10 -14.437 0.605 2.942 1.00 0.00 N ATOM 169 CA LYS A 10 -13.185 0.887 2.237 1.00 0.00 C ATOM 170 C LYS A 10 -12.220 1.638 3.158 1.00 0.00 C ATOM 171 O LYS A 10 -12.187 2.884 3.200 1.00 0.00 O ATOM 172 CB LYS A 10 -13.434 1.641 0.917 1.00 0.00 C ATOM 173 CG LYS A 10 -12.192 1.883 0.075 1.00 0.00 C ATOM 174 CD LYS A 10 -11.554 0.578 -0.365 1.00 0.00 C ATOM 175 CE LYS A 10 -10.299 0.815 -1.188 1.00 0.00 C ATOM 176 NZ LYS A 10 -10.578 1.557 -2.432 1.00 0.00 N ATOM 0 H LYS A 10 -14.722 -0.372 2.877 1.00 0.00 H new ATOM 0 HA LYS A 10 -12.720 -0.061 1.965 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -14.154 1.077 0.323 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -13.893 2.603 1.146 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -12.456 2.474 -0.802 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -11.471 2.466 0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -11.306 -0.020 0.512 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -12.270 0.002 -0.951 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -9.575 1.370 -0.591 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.842 -0.143 -1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.739 1.534 -3.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.380 1.117 -2.926 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -10.812 2.544 -2.202 1.00 0.00 H new ATOM 190 N LYS A 11 -11.490 0.891 3.917 1.00 0.00 N ATOM 191 CA LYS A 11 -10.639 1.441 4.927 1.00 0.00 C ATOM 192 C LYS A 11 -9.179 1.200 4.599 1.00 0.00 C ATOM 193 O LYS A 11 -8.846 0.674 3.535 1.00 0.00 O ATOM 194 CB LYS A 11 -10.971 0.808 6.279 1.00 0.00 C ATOM 195 CG LYS A 11 -12.365 1.074 6.790 1.00 0.00 C ATOM 196 CD LYS A 11 -12.578 0.414 8.139 1.00 0.00 C ATOM 197 CE LYS A 11 -13.926 0.776 8.726 1.00 0.00 C ATOM 198 NZ LYS A 11 -14.058 2.236 8.913 1.00 0.00 N ATOM 0 H LYS A 11 -11.465 -0.127 3.856 1.00 0.00 H new ATOM 0 HA LYS A 11 -10.809 2.517 4.970 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -10.830 -0.270 6.201 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -10.256 1.171 7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -12.527 2.148 6.876 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -13.097 0.697 6.076 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -12.505 -0.668 8.031 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -11.787 0.720 8.824 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -14.719 0.419 8.069 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -14.055 0.272 9.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -14.799 2.430 9.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -13.153 2.627 9.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -14.315 2.680 8.008 1.00 0.00 H new ATOM 212 N GLU A 12 -8.334 1.610 5.499 1.00 0.00 N ATOM 213 CA GLU A 12 -6.905 1.416 5.404 1.00 0.00 C ATOM 214 C GLU A 12 -6.403 1.016 6.780 1.00 0.00 C ATOM 215 O GLU A 12 -5.223 1.126 7.104 1.00 0.00 O ATOM 216 CB GLU A 12 -6.232 2.710 4.902 1.00 0.00 C ATOM 217 CG GLU A 12 -6.548 3.945 5.733 1.00 0.00 C ATOM 218 CD GLU A 12 -6.015 5.217 5.121 1.00 0.00 C ATOM 219 OE1 GLU A 12 -6.676 5.782 4.220 1.00 0.00 O ATOM 220 OE2 GLU A 12 -4.946 5.693 5.538 1.00 0.00 O ATOM 0 H GLU A 12 -8.621 2.103 6.345 1.00 0.00 H new ATOM 0 HA GLU A 12 -6.660 0.631 4.689 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -5.152 2.562 4.889 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -6.542 2.891 3.873 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -7.628 4.030 5.852 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -6.126 3.823 6.731 1.00 0.00 H new ATOM 227 N GLN A 13 -7.327 0.495 7.565 1.00 0.00 N ATOM 228 CA GLN A 13 -7.076 0.152 8.948 1.00 0.00 C ATOM 229 C GLN A 13 -6.591 -1.271 9.074 1.00 0.00 C ATOM 230 O GLN A 13 -5.616 -1.554 9.756 1.00 0.00 O ATOM 231 CB GLN A 13 -8.348 0.365 9.783 1.00 0.00 C ATOM 232 CG GLN A 13 -8.183 0.123 11.276 1.00 0.00 C ATOM 233 CD GLN A 13 -7.150 1.038 11.909 1.00 0.00 C ATOM 234 OE1 GLN A 13 -6.930 2.162 11.458 1.00 0.00 O ATOM 235 NE2 GLN A 13 -6.514 0.574 12.944 1.00 0.00 N ATOM 0 H GLN A 13 -8.279 0.297 7.257 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.292 0.807 9.327 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -8.697 1.386 9.632 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -9.127 -0.297 9.406 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -9.143 0.269 11.771 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -7.893 -0.915 11.442 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.721 -0.362 13.292 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.808 1.146 13.408 1.00 0.00 H new ATOM 244 N GLU A 14 -7.207 -2.129 8.330 1.00 0.00 N ATOM 245 CA GLU A 14 -6.975 -3.575 8.383 1.00 0.00 C ATOM 246 C GLU A 14 -5.686 -4.007 7.695 1.00 0.00 C ATOM 247 O GLU A 14 -5.502 -5.172 7.375 1.00 0.00 O ATOM 248 CB GLU A 14 -8.163 -4.298 7.782 1.00 0.00 C ATOM 249 CG GLU A 14 -9.404 -4.237 8.645 1.00 0.00 C ATOM 250 CD GLU A 14 -9.235 -5.029 9.905 1.00 0.00 C ATOM 251 OE1 GLU A 14 -9.329 -6.266 9.843 1.00 0.00 O ATOM 252 OE2 GLU A 14 -9.000 -4.445 10.984 1.00 0.00 O ATOM 0 H GLU A 14 -7.910 -1.858 7.642 1.00 0.00 H new ATOM 0 HA GLU A 14 -6.860 -3.843 9.433 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -8.386 -3.866 6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -7.897 -5.342 7.615 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -9.625 -3.199 8.893 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -10.257 -4.620 8.085 1.00 0.00 H new ATOM 259 N ILE A 15 -4.787 -3.090 7.522 1.00 0.00 N ATOM 260 CA ILE A 15 -3.540 -3.376 6.883 1.00 0.00 C ATOM 261 C ILE A 15 -2.518 -3.734 7.942 1.00 0.00 C ATOM 262 O ILE A 15 -1.611 -4.555 7.715 1.00 0.00 O ATOM 263 CB ILE A 15 -3.066 -2.163 6.006 1.00 0.00 C ATOM 264 CG1 ILE A 15 -2.738 -0.898 6.844 1.00 0.00 C ATOM 265 CG2 ILE A 15 -4.127 -1.829 4.968 1.00 0.00 C ATOM 266 CD1 ILE A 15 -1.287 -0.780 7.299 1.00 0.00 C ATOM 0 H ILE A 15 -4.896 -2.121 7.820 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.660 -4.223 6.207 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.141 -2.470 5.518 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.991 -0.016 6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.380 -0.888 7.725 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.792 -0.987 4.363 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.293 -2.694 4.326 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -5.058 -1.567 5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -1.160 0.136 7.876 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.029 -1.639 7.919 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.633 -0.753 6.427 1.00 0.00 H new ATOM 278 N LYS A 16 -2.734 -3.174 9.126 1.00 0.00 N ATOM 279 CA LYS A 16 -1.804 -3.292 10.223 1.00 0.00 C ATOM 280 C LYS A 16 -1.685 -4.704 10.747 1.00 0.00 C ATOM 281 O LYS A 16 -0.593 -5.193 10.971 1.00 0.00 O ATOM 282 CB LYS A 16 -2.104 -2.270 11.329 1.00 0.00 C ATOM 283 CG LYS A 16 -3.503 -2.350 11.918 1.00 0.00 C ATOM 284 CD LYS A 16 -3.767 -1.212 12.890 1.00 0.00 C ATOM 285 CE LYS A 16 -2.893 -1.296 14.126 1.00 0.00 C ATOM 286 NZ LYS A 16 -3.077 -0.132 15.019 1.00 0.00 N ATOM 0 H LYS A 16 -3.565 -2.625 9.345 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.818 -3.050 9.826 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.380 -2.404 12.133 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -1.952 -1.268 10.927 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -4.239 -2.321 11.114 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.628 -3.304 12.431 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.592 -0.260 12.388 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.816 -1.227 13.188 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.125 -2.211 14.672 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -1.847 -1.360 13.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -2.460 -0.232 15.851 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.831 0.740 14.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -4.069 -0.084 15.327 1.00 0.00 H new ATOM 300 N LYS A 17 -2.791 -5.369 10.863 1.00 0.00 N ATOM 301 CA LYS A 17 -2.785 -6.725 11.369 1.00 0.00 C ATOM 302 C LYS A 17 -2.728 -7.710 10.205 1.00 0.00 C ATOM 303 O LYS A 17 -2.691 -8.926 10.384 1.00 0.00 O ATOM 304 CB LYS A 17 -4.021 -6.975 12.247 1.00 0.00 C ATOM 305 CG LYS A 17 -4.030 -8.320 12.948 1.00 0.00 C ATOM 306 CD LYS A 17 -5.251 -8.494 13.814 1.00 0.00 C ATOM 307 CE LYS A 17 -5.200 -9.816 14.560 1.00 0.00 C ATOM 308 NZ LYS A 17 -3.939 -9.963 15.328 1.00 0.00 N ATOM 0 H LYS A 17 -3.712 -5.006 10.618 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.901 -6.873 11.989 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.084 -6.187 12.998 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.914 -6.896 11.627 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.995 -9.117 12.205 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.134 -8.416 13.561 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.317 -7.672 14.526 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.149 -8.454 13.197 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.050 -9.884 15.239 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.292 -10.638 13.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.061 -10.692 16.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.171 -10.244 14.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -3.699 -9.057 15.778 1.00 0.00 H new ATOM 322 N LYS A 18 -2.703 -7.191 9.011 1.00 0.00 N ATOM 323 CA LYS A 18 -2.674 -8.038 7.859 1.00 0.00 C ATOM 324 C LYS A 18 -1.224 -8.414 7.563 1.00 0.00 C ATOM 325 O LYS A 18 -0.834 -9.569 7.725 1.00 0.00 O ATOM 326 CB LYS A 18 -3.300 -7.339 6.670 1.00 0.00 C ATOM 327 CG LYS A 18 -3.761 -8.267 5.557 1.00 0.00 C ATOM 328 CD LYS A 18 -5.020 -9.053 5.934 1.00 0.00 C ATOM 329 CE LYS A 18 -6.186 -8.118 6.273 1.00 0.00 C ATOM 330 NZ LYS A 18 -7.456 -8.843 6.459 1.00 0.00 N ATOM 0 H LYS A 18 -2.702 -6.190 8.813 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.252 -8.942 8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.154 -6.757 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -2.578 -6.633 6.260 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -3.957 -7.682 4.658 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -2.960 -8.965 5.315 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -5.304 -9.705 5.108 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.807 -9.695 6.789 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.951 -7.564 7.182 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.303 -7.385 5.475 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -8.212 -8.166 6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -7.697 -9.351 5.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -7.356 -9.524 7.238 1.00 0.00 H new ATOM 344 N PHE A 19 -0.409 -7.422 7.202 1.00 0.00 N ATOM 345 CA PHE A 19 1.005 -7.681 6.915 1.00 0.00 C ATOM 346 C PHE A 19 1.729 -7.800 8.253 1.00 0.00 C ATOM 347 O PHE A 19 2.720 -8.513 8.368 1.00 0.00 O ATOM 348 CB PHE A 19 1.622 -6.533 6.060 1.00 0.00 C ATOM 349 CG PHE A 19 2.957 -6.848 5.389 1.00 0.00 C ATOM 350 CD1 PHE A 19 4.127 -6.925 6.119 1.00 0.00 C ATOM 351 CD2 PHE A 19 3.032 -7.023 4.019 1.00 0.00 C ATOM 352 CE1 PHE A 19 5.337 -7.169 5.508 1.00 0.00 C ATOM 353 CE2 PHE A 19 4.249 -7.254 3.403 1.00 0.00 C ATOM 354 CZ PHE A 19 5.405 -7.327 4.150 1.00 0.00 C ATOM 0 H PHE A 19 -0.695 -6.448 7.102 1.00 0.00 H new ATOM 0 HA PHE A 19 1.109 -8.600 6.338 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.905 -6.255 5.287 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.755 -5.660 6.700 1.00 0.00 H new ATOM 0 HD1 PHE A 19 4.092 -6.791 7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.132 -6.979 3.424 1.00 0.00 H new ATOM 0 HE1 PHE A 19 6.236 -7.236 6.103 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.293 -7.378 2.331 1.00 0.00 H new ATOM 0 HZ PHE A 19 6.355 -7.507 3.669 1.00 0.00 H new ATOM 364 N LYS A 20 1.148 -7.144 9.270 1.00 0.00 N ATOM 365 CA LYS A 20 1.685 -7.082 10.633 1.00 0.00 C ATOM 366 C LYS A 20 2.949 -6.279 10.658 1.00 0.00 C ATOM 367 O LYS A 20 4.053 -6.801 10.476 1.00 0.00 O ATOM 368 CB LYS A 20 1.880 -8.464 11.263 1.00 0.00 C ATOM 369 CG LYS A 20 0.604 -9.267 11.435 1.00 0.00 C ATOM 370 CD LYS A 20 0.922 -10.714 11.772 1.00 0.00 C ATOM 371 CE LYS A 20 1.627 -11.402 10.610 1.00 0.00 C ATOM 372 NZ LYS A 20 0.760 -11.486 9.414 1.00 0.00 N ATOM 0 H LYS A 20 0.273 -6.632 9.162 1.00 0.00 H new ATOM 0 HA LYS A 20 0.940 -6.579 11.250 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.573 -9.036 10.645 1.00 0.00 H new ATOM 0 HB3 LYS A 20 2.350 -8.341 12.239 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.003 -8.829 12.227 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.014 -9.223 10.519 1.00 0.00 H new ATOM 0 HD2 LYS A 20 1.553 -10.754 12.660 1.00 0.00 H new ATOM 0 HD3 LYS A 20 0.001 -11.247 12.010 1.00 0.00 H new ATOM 0 HE2 LYS A 20 2.537 -10.855 10.362 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.930 -12.405 10.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.171 -12.157 8.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.187 -11.813 9.694 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 0.685 -10.547 8.973 1.00 0.00 H new ATOM 386 N LEU A 21 2.783 -4.995 10.834 1.00 0.00 N ATOM 387 CA LEU A 21 3.901 -4.096 10.788 1.00 0.00 C ATOM 388 C LEU A 21 4.388 -3.798 12.177 1.00 0.00 C ATOM 389 O LEU A 21 5.534 -3.420 12.373 1.00 0.00 O ATOM 390 CB LEU A 21 3.549 -2.783 10.066 1.00 0.00 C ATOM 391 CG LEU A 21 2.976 -2.889 8.623 1.00 0.00 C ATOM 392 CD1 LEU A 21 3.747 -3.891 7.825 1.00 0.00 C ATOM 393 CD2 LEU A 21 1.476 -3.200 8.571 1.00 0.00 C ATOM 0 H LEU A 21 1.883 -4.550 11.011 1.00 0.00 H new ATOM 0 HA LEU A 21 4.692 -4.588 10.223 1.00 0.00 H new ATOM 0 HB2 LEU A 21 2.824 -2.247 10.678 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.449 -2.169 10.027 1.00 0.00 H new ATOM 0 HG LEU A 21 3.092 -1.899 8.181 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.332 -3.952 6.819 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.792 -3.585 7.769 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.680 -4.868 8.305 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.152 -3.258 7.532 1.00 0.00 H new ATOM 0 HD22 LEU A 21 1.285 -4.153 9.064 1.00 0.00 H new ATOM 0 HD23 LEU A 21 0.923 -2.411 9.080 1.00 0.00 H new ATOM 405 N THR A 22 3.481 -3.924 13.128 1.00 0.00 N ATOM 406 CA THR A 22 3.691 -3.725 14.569 1.00 0.00 C ATOM 407 C THR A 22 3.914 -2.247 14.972 1.00 0.00 C ATOM 408 O THR A 22 3.493 -1.806 16.054 1.00 0.00 O ATOM 409 CB THR A 22 4.733 -4.710 15.220 1.00 0.00 C ATOM 410 OG1 THR A 22 6.049 -4.600 14.631 1.00 0.00 O ATOM 411 CG2 THR A 22 4.253 -6.138 15.064 1.00 0.00 C ATOM 0 H THR A 22 2.518 -4.183 12.913 1.00 0.00 H new ATOM 0 HA THR A 22 2.735 -4.005 15.011 1.00 0.00 H new ATOM 0 HB THR A 22 4.811 -4.435 16.272 1.00 0.00 H new ATOM 0 HG1 THR A 22 6.058 -3.863 13.985 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.977 -6.817 15.516 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.289 -6.254 15.559 1.00 0.00 H new ATOM 0 HG23 THR A 22 4.148 -6.373 14.005 1.00 0.00 H new ATOM 419 N GLY A 23 4.521 -1.496 14.095 1.00 0.00 N ATOM 420 CA GLY A 23 4.743 -0.102 14.299 1.00 0.00 C ATOM 421 C GLY A 23 4.572 0.629 12.993 1.00 0.00 C ATOM 422 O GLY A 23 4.289 -0.018 11.973 1.00 0.00 O ATOM 0 H GLY A 23 4.879 -1.846 13.206 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.042 0.284 15.039 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.746 0.064 14.693 1.00 0.00 H new ATOM 426 N PRO A 24 4.709 1.960 12.969 1.00 0.00 N ATOM 427 CA PRO A 24 4.603 2.732 11.736 1.00 0.00 C ATOM 428 C PRO A 24 5.836 2.517 10.870 1.00 0.00 C ATOM 429 O PRO A 24 6.830 1.927 11.326 1.00 0.00 O ATOM 430 CB PRO A 24 4.543 4.183 12.226 1.00 0.00 C ATOM 431 CG PRO A 24 5.267 4.162 13.523 1.00 0.00 C ATOM 432 CD PRO A 24 4.981 2.819 14.134 1.00 0.00 C ATOM 0 HA PRO A 24 3.743 2.450 11.128 1.00 0.00 H new ATOM 0 HB2 PRO A 24 5.016 4.862 11.517 1.00 0.00 H new ATOM 0 HB3 PRO A 24 3.513 4.519 12.350 1.00 0.00 H new ATOM 0 HG2 PRO A 24 6.338 4.303 13.375 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.926 4.967 14.173 1.00 0.00 H new ATOM 0 HD2 PRO A 24 5.829 2.453 14.713 1.00 0.00 H new ATOM 0 HD3 PRO A 24 4.127 2.860 14.810 1.00 0.00 H new ATOM 440 N ILE A 25 5.794 2.972 9.655 1.00 0.00 N ATOM 441 CA ILE A 25 6.903 2.791 8.754 1.00 0.00 C ATOM 442 C ILE A 25 6.906 3.873 7.657 1.00 0.00 C ATOM 443 O ILE A 25 5.847 4.209 7.093 1.00 0.00 O ATOM 444 CB ILE A 25 6.895 1.343 8.143 1.00 0.00 C ATOM 445 CG1 ILE A 25 8.114 1.091 7.256 1.00 0.00 C ATOM 446 CG2 ILE A 25 5.600 1.036 7.397 1.00 0.00 C ATOM 447 CD1 ILE A 25 9.430 1.157 8.000 1.00 0.00 C ATOM 0 H ILE A 25 5.001 3.475 9.258 1.00 0.00 H new ATOM 0 HA ILE A 25 7.827 2.903 9.322 1.00 0.00 H new ATOM 0 HB ILE A 25 6.952 0.655 8.986 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.018 0.110 6.791 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.125 1.825 6.451 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.644 0.024 6.994 1.00 0.00 H new ATOM 0 HG22 ILE A 25 4.757 1.117 8.083 1.00 0.00 H new ATOM 0 HG23 ILE A 25 5.473 1.747 6.581 1.00 0.00 H new ATOM 0 HD11 ILE A 25 10.250 0.968 7.307 1.00 0.00 H new ATOM 0 HD12 ILE A 25 9.549 2.146 8.442 1.00 0.00 H new ATOM 0 HD13 ILE A 25 9.441 0.404 8.788 1.00 0.00 H new ATOM 459 N GLN A 26 8.076 4.459 7.429 1.00 0.00 N ATOM 460 CA GLN A 26 8.281 5.461 6.389 1.00 0.00 C ATOM 461 C GLN A 26 8.458 4.748 5.052 1.00 0.00 C ATOM 462 O GLN A 26 8.577 3.525 5.023 1.00 0.00 O ATOM 463 CB GLN A 26 9.544 6.295 6.698 1.00 0.00 C ATOM 464 CG GLN A 26 10.849 5.507 6.603 1.00 0.00 C ATOM 465 CD GLN A 26 12.071 6.326 6.967 1.00 0.00 C ATOM 466 OE1 GLN A 26 12.680 6.984 6.122 1.00 0.00 O ATOM 467 NE2 GLN A 26 12.450 6.281 8.214 1.00 0.00 N ATOM 0 H GLN A 26 8.917 4.250 7.966 1.00 0.00 H new ATOM 0 HA GLN A 26 7.420 6.128 6.349 1.00 0.00 H new ATOM 0 HB2 GLN A 26 9.589 7.137 6.007 1.00 0.00 H new ATOM 0 HB3 GLN A 26 9.455 6.711 7.702 1.00 0.00 H new ATOM 0 HG2 GLN A 26 10.791 4.641 7.262 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.963 5.128 5.587 1.00 0.00 H new ATOM 0 HE21 GLN A 26 11.922 5.726 8.888 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.274 6.801 8.516 1.00 0.00 H new ATOM 476 N VAL A 27 8.502 5.479 3.964 1.00 0.00 N ATOM 477 CA VAL A 27 8.693 4.841 2.684 1.00 0.00 C ATOM 478 C VAL A 27 10.174 4.556 2.454 1.00 0.00 C ATOM 479 O VAL A 27 11.048 5.411 2.703 1.00 0.00 O ATOM 480 CB VAL A 27 8.082 5.646 1.497 1.00 0.00 C ATOM 481 CG1 VAL A 27 8.712 7.006 1.321 1.00 0.00 C ATOM 482 CG2 VAL A 27 8.187 4.870 0.219 1.00 0.00 C ATOM 0 H VAL A 27 8.410 6.495 3.937 1.00 0.00 H new ATOM 0 HA VAL A 27 8.147 3.898 2.715 1.00 0.00 H new ATOM 0 HB VAL A 27 7.033 5.805 1.745 1.00 0.00 H new ATOM 0 HG11 VAL A 27 8.245 7.517 0.480 1.00 0.00 H new ATOM 0 HG12 VAL A 27 8.569 7.594 2.228 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.779 6.891 1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.755 5.451 -0.596 1.00 0.00 H new ATOM 0 HG22 VAL A 27 9.236 4.666 0.002 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.647 3.928 0.320 1.00 0.00 H new ATOM 492 N ILE A 28 10.455 3.363 2.028 1.00 0.00 N ATOM 493 CA ILE A 28 11.820 2.935 1.779 1.00 0.00 C ATOM 494 C ILE A 28 12.228 3.243 0.343 1.00 0.00 C ATOM 495 O ILE A 28 13.350 3.696 0.095 1.00 0.00 O ATOM 496 CB ILE A 28 12.054 1.400 2.130 1.00 0.00 C ATOM 497 CG1 ILE A 28 12.160 1.146 3.653 1.00 0.00 C ATOM 498 CG2 ILE A 28 13.297 0.842 1.449 1.00 0.00 C ATOM 499 CD1 ILE A 28 10.932 1.462 4.462 1.00 0.00 C ATOM 0 H ILE A 28 9.752 2.649 1.839 1.00 0.00 H new ATOM 0 HA ILE A 28 12.461 3.506 2.451 1.00 0.00 H new ATOM 0 HB ILE A 28 11.173 0.882 1.752 1.00 0.00 H new ATOM 0 HG12 ILE A 28 12.414 0.098 3.809 1.00 0.00 H new ATOM 0 HG13 ILE A 28 12.989 1.736 4.043 1.00 0.00 H new ATOM 0 HG21 ILE A 28 13.418 -0.208 1.716 1.00 0.00 H new ATOM 0 HG22 ILE A 28 13.191 0.931 0.368 1.00 0.00 H new ATOM 0 HG23 ILE A 28 14.173 1.403 1.775 1.00 0.00 H new ATOM 0 HD11 ILE A 28 11.123 1.245 5.513 1.00 0.00 H new ATOM 0 HD12 ILE A 28 10.683 2.517 4.348 1.00 0.00 H new ATOM 0 HD13 ILE A 28 10.099 0.853 4.112 1.00 0.00 H new ATOM 511 N HIS A 29 11.300 3.068 -0.585 1.00 0.00 N ATOM 512 CA HIS A 29 11.561 3.246 -2.025 1.00 0.00 C ATOM 513 C HIS A 29 10.272 3.424 -2.730 1.00 0.00 C ATOM 514 O HIS A 29 9.214 3.197 -2.155 1.00 0.00 O ATOM 515 CB HIS A 29 12.232 2.017 -2.673 1.00 0.00 C ATOM 516 CG HIS A 29 13.684 1.816 -2.398 1.00 0.00 C ATOM 517 ND1 HIS A 29 14.197 0.660 -1.844 1.00 0.00 N ATOM 518 CD2 HIS A 29 14.750 2.597 -2.679 1.00 0.00 C ATOM 519 CE1 HIS A 29 15.509 0.746 -1.801 1.00 0.00 C ATOM 520 NE2 HIS A 29 15.873 1.909 -2.304 1.00 0.00 N ATOM 0 H HIS A 29 10.340 2.798 -0.372 1.00 0.00 H new ATOM 0 HA HIS A 29 12.223 4.107 -2.112 1.00 0.00 H new ATOM 0 HB2 HIS A 29 11.698 1.126 -2.343 1.00 0.00 H new ATOM 0 HB3 HIS A 29 12.098 2.087 -3.752 1.00 0.00 H new ATOM 0 HD2 HIS A 29 14.722 3.583 -3.119 1.00 0.00 H new ATOM 0 HE1 HIS A 29 16.177 -0.011 -1.417 1.00 0.00 H new ATOM 0 HE2 HIS A 29 16.833 2.241 -2.398 1.00 0.00 H new ATOM 529 N LEU A 30 10.342 3.761 -3.964 1.00 0.00 N ATOM 530 CA LEU A 30 9.180 3.863 -4.756 1.00 0.00 C ATOM 531 C LEU A 30 9.216 2.772 -5.785 1.00 0.00 C ATOM 532 O LEU A 30 10.246 2.485 -6.365 1.00 0.00 O ATOM 533 CB LEU A 30 8.992 5.247 -5.407 1.00 0.00 C ATOM 534 CG LEU A 30 8.759 6.452 -4.462 1.00 0.00 C ATOM 535 CD1 LEU A 30 10.010 6.837 -3.690 1.00 0.00 C ATOM 536 CD2 LEU A 30 8.231 7.635 -5.235 1.00 0.00 C ATOM 0 H LEU A 30 11.211 3.974 -4.453 1.00 0.00 H new ATOM 0 HA LEU A 30 8.314 3.746 -4.104 1.00 0.00 H new ATOM 0 HB2 LEU A 30 9.874 5.458 -6.011 1.00 0.00 H new ATOM 0 HB3 LEU A 30 8.145 5.186 -6.090 1.00 0.00 H new ATOM 0 HG LEU A 30 8.015 6.142 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 30 9.791 7.687 -3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 30 10.337 5.993 -3.083 1.00 0.00 H new ATOM 0 HD13 LEU A 30 10.800 7.108 -4.390 1.00 0.00 H new ATOM 0 HD21 LEU A 30 8.073 8.472 -4.555 1.00 0.00 H new ATOM 0 HD22 LEU A 30 8.952 7.920 -6.001 1.00 0.00 H new ATOM 0 HD23 LEU A 30 7.286 7.368 -5.708 1.00 0.00 H new ATOM 548 N ALA A 31 8.138 2.115 -5.901 1.00 0.00 N ATOM 549 CA ALA A 31 7.957 1.058 -6.859 1.00 0.00 C ATOM 550 C ALA A 31 7.103 1.492 -8.024 1.00 0.00 C ATOM 551 O ALA A 31 6.389 2.492 -7.976 1.00 0.00 O ATOM 552 CB ALA A 31 7.343 -0.179 -6.217 1.00 0.00 C ATOM 0 H ALA A 31 7.316 2.287 -5.322 1.00 0.00 H new ATOM 0 HA ALA A 31 8.951 0.810 -7.231 1.00 0.00 H new ATOM 0 HB1 ALA A 31 7.221 -0.957 -6.970 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.998 -0.541 -5.425 1.00 0.00 H new ATOM 0 HB3 ALA A 31 6.370 0.074 -5.796 1.00 0.00 H new ATOM 558 N LYS A 32 7.205 0.753 -9.060 1.00 0.00 N ATOM 559 CA LYS A 32 6.420 0.924 -10.230 1.00 0.00 C ATOM 560 C LYS A 32 5.411 -0.181 -10.287 1.00 0.00 C ATOM 561 O LYS A 32 5.770 -1.346 -10.101 1.00 0.00 O ATOM 562 CB LYS A 32 7.313 0.837 -11.456 1.00 0.00 C ATOM 563 CG LYS A 32 6.573 0.847 -12.788 1.00 0.00 C ATOM 564 CD LYS A 32 7.510 0.606 -13.953 1.00 0.00 C ATOM 565 CE LYS A 32 8.586 1.670 -14.057 1.00 0.00 C ATOM 566 NZ LYS A 32 9.504 1.390 -15.176 1.00 0.00 N ATOM 0 H LYS A 32 7.865 -0.022 -9.124 1.00 0.00 H new ATOM 0 HA LYS A 32 5.925 1.895 -10.208 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.012 1.673 -11.439 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.906 -0.076 -11.392 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.799 0.080 -12.780 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.071 1.806 -12.918 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.979 -0.372 -13.843 1.00 0.00 H new ATOM 0 HD3 LYS A 32 6.936 0.582 -14.879 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.123 2.647 -14.198 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.148 1.715 -13.124 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.230 2.133 -15.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 9.962 0.468 -15.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.969 1.371 -16.068 1.00 0.00 H new ATOM 580 N ALA A 33 4.167 0.160 -10.475 1.00 0.00 N ATOM 581 CA ALA A 33 3.173 -0.830 -10.731 1.00 0.00 C ATOM 582 C ALA A 33 3.355 -1.322 -12.138 1.00 0.00 C ATOM 583 O ALA A 33 3.010 -0.631 -13.093 1.00 0.00 O ATOM 584 CB ALA A 33 1.795 -0.264 -10.588 1.00 0.00 C ATOM 0 H ALA A 33 3.822 1.120 -10.455 1.00 0.00 H new ATOM 0 HA ALA A 33 3.285 -1.640 -10.011 1.00 0.00 H new ATOM 0 HB1 ALA A 33 1.059 -1.043 -10.789 1.00 0.00 H new ATOM 0 HB2 ALA A 33 1.659 0.110 -9.573 1.00 0.00 H new ATOM 0 HB3 ALA A 33 1.662 0.553 -11.297 1.00 0.00 H new ATOM 590 N CYS A 34 3.935 -2.465 -12.266 1.00 0.00 N ATOM 591 CA CYS A 34 4.157 -3.060 -13.564 1.00 0.00 C ATOM 592 C CYS A 34 2.938 -3.860 -14.009 1.00 0.00 C ATOM 593 O CYS A 34 2.889 -4.380 -15.135 1.00 0.00 O ATOM 594 CB CYS A 34 5.419 -3.906 -13.542 1.00 0.00 C ATOM 595 SG CYS A 34 6.878 -2.954 -13.077 1.00 0.00 S ATOM 0 H CYS A 34 4.273 -3.023 -11.482 1.00 0.00 H new ATOM 0 HA CYS A 34 4.302 -2.268 -14.298 1.00 0.00 H new ATOM 0 HB2 CYS A 34 5.288 -4.730 -12.841 1.00 0.00 H new ATOM 0 HB3 CYS A 34 5.575 -4.347 -14.527 1.00 0.00 H new ATOM 0 HG CYS A 34 7.925 -3.448 -13.668 1.00 0.00 H new ATOM 601 N CYS A 35 1.972 -3.957 -13.123 1.00 0.00 N ATOM 602 CA CYS A 35 0.743 -4.647 -13.379 1.00 0.00 C ATOM 603 C CYS A 35 -0.434 -3.810 -12.918 1.00 0.00 C ATOM 604 O CYS A 35 -0.354 -3.115 -11.911 1.00 0.00 O ATOM 605 CB CYS A 35 0.728 -5.992 -12.655 1.00 0.00 C ATOM 606 SG CYS A 35 2.000 -7.149 -13.195 1.00 0.00 S ATOM 0 H CYS A 35 2.027 -3.549 -12.190 1.00 0.00 H new ATOM 0 HA CYS A 35 0.662 -4.819 -14.452 1.00 0.00 H new ATOM 0 HB2 CYS A 35 0.846 -5.816 -11.586 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -0.249 -6.455 -12.796 1.00 0.00 H new ATOM 0 HG CYS A 35 1.981 -8.202 -12.433 1.00 0.00 H new ATOM 612 N ASP A 36 -1.478 -3.825 -13.692 1.00 0.00 N ATOM 613 CA ASP A 36 -2.738 -3.197 -13.333 1.00 0.00 C ATOM 614 C ASP A 36 -3.619 -4.222 -12.618 1.00 0.00 C ATOM 615 O ASP A 36 -4.242 -5.098 -13.228 1.00 0.00 O ATOM 616 CB ASP A 36 -3.448 -2.583 -14.577 1.00 0.00 C ATOM 617 CG ASP A 36 -3.846 -3.582 -15.668 1.00 0.00 C ATOM 618 OD1 ASP A 36 -2.983 -4.355 -16.153 1.00 0.00 O ATOM 619 OD2 ASP A 36 -5.016 -3.556 -16.119 1.00 0.00 O ATOM 0 H ASP A 36 -1.490 -4.277 -14.606 1.00 0.00 H new ATOM 0 HA ASP A 36 -2.545 -2.366 -12.655 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -4.344 -2.061 -14.242 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -2.789 -1.834 -15.017 1.00 0.00 H new ATOM 624 N VAL A 37 -3.623 -4.146 -11.324 1.00 0.00 N ATOM 625 CA VAL A 37 -4.333 -5.104 -10.507 1.00 0.00 C ATOM 626 C VAL A 37 -5.498 -4.422 -9.772 1.00 0.00 C ATOM 627 O VAL A 37 -5.433 -3.228 -9.449 1.00 0.00 O ATOM 628 CB VAL A 37 -3.361 -5.791 -9.505 1.00 0.00 C ATOM 629 CG1 VAL A 37 -2.911 -4.837 -8.455 1.00 0.00 C ATOM 630 CG2 VAL A 37 -3.946 -7.037 -8.881 1.00 0.00 C ATOM 0 H VAL A 37 -3.137 -3.421 -10.796 1.00 0.00 H new ATOM 0 HA VAL A 37 -4.749 -5.876 -11.154 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.494 -6.107 -10.085 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -2.233 -5.344 -7.769 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -2.394 -3.999 -8.922 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.776 -4.468 -7.904 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -3.223 -7.473 -8.191 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -4.855 -6.779 -8.338 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -4.182 -7.759 -9.663 1.00 0.00 H new ATOM 640 N LYS A 38 -6.544 -5.162 -9.507 1.00 0.00 N ATOM 641 CA LYS A 38 -7.694 -4.629 -8.799 1.00 0.00 C ATOM 642 C LYS A 38 -7.916 -5.396 -7.506 1.00 0.00 C ATOM 643 O LYS A 38 -9.048 -5.558 -7.031 1.00 0.00 O ATOM 644 CB LYS A 38 -8.979 -4.600 -9.681 1.00 0.00 C ATOM 645 CG LYS A 38 -9.426 -5.924 -10.320 1.00 0.00 C ATOM 646 CD LYS A 38 -8.585 -6.309 -11.533 1.00 0.00 C ATOM 647 CE LYS A 38 -9.078 -7.595 -12.181 1.00 0.00 C ATOM 648 NZ LYS A 38 -9.123 -8.714 -11.217 1.00 0.00 N ATOM 0 H LYS A 38 -6.629 -6.144 -9.771 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.477 -3.590 -8.552 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -9.800 -4.227 -9.069 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -8.823 -3.876 -10.480 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -9.368 -6.719 -9.576 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -10.471 -5.843 -10.619 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -8.611 -5.501 -12.264 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.545 -6.431 -11.230 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.072 -7.434 -12.597 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -8.423 -7.857 -13.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -8.793 -9.585 -11.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.508 -8.499 -10.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.100 -8.847 -10.885 1.00 0.00 H new ATOM 662 N GLY A 39 -6.827 -5.824 -6.908 1.00 0.00 N ATOM 663 CA GLY A 39 -6.928 -6.559 -5.678 1.00 0.00 C ATOM 664 C GLY A 39 -6.902 -8.051 -5.885 1.00 0.00 C ATOM 665 O GLY A 39 -7.843 -8.749 -5.536 1.00 0.00 O ATOM 0 H GLY A 39 -5.878 -5.677 -7.250 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -6.106 -6.274 -5.021 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.852 -6.283 -5.170 1.00 0.00 H new ATOM 669 N GLY A 40 -5.842 -8.534 -6.477 1.00 0.00 N ATOM 670 CA GLY A 40 -5.715 -9.949 -6.732 1.00 0.00 C ATOM 671 C GLY A 40 -5.088 -10.653 -5.558 1.00 0.00 C ATOM 672 O GLY A 40 -3.933 -10.372 -5.229 1.00 0.00 O ATOM 0 H GLY A 40 -5.053 -7.971 -6.793 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.697 -10.376 -6.934 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.108 -10.109 -7.623 1.00 0.00 H new ATOM 676 N LYS A 41 -5.844 -11.569 -4.947 1.00 0.00 N ATOM 677 CA LYS A 41 -5.437 -12.314 -3.734 1.00 0.00 C ATOM 678 C LYS A 41 -5.291 -11.370 -2.538 1.00 0.00 C ATOM 679 O LYS A 41 -4.435 -11.584 -1.671 1.00 0.00 O ATOM 680 CB LYS A 41 -4.124 -13.104 -3.959 1.00 0.00 C ATOM 681 CG LYS A 41 -4.200 -14.208 -5.013 1.00 0.00 C ATOM 682 CD LYS A 41 -5.161 -15.338 -4.622 1.00 0.00 C ATOM 683 CE LYS A 41 -4.740 -16.044 -3.329 1.00 0.00 C ATOM 684 NZ LYS A 41 -3.386 -16.650 -3.402 1.00 0.00 N ATOM 0 H LYS A 41 -6.774 -11.824 -5.280 1.00 0.00 H new ATOM 0 HA LYS A 41 -6.226 -13.034 -3.518 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -3.342 -12.402 -4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -3.820 -13.549 -3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -4.520 -13.777 -5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -3.204 -14.622 -5.171 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.165 -14.931 -4.500 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.209 -16.067 -5.431 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.766 -15.328 -2.508 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.466 -16.823 -3.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.196 -17.183 -2.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -3.337 -17.293 -4.218 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -2.675 -15.899 -3.511 1.00 0.00 H new ATOM 698 N ASN A 42 -6.187 -10.371 -2.472 1.00 0.00 N ATOM 699 CA ASN A 42 -6.159 -9.324 -1.434 1.00 0.00 C ATOM 700 C ASN A 42 -4.876 -8.498 -1.565 1.00 0.00 C ATOM 701 O ASN A 42 -3.823 -8.813 -0.990 1.00 0.00 O ATOM 702 CB ASN A 42 -6.412 -9.917 -0.020 1.00 0.00 C ATOM 703 CG ASN A 42 -6.227 -8.949 1.133 1.00 0.00 C ATOM 704 OD1 ASN A 42 -7.135 -8.203 1.509 1.00 0.00 O ATOM 705 ND2 ASN A 42 -5.086 -9.012 1.752 1.00 0.00 N ATOM 0 H ASN A 42 -6.953 -10.266 -3.137 1.00 0.00 H new ATOM 0 HA ASN A 42 -6.985 -8.629 -1.586 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.429 -10.308 0.015 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -5.740 -10.763 0.126 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.920 -8.434 2.576 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.357 -9.640 1.414 1.00 0.00 H new ATOM 712 N GLU A 43 -4.987 -7.466 -2.369 1.00 0.00 N ATOM 713 CA GLU A 43 -3.858 -6.688 -2.842 1.00 0.00 C ATOM 714 C GLU A 43 -4.215 -5.189 -2.772 1.00 0.00 C ATOM 715 O GLU A 43 -5.285 -4.812 -2.252 1.00 0.00 O ATOM 716 CB GLU A 43 -3.637 -7.053 -4.316 1.00 0.00 C ATOM 717 CG GLU A 43 -2.251 -6.798 -4.844 1.00 0.00 C ATOM 718 CD GLU A 43 -1.356 -7.978 -4.668 1.00 0.00 C ATOM 719 OE1 GLU A 43 -1.553 -8.792 -3.758 1.00 0.00 O ATOM 720 OE2 GLU A 43 -0.485 -8.168 -5.496 1.00 0.00 O ATOM 0 H GLU A 43 -5.884 -7.134 -2.722 1.00 0.00 H new ATOM 0 HA GLU A 43 -2.972 -6.890 -2.239 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.870 -8.109 -4.450 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -4.347 -6.491 -4.922 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -2.308 -6.542 -5.902 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -1.821 -5.938 -4.331 1.00 0.00 H new ATOM 727 N LEU A 44 -3.345 -4.355 -3.302 1.00 0.00 N ATOM 728 CA LEU A 44 -3.609 -2.944 -3.437 1.00 0.00 C ATOM 729 C LEU A 44 -4.142 -2.773 -4.842 1.00 0.00 C ATOM 730 O LEU A 44 -3.801 -3.544 -5.728 1.00 0.00 O ATOM 731 CB LEU A 44 -2.275 -2.169 -3.372 1.00 0.00 C ATOM 732 CG LEU A 44 -2.312 -0.728 -2.795 1.00 0.00 C ATOM 733 CD1 LEU A 44 -0.953 -0.166 -2.778 1.00 0.00 C ATOM 734 CD2 LEU A 44 -3.205 0.212 -3.555 1.00 0.00 C ATOM 0 H LEU A 44 -2.431 -4.642 -3.652 1.00 0.00 H new ATOM 0 HA LEU A 44 -4.288 -2.589 -2.662 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.575 -2.753 -2.774 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -1.866 -2.117 -4.381 1.00 0.00 H new ATOM 0 HG LEU A 44 -2.723 -0.820 -1.790 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -0.983 0.845 -2.373 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.310 -0.788 -2.155 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.558 -0.138 -3.794 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.176 1.197 -3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -2.860 0.287 -4.586 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.227 -0.166 -3.541 1.00 0.00 H new ATOM 746 N SER A 45 -5.006 -1.834 -5.038 1.00 0.00 N ATOM 747 CA SER A 45 -5.504 -1.600 -6.344 1.00 0.00 C ATOM 748 C SER A 45 -4.723 -0.466 -7.000 1.00 0.00 C ATOM 749 O SER A 45 -4.744 0.690 -6.528 1.00 0.00 O ATOM 750 CB SER A 45 -7.002 -1.343 -6.311 1.00 0.00 C ATOM 751 OG SER A 45 -7.670 -2.386 -5.600 1.00 0.00 O ATOM 0 H SER A 45 -5.378 -1.221 -4.312 1.00 0.00 H new ATOM 0 HA SER A 45 -5.359 -2.491 -6.955 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.202 -0.383 -5.835 1.00 0.00 H new ATOM 0 HB3 SER A 45 -7.389 -1.281 -7.328 1.00 0.00 H new ATOM 0 HG SER A 45 -8.633 -2.207 -5.585 1.00 0.00 H new ATOM 757 N PHE A 46 -4.032 -0.807 -8.052 1.00 0.00 N ATOM 758 CA PHE A 46 -3.185 0.102 -8.764 1.00 0.00 C ATOM 759 C PHE A 46 -3.176 -0.233 -10.226 1.00 0.00 C ATOM 760 O PHE A 46 -3.494 -1.356 -10.617 1.00 0.00 O ATOM 761 CB PHE A 46 -1.750 0.104 -8.186 1.00 0.00 C ATOM 762 CG PHE A 46 -1.133 -1.252 -7.966 1.00 0.00 C ATOM 763 CD1 PHE A 46 -0.503 -1.925 -8.990 1.00 0.00 C ATOM 764 CD2 PHE A 46 -1.160 -1.828 -6.720 1.00 0.00 C ATOM 765 CE1 PHE A 46 0.088 -3.151 -8.777 1.00 0.00 C ATOM 766 CE2 PHE A 46 -0.573 -3.049 -6.496 1.00 0.00 C ATOM 767 CZ PHE A 46 0.056 -3.713 -7.528 1.00 0.00 C ATOM 0 H PHE A 46 -4.044 -1.748 -8.446 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.587 1.108 -8.642 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -1.107 0.670 -8.860 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -1.762 0.636 -7.235 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -0.472 -1.484 -9.975 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -1.649 -1.314 -5.906 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.575 -3.667 -9.591 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -0.604 -3.490 -5.511 1.00 0.00 H new ATOM 0 HZ PHE A 46 0.521 -4.672 -7.352 1.00 0.00 H new ATOM 777 N LYS A 47 -2.816 0.719 -11.011 1.00 0.00 N ATOM 778 CA LYS A 47 -2.774 0.574 -12.427 1.00 0.00 C ATOM 779 C LYS A 47 -1.341 0.533 -12.850 1.00 0.00 C ATOM 780 O LYS A 47 -0.490 0.998 -12.126 1.00 0.00 O ATOM 781 CB LYS A 47 -3.485 1.753 -13.085 1.00 0.00 C ATOM 782 CG LYS A 47 -4.987 1.800 -12.836 1.00 0.00 C ATOM 783 CD LYS A 47 -5.644 3.052 -13.431 1.00 0.00 C ATOM 784 CE LYS A 47 -5.583 4.291 -12.509 1.00 0.00 C ATOM 785 NZ LYS A 47 -4.214 4.737 -12.147 1.00 0.00 N ATOM 0 H LYS A 47 -2.536 1.643 -10.682 1.00 0.00 H new ATOM 0 HA LYS A 47 -3.276 -0.344 -12.731 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -3.040 2.679 -12.722 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -3.308 1.714 -14.160 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -5.451 0.912 -13.265 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -5.175 1.771 -11.763 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -5.157 3.291 -14.377 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -6.687 2.830 -13.656 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -6.100 5.116 -12.999 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -6.131 4.071 -11.593 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -4.259 5.684 -11.719 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -3.800 4.069 -11.466 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -3.623 4.771 -13.002 1.00 0.00 H new ATOM 799 N GLN A 48 -1.074 -0.043 -13.985 1.00 0.00 N ATOM 800 CA GLN A 48 0.268 -0.088 -14.528 1.00 0.00 C ATOM 801 C GLN A 48 0.735 1.366 -14.708 1.00 0.00 C ATOM 802 O GLN A 48 0.098 2.147 -15.421 1.00 0.00 O ATOM 803 CB GLN A 48 0.240 -0.881 -15.865 1.00 0.00 C ATOM 804 CG GLN A 48 1.586 -1.442 -16.378 1.00 0.00 C ATOM 805 CD GLN A 48 2.526 -0.460 -17.075 1.00 0.00 C ATOM 806 OE1 GLN A 48 2.562 0.730 -16.801 1.00 0.00 O ATOM 807 NE2 GLN A 48 3.291 -0.961 -17.990 1.00 0.00 N ATOM 0 H GLN A 48 -1.776 -0.498 -14.568 1.00 0.00 H new ATOM 0 HA GLN A 48 0.970 -0.599 -13.869 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -0.452 -1.715 -15.749 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -0.171 -0.230 -16.636 1.00 0.00 H new ATOM 0 HG2 GLN A 48 2.117 -1.876 -15.531 1.00 0.00 H new ATOM 0 HG3 GLN A 48 1.372 -2.256 -17.071 1.00 0.00 H new ATOM 0 HE21 GLN A 48 3.245 -1.957 -18.204 1.00 0.00 H new ATOM 0 HE22 GLN A 48 3.940 -0.360 -18.498 1.00 0.00 H new ATOM 816 N GLY A 49 1.799 1.728 -14.019 1.00 0.00 N ATOM 817 CA GLY A 49 2.289 3.093 -14.050 1.00 0.00 C ATOM 818 C GLY A 49 1.636 3.953 -12.977 1.00 0.00 C ATOM 819 O GLY A 49 1.517 5.166 -13.123 1.00 0.00 O ATOM 0 H GLY A 49 2.342 1.096 -13.430 1.00 0.00 H new ATOM 0 HA2 GLY A 49 3.370 3.094 -13.909 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.095 3.527 -15.031 1.00 0.00 H new ATOM 823 N GLU A 50 1.193 3.309 -11.916 1.00 0.00 N ATOM 824 CA GLU A 50 0.519 3.981 -10.803 1.00 0.00 C ATOM 825 C GLU A 50 1.521 4.748 -9.953 1.00 0.00 C ATOM 826 O GLU A 50 1.235 5.857 -9.468 1.00 0.00 O ATOM 827 CB GLU A 50 -0.135 2.930 -9.915 1.00 0.00 C ATOM 828 CG GLU A 50 -1.120 3.467 -8.913 1.00 0.00 C ATOM 829 CD GLU A 50 -2.304 4.076 -9.592 1.00 0.00 C ATOM 830 OE1 GLU A 50 -3.092 3.334 -10.205 1.00 0.00 O ATOM 831 OE2 GLU A 50 -2.472 5.298 -9.522 1.00 0.00 O ATOM 0 H GLU A 50 1.287 2.301 -11.793 1.00 0.00 H new ATOM 0 HA GLU A 50 -0.219 4.671 -11.211 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.645 2.206 -10.550 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.647 2.391 -9.380 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.449 2.662 -8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.634 4.214 -8.285 1.00 0.00 H new ATOM 838 N GLN A 51 2.684 4.143 -9.822 1.00 0.00 N ATOM 839 CA GLN A 51 3.776 4.575 -8.934 1.00 0.00 C ATOM 840 C GLN A 51 3.381 4.281 -7.486 1.00 0.00 C ATOM 841 O GLN A 51 2.476 4.912 -6.920 1.00 0.00 O ATOM 842 CB GLN A 51 4.182 6.055 -9.135 1.00 0.00 C ATOM 843 CG GLN A 51 5.343 6.508 -8.257 1.00 0.00 C ATOM 844 CD GLN A 51 5.737 7.961 -8.475 1.00 0.00 C ATOM 845 OE1 GLN A 51 4.780 8.814 -8.778 1.00 0.00 O flip ATOM 846 NE2 GLN A 51 6.906 8.323 -8.329 1.00 0.00 N flip ATOM 0 H GLN A 51 2.917 3.300 -10.348 1.00 0.00 H new ATOM 0 HA GLN A 51 4.669 4.006 -9.193 1.00 0.00 H new ATOM 0 HB2 GLN A 51 4.450 6.208 -10.180 1.00 0.00 H new ATOM 0 HB3 GLN A 51 3.318 6.688 -8.932 1.00 0.00 H new ATOM 0 HG2 GLN A 51 5.074 6.366 -7.210 1.00 0.00 H new ATOM 0 HG3 GLN A 51 6.206 5.872 -8.453 1.00 0.00 H new ATOM 0 HE21 GLN A 51 7.626 7.640 -8.094 1.00 0.00 H new ATOM 0 HE22 GLN A 51 7.153 9.306 -8.443 1.00 0.00 H new ATOM 855 N ILE A 52 4.037 3.316 -6.926 1.00 0.00 N ATOM 856 CA ILE A 52 3.723 2.801 -5.623 1.00 0.00 C ATOM 857 C ILE A 52 4.898 3.093 -4.703 1.00 0.00 C ATOM 858 O ILE A 52 5.965 3.414 -5.168 1.00 0.00 O ATOM 859 CB ILE A 52 3.497 1.261 -5.728 1.00 0.00 C ATOM 860 CG1 ILE A 52 2.549 0.974 -6.899 1.00 0.00 C ATOM 861 CG2 ILE A 52 2.937 0.671 -4.428 1.00 0.00 C ATOM 862 CD1 ILE A 52 2.089 -0.440 -6.982 1.00 0.00 C ATOM 0 H ILE A 52 4.828 2.849 -7.370 1.00 0.00 H new ATOM 0 HA ILE A 52 2.820 3.267 -5.229 1.00 0.00 H new ATOM 0 HB ILE A 52 4.461 0.783 -5.902 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.677 1.623 -6.813 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.051 1.236 -7.830 1.00 0.00 H new ATOM 0 HG21 ILE A 52 2.796 -0.403 -4.547 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.637 0.857 -3.613 1.00 0.00 H new ATOM 0 HG23 ILE A 52 1.980 1.140 -4.198 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.423 -0.556 -7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.951 -1.097 -7.101 1.00 0.00 H new ATOM 0 HD13 ILE A 52 1.556 -0.703 -6.068 1.00 0.00 H new ATOM 874 N GLU A 53 4.701 3.035 -3.436 1.00 0.00 N ATOM 875 CA GLU A 53 5.766 3.230 -2.494 1.00 0.00 C ATOM 876 C GLU A 53 5.935 1.937 -1.724 1.00 0.00 C ATOM 877 O GLU A 53 4.940 1.288 -1.402 1.00 0.00 O ATOM 878 CB GLU A 53 5.386 4.304 -1.518 1.00 0.00 C ATOM 879 CG GLU A 53 4.656 5.492 -2.125 1.00 0.00 C ATOM 880 CD GLU A 53 4.109 6.421 -1.083 1.00 0.00 C ATOM 881 OE1 GLU A 53 3.031 6.155 -0.542 1.00 0.00 O ATOM 882 OE2 GLU A 53 4.750 7.446 -0.780 1.00 0.00 O ATOM 0 H GLU A 53 3.793 2.850 -3.010 1.00 0.00 H new ATOM 0 HA GLU A 53 6.681 3.513 -3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 53 4.756 3.865 -0.745 1.00 0.00 H new ATOM 0 HB3 GLU A 53 6.290 4.664 -1.026 1.00 0.00 H new ATOM 0 HG2 GLU A 53 5.338 6.041 -2.775 1.00 0.00 H new ATOM 0 HG3 GLU A 53 3.840 5.132 -2.751 1.00 0.00 H new ATOM 889 N ILE A 54 7.150 1.547 -1.440 1.00 0.00 N ATOM 890 CA ILE A 54 7.378 0.342 -0.678 1.00 0.00 C ATOM 891 C ILE A 54 7.709 0.715 0.767 1.00 0.00 C ATOM 892 O ILE A 54 8.599 1.545 1.027 1.00 0.00 O ATOM 893 CB ILE A 54 8.499 -0.586 -1.294 1.00 0.00 C ATOM 894 CG1 ILE A 54 8.631 -1.885 -0.519 1.00 0.00 C ATOM 895 CG2 ILE A 54 9.831 0.092 -1.377 1.00 0.00 C ATOM 896 CD1 ILE A 54 7.440 -2.783 -0.628 1.00 0.00 C ATOM 0 H ILE A 54 7.996 2.042 -1.722 1.00 0.00 H new ATOM 0 HA ILE A 54 6.460 -0.245 -0.711 1.00 0.00 H new ATOM 0 HB ILE A 54 8.177 -0.808 -2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 54 9.511 -2.421 -0.875 1.00 0.00 H new ATOM 0 HG13 ILE A 54 8.803 -1.653 0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 54 10.562 -0.593 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 54 9.750 0.978 -2.006 1.00 0.00 H new ATOM 0 HG23 ILE A 54 10.153 0.385 -0.378 1.00 0.00 H new ATOM 0 HD11 ILE A 54 7.613 -3.689 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 54 6.560 -2.268 -0.244 1.00 0.00 H new ATOM 0 HD13 ILE A 54 7.278 -3.048 -1.673 1.00 0.00 H new ATOM 908 N ILE A 55 6.964 0.169 1.680 1.00 0.00 N ATOM 909 CA ILE A 55 7.175 0.430 3.087 1.00 0.00 C ATOM 910 C ILE A 55 7.701 -0.801 3.815 1.00 0.00 C ATOM 911 O ILE A 55 8.660 -0.717 4.576 1.00 0.00 O ATOM 912 CB ILE A 55 5.936 1.042 3.824 1.00 0.00 C ATOM 913 CG1 ILE A 55 4.603 0.360 3.428 1.00 0.00 C ATOM 914 CG2 ILE A 55 5.861 2.551 3.608 1.00 0.00 C ATOM 915 CD1 ILE A 55 4.004 0.842 2.123 1.00 0.00 C ATOM 0 H ILE A 55 6.193 -0.469 1.480 1.00 0.00 H new ATOM 0 HA ILE A 55 7.942 1.204 3.119 1.00 0.00 H new ATOM 0 HB ILE A 55 6.081 0.849 4.887 1.00 0.00 H new ATOM 0 HG12 ILE A 55 4.768 -0.715 3.360 1.00 0.00 H new ATOM 0 HG13 ILE A 55 3.878 0.522 4.226 1.00 0.00 H new ATOM 0 HG21 ILE A 55 4.992 2.951 4.130 1.00 0.00 H new ATOM 0 HG22 ILE A 55 6.765 3.020 3.997 1.00 0.00 H new ATOM 0 HG23 ILE A 55 5.773 2.762 2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 55 3.074 0.308 1.930 1.00 0.00 H new ATOM 0 HD12 ILE A 55 3.801 1.911 2.189 1.00 0.00 H new ATOM 0 HD13 ILE A 55 4.705 0.655 1.310 1.00 0.00 H new ATOM 927 N ARG A 56 7.109 -1.946 3.581 1.00 0.00 N ATOM 928 CA ARG A 56 7.626 -3.138 4.198 1.00 0.00 C ATOM 929 C ARG A 56 7.794 -4.224 3.161 1.00 0.00 C ATOM 930 O ARG A 56 6.968 -4.379 2.280 1.00 0.00 O ATOM 931 CB ARG A 56 6.791 -3.606 5.406 1.00 0.00 C ATOM 932 CG ARG A 56 7.455 -4.749 6.152 1.00 0.00 C ATOM 933 CD ARG A 56 6.934 -4.904 7.553 1.00 0.00 C ATOM 934 NE ARG A 56 7.378 -6.144 8.171 1.00 0.00 N ATOM 935 CZ ARG A 56 7.359 -6.381 9.477 1.00 0.00 C ATOM 936 NH1 ARG A 56 7.180 -5.381 10.344 1.00 0.00 N ATOM 937 NH2 ARG A 56 7.573 -7.609 9.917 1.00 0.00 N ATOM 0 H ARG A 56 6.292 -2.076 2.985 1.00 0.00 H new ATOM 0 HA ARG A 56 8.606 -2.898 4.609 1.00 0.00 H new ATOM 0 HB2 ARG A 56 6.639 -2.769 6.087 1.00 0.00 H new ATOM 0 HB3 ARG A 56 5.805 -3.921 5.064 1.00 0.00 H new ATOM 0 HG2 ARG A 56 7.295 -5.677 5.604 1.00 0.00 H new ATOM 0 HG3 ARG A 56 8.531 -4.580 6.185 1.00 0.00 H new ATOM 0 HD2 ARG A 56 7.266 -4.060 8.158 1.00 0.00 H new ATOM 0 HD3 ARG A 56 5.844 -4.877 7.539 1.00 0.00 H new ATOM 0 HE ARG A 56 7.728 -6.881 7.559 1.00 0.00 H new ATOM 0 HH11 ARG A 56 7.057 -4.427 10.004 1.00 0.00 H new ATOM 0 HH12 ARG A 56 7.167 -5.571 11.346 1.00 0.00 H new ATOM 0 HH21 ARG A 56 7.751 -8.364 9.255 1.00 0.00 H new ATOM 0 HH22 ARG A 56 7.560 -7.801 10.919 1.00 0.00 H new ATOM 951 N ILE A 57 8.876 -4.927 3.256 1.00 0.00 N ATOM 952 CA ILE A 57 9.246 -5.966 2.319 1.00 0.00 C ATOM 953 C ILE A 57 9.489 -7.277 3.027 1.00 0.00 C ATOM 954 O ILE A 57 9.140 -8.352 2.520 1.00 0.00 O ATOM 955 CB ILE A 57 10.537 -5.616 1.459 1.00 0.00 C ATOM 956 CG1 ILE A 57 11.644 -4.886 2.263 1.00 0.00 C ATOM 957 CG2 ILE A 57 10.204 -4.846 0.207 1.00 0.00 C ATOM 958 CD1 ILE A 57 11.338 -3.421 2.561 1.00 0.00 C ATOM 0 H ILE A 57 9.555 -4.799 4.007 1.00 0.00 H new ATOM 0 HA ILE A 57 8.398 -6.048 1.639 1.00 0.00 H new ATOM 0 HB ILE A 57 10.943 -6.585 1.168 1.00 0.00 H new ATOM 0 HG12 ILE A 57 11.800 -5.412 3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 57 12.580 -4.944 1.707 1.00 0.00 H new ATOM 0 HG21 ILE A 57 11.120 -4.633 -0.343 1.00 0.00 H new ATOM 0 HG22 ILE A 57 9.535 -5.438 -0.417 1.00 0.00 H new ATOM 0 HG23 ILE A 57 9.715 -3.909 0.475 1.00 0.00 H new ATOM 0 HD11 ILE A 57 12.162 -2.985 3.126 1.00 0.00 H new ATOM 0 HD12 ILE A 57 11.213 -2.878 1.624 1.00 0.00 H new ATOM 0 HD13 ILE A 57 10.421 -3.353 3.146 1.00 0.00 H new ATOM 970 N THR A 58 10.070 -7.201 4.185 1.00 0.00 N ATOM 971 CA THR A 58 10.467 -8.366 4.894 1.00 0.00 C ATOM 972 C THR A 58 9.494 -8.802 5.967 1.00 0.00 C ATOM 973 O THR A 58 8.684 -8.003 6.485 1.00 0.00 O ATOM 974 CB THR A 58 11.880 -8.193 5.463 1.00 0.00 C ATOM 975 OG1 THR A 58 12.035 -6.865 6.009 1.00 0.00 O ATOM 976 CG2 THR A 58 12.915 -8.435 4.388 1.00 0.00 C ATOM 0 H THR A 58 10.280 -6.324 4.662 1.00 0.00 H new ATOM 0 HA THR A 58 10.468 -9.176 4.164 1.00 0.00 H new ATOM 0 HB THR A 58 12.027 -8.924 6.259 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.940 -6.764 6.372 1.00 0.00 H new ATOM 0 HG21 THR A 58 13.913 -8.308 4.808 1.00 0.00 H new ATOM 0 HG22 THR A 58 12.810 -9.449 4.003 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.770 -7.722 3.576 1.00 0.00 H new ATOM 984 N ASP A 59 9.586 -10.086 6.258 1.00 0.00 N ATOM 985 CA ASP A 59 8.820 -10.775 7.273 1.00 0.00 C ATOM 986 C ASP A 59 7.352 -10.851 6.934 1.00 0.00 C ATOM 987 O ASP A 59 6.522 -10.107 7.475 1.00 0.00 O ATOM 988 CB ASP A 59 9.053 -10.230 8.688 1.00 0.00 C ATOM 989 CG ASP A 59 8.392 -11.086 9.744 1.00 0.00 C ATOM 990 OD1 ASP A 59 8.920 -12.185 10.038 1.00 0.00 O ATOM 991 OD2 ASP A 59 7.365 -10.664 10.328 1.00 0.00 O ATOM 0 H ASP A 59 10.230 -10.706 5.767 1.00 0.00 H new ATOM 0 HA ASP A 59 9.201 -11.796 7.278 1.00 0.00 H new ATOM 0 HB2 ASP A 59 10.124 -10.177 8.884 1.00 0.00 H new ATOM 0 HB3 ASP A 59 8.666 -9.213 8.752 1.00 0.00 H new ATOM 996 N ASN A 60 7.053 -11.669 5.960 1.00 0.00 N ATOM 997 CA ASN A 60 5.676 -11.927 5.560 1.00 0.00 C ATOM 998 C ASN A 60 5.539 -13.296 4.907 1.00 0.00 C ATOM 999 O ASN A 60 6.114 -13.543 3.842 1.00 0.00 O ATOM 1000 CB ASN A 60 5.160 -10.836 4.622 1.00 0.00 C ATOM 1001 CG ASN A 60 3.760 -11.094 4.096 1.00 0.00 C ATOM 1002 OD1 ASN A 60 2.945 -11.763 4.712 1.00 0.00 O ATOM 1003 ND2 ASN A 60 3.469 -10.554 2.974 1.00 0.00 N ATOM 0 H ASN A 60 7.749 -12.179 5.416 1.00 0.00 H new ATOM 0 HA ASN A 60 5.067 -11.917 6.464 1.00 0.00 H new ATOM 0 HB2 ASN A 60 5.170 -9.882 5.149 1.00 0.00 H new ATOM 0 HB3 ASN A 60 5.844 -10.742 3.778 1.00 0.00 H new ATOM 0 HD21 ASN A 60 2.539 -10.678 2.575 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.167 -10.000 2.479 1.00 0.00 H new ATOM 1010 N PRO A 61 4.746 -14.198 5.525 1.00 0.00 N ATOM 1011 CA PRO A 61 4.537 -15.571 5.036 1.00 0.00 C ATOM 1012 C PRO A 61 3.944 -15.649 3.616 1.00 0.00 C ATOM 1013 O PRO A 61 4.130 -16.653 2.921 1.00 0.00 O ATOM 1014 CB PRO A 61 3.566 -16.187 6.055 1.00 0.00 C ATOM 1015 CG PRO A 61 2.955 -15.026 6.757 1.00 0.00 C ATOM 1016 CD PRO A 61 4.008 -13.964 6.784 1.00 0.00 C ATOM 0 HA PRO A 61 5.490 -16.095 4.956 1.00 0.00 H new ATOM 0 HB2 PRO A 61 2.807 -16.793 5.560 1.00 0.00 H new ATOM 0 HB3 PRO A 61 4.089 -16.840 6.754 1.00 0.00 H new ATOM 0 HG2 PRO A 61 2.063 -14.679 6.235 1.00 0.00 H new ATOM 0 HG3 PRO A 61 2.648 -15.298 7.767 1.00 0.00 H new ATOM 0 HD2 PRO A 61 3.573 -12.965 6.818 1.00 0.00 H new ATOM 0 HD3 PRO A 61 4.656 -14.059 7.656 1.00 0.00 H new ATOM 1024 N GLU A 62 3.258 -14.590 3.165 1.00 0.00 N ATOM 1025 CA GLU A 62 2.662 -14.603 1.812 1.00 0.00 C ATOM 1026 C GLU A 62 3.726 -14.445 0.745 1.00 0.00 C ATOM 1027 O GLU A 62 3.479 -14.717 -0.432 1.00 0.00 O ATOM 1028 CB GLU A 62 1.629 -13.495 1.619 1.00 0.00 C ATOM 1029 CG GLU A 62 0.467 -13.562 2.555 1.00 0.00 C ATOM 1030 CD GLU A 62 -0.561 -12.516 2.274 1.00 0.00 C ATOM 1031 OE1 GLU A 62 -1.405 -12.712 1.363 1.00 0.00 O ATOM 1032 OE2 GLU A 62 -0.553 -11.476 2.956 1.00 0.00 O ATOM 0 H GLU A 62 3.102 -13.733 3.696 1.00 0.00 H new ATOM 0 HA GLU A 62 2.168 -15.570 1.715 1.00 0.00 H new ATOM 0 HB2 GLU A 62 2.122 -12.531 1.741 1.00 0.00 H new ATOM 0 HB3 GLU A 62 1.258 -13.536 0.595 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.006 -14.547 2.485 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.824 -13.449 3.579 1.00 0.00 H new ATOM 1039 N GLY A 63 4.895 -13.990 1.157 1.00 0.00 N ATOM 1040 CA GLY A 63 5.959 -13.735 0.226 1.00 0.00 C ATOM 1041 C GLY A 63 5.659 -12.526 -0.607 1.00 0.00 C ATOM 1042 O GLY A 63 6.102 -12.415 -1.754 1.00 0.00 O ATOM 0 H GLY A 63 5.124 -13.792 2.131 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.894 -13.587 0.767 1.00 0.00 H new ATOM 0 HA3 GLY A 63 6.099 -14.602 -0.420 1.00 0.00 H new ATOM 1046 N LYS A 64 4.889 -11.631 -0.045 1.00 0.00 N ATOM 1047 CA LYS A 64 4.473 -10.463 -0.724 1.00 0.00 C ATOM 1048 C LYS A 64 4.999 -9.236 0.034 1.00 0.00 C ATOM 1049 O LYS A 64 5.353 -9.348 1.213 1.00 0.00 O ATOM 1050 CB LYS A 64 2.931 -10.476 -0.851 1.00 0.00 C ATOM 1051 CG LYS A 64 2.138 -9.887 0.313 1.00 0.00 C ATOM 1052 CD LYS A 64 0.630 -10.124 0.178 1.00 0.00 C ATOM 1053 CE LYS A 64 0.184 -10.025 -1.256 1.00 0.00 C ATOM 1054 NZ LYS A 64 -1.284 -9.963 -1.428 1.00 0.00 N ATOM 0 H LYS A 64 4.537 -11.707 0.909 1.00 0.00 H new ATOM 0 HA LYS A 64 4.880 -10.423 -1.734 1.00 0.00 H new ATOM 0 HB2 LYS A 64 2.660 -9.932 -1.756 1.00 0.00 H new ATOM 0 HB3 LYS A 64 2.611 -11.508 -0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.489 -10.327 1.246 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.330 -8.816 0.373 1.00 0.00 H new ATOM 0 HD2 LYS A 64 0.378 -11.109 0.572 1.00 0.00 H new ATOM 0 HD3 LYS A 64 0.090 -9.393 0.780 1.00 0.00 H new ATOM 0 HE2 LYS A 64 0.630 -9.137 -1.704 1.00 0.00 H new ATOM 0 HE3 LYS A 64 0.568 -10.885 -1.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -1.509 -9.761 -2.423 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -1.704 -10.875 -1.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -1.673 -9.210 -0.825 1.00 0.00 H new ATOM 1068 N TRP A 65 5.039 -8.110 -0.626 1.00 0.00 N ATOM 1069 CA TRP A 65 5.540 -6.867 -0.062 1.00 0.00 C ATOM 1070 C TRP A 65 4.374 -6.005 0.381 1.00 0.00 C ATOM 1071 O TRP A 65 3.232 -6.379 0.207 1.00 0.00 O ATOM 1072 CB TRP A 65 6.355 -6.096 -1.108 1.00 0.00 C ATOM 1073 CG TRP A 65 7.661 -6.716 -1.505 1.00 0.00 C ATOM 1074 CD1 TRP A 65 8.432 -7.573 -0.769 1.00 0.00 C ATOM 1075 CD2 TRP A 65 8.375 -6.494 -2.732 1.00 0.00 C ATOM 1076 NE1 TRP A 65 9.573 -7.897 -1.466 1.00 0.00 N ATOM 1077 CE2 TRP A 65 9.559 -7.251 -2.675 1.00 0.00 C ATOM 1078 CE3 TRP A 65 8.120 -5.737 -3.878 1.00 0.00 C ATOM 1079 CZ2 TRP A 65 10.485 -7.264 -3.713 1.00 0.00 C ATOM 1080 CZ3 TRP A 65 9.041 -5.752 -4.906 1.00 0.00 C ATOM 1081 CH2 TRP A 65 10.207 -6.511 -4.819 1.00 0.00 C ATOM 0 H TRP A 65 4.720 -8.020 -1.591 1.00 0.00 H new ATOM 0 HA TRP A 65 6.178 -7.104 0.790 1.00 0.00 H new ATOM 0 HB2 TRP A 65 5.744 -5.978 -2.003 1.00 0.00 H new ATOM 0 HB3 TRP A 65 6.552 -5.096 -0.722 1.00 0.00 H new ATOM 0 HD1 TRP A 65 8.182 -7.941 0.215 1.00 0.00 H new ATOM 0 HE1 TRP A 65 10.311 -8.519 -1.136 1.00 0.00 H new ATOM 0 HE3 TRP A 65 7.217 -5.150 -3.958 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 11.391 -7.848 -3.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 8.855 -5.165 -5.793 1.00 0.00 H new ATOM 0 HH2 TRP A 65 10.905 -6.504 -5.643 1.00 0.00 H new ATOM 1092 N LEU A 66 4.661 -4.881 0.976 1.00 0.00 N ATOM 1093 CA LEU A 66 3.642 -3.946 1.381 1.00 0.00 C ATOM 1094 C LEU A 66 3.837 -2.661 0.627 1.00 0.00 C ATOM 1095 O LEU A 66 4.827 -1.945 0.860 1.00 0.00 O ATOM 1096 CB LEU A 66 3.711 -3.665 2.885 1.00 0.00 C ATOM 1097 CG LEU A 66 2.667 -2.683 3.422 1.00 0.00 C ATOM 1098 CD1 LEU A 66 1.279 -3.229 3.242 1.00 0.00 C ATOM 1099 CD2 LEU A 66 2.925 -2.366 4.870 1.00 0.00 C ATOM 0 H LEU A 66 5.612 -4.584 1.196 1.00 0.00 H new ATOM 0 HA LEU A 66 2.666 -4.378 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.604 -4.610 3.418 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.703 -3.278 3.119 1.00 0.00 H new ATOM 0 HG LEU A 66 2.749 -1.759 2.850 1.00 0.00 H new ATOM 0 HD11 LEU A 66 0.554 -2.514 3.631 1.00 0.00 H new ATOM 0 HD12 LEU A 66 1.089 -3.398 2.182 1.00 0.00 H new ATOM 0 HD13 LEU A 66 1.186 -4.171 3.782 1.00 0.00 H new ATOM 0 HD21 LEU A 66 2.170 -1.666 5.229 1.00 0.00 H new ATOM 0 HD22 LEU A 66 2.878 -3.283 5.457 1.00 0.00 H new ATOM 0 HD23 LEU A 66 3.913 -1.918 4.974 1.00 0.00 H new ATOM 1111 N GLY A 67 2.935 -2.373 -0.267 1.00 0.00 N ATOM 1112 CA GLY A 67 3.038 -1.182 -1.032 1.00 0.00 C ATOM 1113 C GLY A 67 1.940 -0.228 -0.684 1.00 0.00 C ATOM 1114 O GLY A 67 0.910 -0.636 -0.146 1.00 0.00 O ATOM 0 H GLY A 67 2.123 -2.952 -0.478 1.00 0.00 H new ATOM 0 HA2 GLY A 67 4.005 -0.712 -0.852 1.00 0.00 H new ATOM 0 HA3 GLY A 67 2.993 -1.422 -2.094 1.00 0.00 H new ATOM 1118 N ARG A 68 2.156 1.022 -0.964 1.00 0.00 N ATOM 1119 CA ARG A 68 1.185 2.054 -0.703 1.00 0.00 C ATOM 1120 C ARG A 68 1.158 3.018 -1.851 1.00 0.00 C ATOM 1121 O ARG A 68 2.139 3.176 -2.555 1.00 0.00 O ATOM 1122 CB ARG A 68 1.518 2.786 0.608 1.00 0.00 C ATOM 1123 CG ARG A 68 0.577 3.913 1.024 1.00 0.00 C ATOM 1124 CD ARG A 68 1.139 4.675 2.206 1.00 0.00 C ATOM 1125 NE ARG A 68 2.381 5.360 1.875 1.00 0.00 N ATOM 1126 CZ ARG A 68 3.263 5.859 2.746 1.00 0.00 C ATOM 1127 NH1 ARG A 68 3.134 5.640 4.059 1.00 0.00 N ATOM 1128 NH2 ARG A 68 4.290 6.563 2.287 1.00 0.00 N ATOM 0 H ARG A 68 3.020 1.363 -1.385 1.00 0.00 H new ATOM 0 HA ARG A 68 0.200 1.599 -0.596 1.00 0.00 H new ATOM 0 HB2 ARG A 68 1.543 2.050 1.411 1.00 0.00 H new ATOM 0 HB3 ARG A 68 2.524 3.197 0.522 1.00 0.00 H new ATOM 0 HG2 ARG A 68 0.425 4.593 0.186 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -0.399 3.501 1.282 1.00 0.00 H new ATOM 0 HD2 ARG A 68 0.404 5.403 2.550 1.00 0.00 H new ATOM 0 HD3 ARG A 68 1.315 3.985 3.031 1.00 0.00 H new ATOM 0 HE ARG A 68 2.598 5.469 0.884 1.00 0.00 H new ATOM 0 HH11 ARG A 68 2.353 5.085 4.409 1.00 0.00 H new ATOM 0 HH12 ARG A 68 3.816 6.028 4.710 1.00 0.00 H new ATOM 0 HH21 ARG A 68 4.396 6.716 1.284 1.00 0.00 H new ATOM 0 HH22 ARG A 68 4.973 6.952 2.937 1.00 0.00 H new ATOM 1142 N THR A 69 0.043 3.614 -2.050 1.00 0.00 N ATOM 1143 CA THR A 69 -0.121 4.602 -3.076 1.00 0.00 C ATOM 1144 C THR A 69 -0.196 5.966 -2.439 1.00 0.00 C ATOM 1145 O THR A 69 -0.395 6.054 -1.210 1.00 0.00 O ATOM 1146 CB THR A 69 -1.355 4.301 -3.946 1.00 0.00 C ATOM 1147 OG1 THR A 69 -2.469 3.936 -3.109 1.00 0.00 O ATOM 1148 CG2 THR A 69 -1.059 3.180 -4.936 1.00 0.00 C ATOM 0 H THR A 69 -0.800 3.435 -1.504 1.00 0.00 H new ATOM 0 HA THR A 69 0.739 4.578 -3.745 1.00 0.00 H new ATOM 0 HB THR A 69 -1.607 5.200 -4.509 1.00 0.00 H new ATOM 0 HG1 THR A 69 -3.251 3.748 -3.669 1.00 0.00 H new ATOM 0 HG21 THR A 69 -1.945 2.985 -5.540 1.00 0.00 H new ATOM 0 HG22 THR A 69 -0.235 3.476 -5.586 1.00 0.00 H new ATOM 0 HG23 THR A 69 -0.785 2.277 -4.391 1.00 0.00 H new ATOM 1156 N ALA A 70 -0.053 7.026 -3.238 1.00 0.00 N ATOM 1157 CA ALA A 70 -0.027 8.398 -2.746 1.00 0.00 C ATOM 1158 C ALA A 70 -1.413 8.871 -2.325 1.00 0.00 C ATOM 1159 O ALA A 70 -2.007 9.783 -2.911 1.00 0.00 O ATOM 1160 CB ALA A 70 0.593 9.330 -3.773 1.00 0.00 C ATOM 0 H ALA A 70 0.048 6.952 -4.250 1.00 0.00 H new ATOM 0 HA ALA A 70 0.601 8.419 -1.855 1.00 0.00 H new ATOM 0 HB1 ALA A 70 0.601 10.348 -3.383 1.00 0.00 H new ATOM 0 HB2 ALA A 70 1.615 9.013 -3.982 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.009 9.299 -4.693 1.00 0.00 H new ATOM 1166 N ARG A 71 -1.910 8.197 -1.342 1.00 0.00 N ATOM 1167 CA ARG A 71 -3.201 8.430 -0.729 1.00 0.00 C ATOM 1168 C ARG A 71 -3.330 7.598 0.542 1.00 0.00 C ATOM 1169 O ARG A 71 -4.094 7.940 1.451 1.00 0.00 O ATOM 1170 CB ARG A 71 -4.375 8.087 -1.663 1.00 0.00 C ATOM 1171 CG ARG A 71 -4.402 6.643 -2.146 1.00 0.00 C ATOM 1172 CD ARG A 71 -5.737 6.303 -2.770 1.00 0.00 C ATOM 1173 NE ARG A 71 -6.069 7.164 -3.898 1.00 0.00 N ATOM 1174 CZ ARG A 71 -7.233 7.812 -4.043 1.00 0.00 C ATOM 1175 NH1 ARG A 71 -8.148 7.771 -3.061 1.00 0.00 N ATOM 1176 NH2 ARG A 71 -7.480 8.499 -5.156 1.00 0.00 N ATOM 0 H ARG A 71 -1.407 7.421 -0.911 1.00 0.00 H new ATOM 0 HA ARG A 71 -3.252 9.495 -0.504 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -5.309 8.300 -1.143 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -4.336 8.746 -2.531 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -3.606 6.485 -2.874 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -4.207 5.973 -1.309 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -5.724 5.265 -3.103 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.518 6.385 -2.014 1.00 0.00 H new ATOM 0 HE ARG A 71 -5.366 7.282 -4.628 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -7.956 7.247 -2.207 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.035 8.263 -3.169 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -6.783 8.533 -5.900 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -8.366 8.992 -5.265 1.00 0.00 H new ATOM 1190 N GLY A 72 -2.625 6.482 0.580 1.00 0.00 N ATOM 1191 CA GLY A 72 -2.669 5.621 1.712 1.00 0.00 C ATOM 1192 C GLY A 72 -3.588 4.482 1.475 1.00 0.00 C ATOM 1193 O GLY A 72 -4.786 4.548 1.730 1.00 0.00 O ATOM 0 H GLY A 72 -2.016 6.163 -0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.668 5.247 1.929 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.996 6.181 2.588 1.00 0.00 H new ATOM 1197 N SER A 73 -3.034 3.476 0.928 1.00 0.00 N ATOM 1198 CA SER A 73 -3.653 2.280 0.620 1.00 0.00 C ATOM 1199 C SER A 73 -2.524 1.365 0.681 1.00 0.00 C ATOM 1200 O SER A 73 -1.562 1.539 -0.032 1.00 0.00 O ATOM 1201 CB SER A 73 -4.239 2.286 -0.775 1.00 0.00 C ATOM 1202 OG SER A 73 -5.141 3.379 -0.956 1.00 0.00 O ATOM 0 H SER A 73 -2.048 3.482 0.666 1.00 0.00 H new ATOM 0 HA SER A 73 -4.489 2.040 1.276 1.00 0.00 H new ATOM 0 HB2 SER A 73 -3.435 2.350 -1.509 1.00 0.00 H new ATOM 0 HB3 SER A 73 -4.762 1.347 -0.956 1.00 0.00 H new ATOM 0 HG SER A 73 -5.502 3.358 -1.867 1.00 0.00 H new ATOM 1208 N TYR A 74 -2.599 0.491 1.523 1.00 0.00 N ATOM 1209 CA TYR A 74 -1.536 -0.390 1.812 1.00 0.00 C ATOM 1210 C TYR A 74 -1.916 -1.722 1.347 1.00 0.00 C ATOM 1211 O TYR A 74 -2.447 -2.548 2.100 1.00 0.00 O ATOM 1212 CB TYR A 74 -1.256 -0.428 3.280 1.00 0.00 C ATOM 1213 CG TYR A 74 -0.540 0.755 3.883 1.00 0.00 C ATOM 1214 CD1 TYR A 74 -1.235 1.883 4.283 1.00 0.00 C ATOM 1215 CD2 TYR A 74 0.832 0.725 4.084 1.00 0.00 C ATOM 1216 CE1 TYR A 74 -0.583 2.950 4.860 1.00 0.00 C ATOM 1217 CE2 TYR A 74 1.492 1.789 4.667 1.00 0.00 C ATOM 1218 CZ TYR A 74 0.779 2.899 5.054 1.00 0.00 C ATOM 1219 OH TYR A 74 1.429 3.970 5.630 1.00 0.00 O ATOM 0 H TYR A 74 -3.434 0.326 2.085 1.00 0.00 H new ATOM 0 HA TYR A 74 -0.631 -0.048 1.310 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -2.206 -0.547 3.801 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -0.665 -1.320 3.487 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -2.305 1.927 4.141 1.00 0.00 H new ATOM 0 HD2 TYR A 74 1.394 -0.145 3.779 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -1.139 3.826 5.160 1.00 0.00 H new ATOM 0 HE2 TYR A 74 2.561 1.749 4.818 1.00 0.00 H new ATOM 0 HH TYR A 74 2.328 3.696 5.909 1.00 0.00 H new ATOM 1229 N GLY A 75 -1.738 -1.926 0.120 1.00 0.00 N ATOM 1230 CA GLY A 75 -2.065 -3.122 -0.406 1.00 0.00 C ATOM 1231 C GLY A 75 -0.861 -3.887 -0.576 1.00 0.00 C ATOM 1232 O GLY A 75 -0.032 -3.588 -1.433 1.00 0.00 O ATOM 0 H GLY A 75 -1.356 -1.247 -0.538 1.00 0.00 H new ATOM 0 HA2 GLY A 75 -2.759 -3.648 0.250 1.00 0.00 H new ATOM 0 HA3 GLY A 75 -2.569 -2.990 -1.363 1.00 0.00 H new ATOM 1236 N TYR A 76 -0.686 -4.711 0.358 1.00 0.00 N ATOM 1237 CA TYR A 76 0.301 -5.749 0.363 1.00 0.00 C ATOM 1238 C TYR A 76 0.290 -6.426 -1.009 1.00 0.00 C ATOM 1239 O TYR A 76 -0.629 -7.154 -1.348 1.00 0.00 O ATOM 1240 CB TYR A 76 -0.007 -6.740 1.518 1.00 0.00 C ATOM 1241 CG TYR A 76 -1.276 -6.359 2.274 1.00 0.00 C ATOM 1242 CD1 TYR A 76 -2.519 -6.711 1.778 1.00 0.00 C ATOM 1243 CD2 TYR A 76 -1.227 -5.585 3.434 1.00 0.00 C ATOM 1244 CE1 TYR A 76 -3.672 -6.311 2.397 1.00 0.00 C ATOM 1245 CE2 TYR A 76 -2.388 -5.195 4.064 1.00 0.00 C ATOM 1246 CZ TYR A 76 -3.610 -5.558 3.532 1.00 0.00 C ATOM 1247 OH TYR A 76 -4.776 -5.161 4.141 1.00 0.00 O ATOM 0 H TYR A 76 -1.252 -4.700 1.206 1.00 0.00 H new ATOM 0 HA TYR A 76 1.301 -5.351 0.538 1.00 0.00 H new ATOM 0 HB2 TYR A 76 -0.114 -7.746 1.113 1.00 0.00 H new ATOM 0 HB3 TYR A 76 0.835 -6.763 2.210 1.00 0.00 H new ATOM 0 HD1 TYR A 76 -2.580 -7.314 0.884 1.00 0.00 H new ATOM 0 HD2 TYR A 76 -0.271 -5.289 3.841 1.00 0.00 H new ATOM 0 HE1 TYR A 76 -4.631 -6.592 1.987 1.00 0.00 H new ATOM 0 HE2 TYR A 76 -2.343 -4.608 4.970 1.00 0.00 H new ATOM 0 HH TYR A 76 -4.883 -5.642 4.988 1.00 0.00 H new ATOM 1257 N ILE A 77 1.256 -6.042 -1.796 1.00 0.00 N ATOM 1258 CA ILE A 77 1.473 -6.450 -3.138 1.00 0.00 C ATOM 1259 C ILE A 77 2.162 -7.718 -3.251 1.00 0.00 C ATOM 1260 O ILE A 77 3.043 -8.035 -2.472 1.00 0.00 O ATOM 1261 CB ILE A 77 2.398 -5.471 -3.850 1.00 0.00 C ATOM 1262 CG1 ILE A 77 3.510 -4.966 -2.901 1.00 0.00 C ATOM 1263 CG2 ILE A 77 1.634 -4.340 -4.433 1.00 0.00 C ATOM 1264 CD1 ILE A 77 4.450 -3.955 -3.508 1.00 0.00 C ATOM 0 H ILE A 77 1.965 -5.381 -1.480 1.00 0.00 H new ATOM 0 HA ILE A 77 0.473 -6.508 -3.568 1.00 0.00 H new ATOM 0 HB ILE A 77 2.879 -6.003 -4.671 1.00 0.00 H new ATOM 0 HG12 ILE A 77 3.043 -4.524 -2.020 1.00 0.00 H new ATOM 0 HG13 ILE A 77 4.092 -5.822 -2.558 1.00 0.00 H new ATOM 0 HG21 ILE A 77 2.320 -3.658 -4.935 1.00 0.00 H new ATOM 0 HG22 ILE A 77 0.911 -4.722 -5.154 1.00 0.00 H new ATOM 0 HG23 ILE A 77 1.109 -3.808 -3.640 1.00 0.00 H new ATOM 0 HD11 ILE A 77 5.194 -3.660 -2.768 1.00 0.00 H new ATOM 0 HD12 ILE A 77 4.950 -4.395 -4.371 1.00 0.00 H new ATOM 0 HD13 ILE A 77 3.886 -3.078 -3.824 1.00 0.00 H new ATOM 1276 N LYS A 78 1.833 -8.417 -4.252 1.00 0.00 N ATOM 1277 CA LYS A 78 2.594 -9.477 -4.612 1.00 0.00 C ATOM 1278 C LYS A 78 3.731 -8.819 -5.396 1.00 0.00 C ATOM 1279 O LYS A 78 3.525 -8.031 -6.318 1.00 0.00 O ATOM 1280 CB LYS A 78 1.800 -10.497 -5.436 1.00 0.00 C ATOM 1281 CG LYS A 78 1.503 -10.056 -6.845 1.00 0.00 C ATOM 1282 CD LYS A 78 0.561 -10.994 -7.588 1.00 0.00 C ATOM 1283 CE LYS A 78 -0.927 -10.724 -7.270 1.00 0.00 C ATOM 1284 NZ LYS A 78 -1.256 -10.794 -5.826 1.00 0.00 N ATOM 0 H LYS A 78 1.014 -8.250 -4.837 1.00 0.00 H new ATOM 0 HA LYS A 78 2.956 -10.066 -3.769 1.00 0.00 H new ATOM 0 HB2 LYS A 78 2.358 -11.433 -5.470 1.00 0.00 H new ATOM 0 HB3 LYS A 78 0.859 -10.705 -4.927 1.00 0.00 H new ATOM 0 HG2 LYS A 78 1.065 -9.058 -6.821 1.00 0.00 H new ATOM 0 HG3 LYS A 78 2.439 -9.980 -7.399 1.00 0.00 H new ATOM 0 HD2 LYS A 78 0.723 -10.890 -8.661 1.00 0.00 H new ATOM 0 HD3 LYS A 78 0.802 -12.025 -7.328 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -1.195 -9.737 -7.646 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -1.540 -11.447 -7.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -2.289 -10.772 -5.704 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -0.879 -11.677 -5.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -0.832 -9.982 -5.334 1.00 0.00 H new ATOM 1298 N THR A 79 4.839 -9.018 -4.880 1.00 0.00 N ATOM 1299 CA THR A 79 6.152 -8.548 -5.342 1.00 0.00 C ATOM 1300 C THR A 79 6.277 -8.525 -6.882 1.00 0.00 C ATOM 1301 O THR A 79 6.795 -7.580 -7.457 1.00 0.00 O ATOM 1302 CB THR A 79 7.249 -9.504 -4.777 1.00 0.00 C ATOM 1303 OG1 THR A 79 7.096 -10.818 -5.346 1.00 0.00 O ATOM 1304 CG2 THR A 79 7.100 -9.662 -3.283 1.00 0.00 C ATOM 0 H THR A 79 4.922 -9.569 -4.026 1.00 0.00 H new ATOM 0 HA THR A 79 6.275 -7.525 -4.985 1.00 0.00 H new ATOM 0 HB THR A 79 8.218 -9.072 -5.025 1.00 0.00 H new ATOM 0 HG1 THR A 79 7.789 -11.412 -4.988 1.00 0.00 H new ATOM 0 HG21 THR A 79 7.874 -10.332 -2.909 1.00 0.00 H new ATOM 0 HG22 THR A 79 7.199 -8.689 -2.802 1.00 0.00 H new ATOM 0 HG23 THR A 79 6.119 -10.079 -3.057 1.00 0.00 H new ATOM 1312 N THR A 80 5.735 -9.530 -7.508 1.00 0.00 N ATOM 1313 CA THR A 80 5.784 -9.720 -8.929 1.00 0.00 C ATOM 1314 C THR A 80 4.877 -8.717 -9.707 1.00 0.00 C ATOM 1315 O THR A 80 4.982 -8.606 -10.932 1.00 0.00 O ATOM 1316 CB THR A 80 5.409 -11.197 -9.247 1.00 0.00 C ATOM 1317 OG1 THR A 80 5.464 -11.494 -10.659 1.00 0.00 O ATOM 1318 CG2 THR A 80 4.035 -11.546 -8.687 1.00 0.00 C ATOM 0 H THR A 80 5.226 -10.269 -7.023 1.00 0.00 H new ATOM 0 HA THR A 80 6.799 -9.514 -9.270 1.00 0.00 H new ATOM 0 HB THR A 80 6.160 -11.817 -8.757 1.00 0.00 H new ATOM 0 HG1 THR A 80 5.391 -10.662 -11.171 1.00 0.00 H new ATOM 0 HG21 THR A 80 3.798 -12.583 -8.924 1.00 0.00 H new ATOM 0 HG22 THR A 80 4.038 -11.412 -7.605 1.00 0.00 H new ATOM 0 HG23 THR A 80 3.284 -10.892 -9.131 1.00 0.00 H new ATOM 1326 N ALA A 81 4.019 -7.969 -9.007 1.00 0.00 N ATOM 1327 CA ALA A 81 3.148 -7.024 -9.678 1.00 0.00 C ATOM 1328 C ALA A 81 3.836 -5.678 -9.805 1.00 0.00 C ATOM 1329 O ALA A 81 3.396 -4.792 -10.552 1.00 0.00 O ATOM 1330 CB ALA A 81 1.835 -6.883 -8.924 1.00 0.00 C ATOM 0 H ALA A 81 3.916 -8.004 -7.993 1.00 0.00 H new ATOM 0 HA ALA A 81 2.930 -7.399 -10.678 1.00 0.00 H new ATOM 0 HB1 ALA A 81 1.193 -6.170 -9.441 1.00 0.00 H new ATOM 0 HB2 ALA A 81 1.337 -7.851 -8.876 1.00 0.00 H new ATOM 0 HB3 ALA A 81 2.032 -6.526 -7.913 1.00 0.00 H new ATOM 1336 N VAL A 82 4.922 -5.524 -9.087 1.00 0.00 N ATOM 1337 CA VAL A 82 5.653 -4.285 -9.096 1.00 0.00 C ATOM 1338 C VAL A 82 7.115 -4.515 -9.315 1.00 0.00 C ATOM 1339 O VAL A 82 7.593 -5.656 -9.384 1.00 0.00 O ATOM 1340 CB VAL A 82 5.503 -3.492 -7.764 1.00 0.00 C ATOM 1341 CG1 VAL A 82 4.085 -3.029 -7.538 1.00 0.00 C ATOM 1342 CG2 VAL A 82 5.990 -4.317 -6.585 1.00 0.00 C ATOM 0 H VAL A 82 5.319 -6.247 -8.487 1.00 0.00 H new ATOM 0 HA VAL A 82 5.226 -3.706 -9.915 1.00 0.00 H new ATOM 0 HB VAL A 82 6.127 -2.602 -7.848 1.00 0.00 H new ATOM 0 HG11 VAL A 82 4.027 -2.481 -6.598 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.780 -2.378 -8.357 1.00 0.00 H new ATOM 0 HG13 VAL A 82 3.422 -3.893 -7.495 1.00 0.00 H new ATOM 0 HG21 VAL A 82 5.875 -3.742 -5.666 1.00 0.00 H new ATOM 0 HG22 VAL A 82 5.404 -5.233 -6.515 1.00 0.00 H new ATOM 0 HG23 VAL A 82 7.041 -4.569 -6.726 1.00 0.00 H new ATOM 1352 N GLU A 83 7.796 -3.434 -9.464 1.00 0.00 N ATOM 1353 CA GLU A 83 9.223 -3.393 -9.469 1.00 0.00 C ATOM 1354 C GLU A 83 9.603 -2.206 -8.672 1.00 0.00 C ATOM 1355 O GLU A 83 9.161 -1.106 -8.984 1.00 0.00 O ATOM 1356 CB GLU A 83 9.784 -3.235 -10.861 1.00 0.00 C ATOM 1357 CG GLU A 83 9.588 -4.418 -11.757 1.00 0.00 C ATOM 1358 CD GLU A 83 10.304 -4.244 -13.047 1.00 0.00 C ATOM 1359 OE1 GLU A 83 11.513 -4.591 -13.109 1.00 0.00 O ATOM 1360 OE2 GLU A 83 9.701 -3.747 -14.017 1.00 0.00 O ATOM 0 H GLU A 83 7.363 -2.519 -9.591 1.00 0.00 H new ATOM 0 HA GLU A 83 9.617 -4.326 -9.065 1.00 0.00 H new ATOM 0 HB2 GLU A 83 9.322 -2.364 -11.327 1.00 0.00 H new ATOM 0 HB3 GLU A 83 10.851 -3.027 -10.786 1.00 0.00 H new ATOM 0 HG2 GLU A 83 9.947 -5.318 -11.258 1.00 0.00 H new ATOM 0 HG3 GLU A 83 8.524 -4.561 -11.946 1.00 0.00 H new ATOM 1367 N ILE A 84 10.373 -2.384 -7.647 1.00 0.00 N ATOM 1368 CA ILE A 84 10.736 -1.249 -6.861 1.00 0.00 C ATOM 1369 C ILE A 84 11.939 -0.613 -7.459 1.00 0.00 C ATOM 1370 O ILE A 84 12.672 -1.252 -8.227 1.00 0.00 O ATOM 1371 CB ILE A 84 11.042 -1.551 -5.378 1.00 0.00 C ATOM 1372 CG1 ILE A 84 12.305 -2.382 -5.234 1.00 0.00 C ATOM 1373 CG2 ILE A 84 9.864 -2.245 -4.706 1.00 0.00 C ATOM 1374 CD1 ILE A 84 12.922 -2.230 -3.887 1.00 0.00 C ATOM 0 H ILE A 84 10.754 -3.279 -7.340 1.00 0.00 H new ATOM 0 HA ILE A 84 9.863 -0.597 -6.870 1.00 0.00 H new ATOM 0 HB ILE A 84 11.207 -0.597 -4.876 1.00 0.00 H new ATOM 0 HG12 ILE A 84 12.070 -3.432 -5.409 1.00 0.00 H new ATOM 0 HG13 ILE A 84 13.024 -2.085 -5.998 1.00 0.00 H new ATOM 0 HG21 ILE A 84 10.107 -2.446 -3.663 1.00 0.00 H new ATOM 0 HG22 ILE A 84 8.986 -1.602 -4.757 1.00 0.00 H new ATOM 0 HG23 ILE A 84 9.655 -3.185 -5.217 1.00 0.00 H new ATOM 0 HD11 ILE A 84 13.822 -2.842 -3.828 1.00 0.00 H new ATOM 0 HD12 ILE A 84 13.182 -1.184 -3.722 1.00 0.00 H new ATOM 0 HD13 ILE A 84 12.214 -2.553 -3.124 1.00 0.00 H new ATOM 1386 N ASP A 85 12.145 0.607 -7.152 1.00 0.00 N ATOM 1387 CA ASP A 85 13.351 1.244 -7.576 1.00 0.00 C ATOM 1388 C ASP A 85 14.346 0.995 -6.511 1.00 0.00 C ATOM 1389 O ASP A 85 14.043 1.151 -5.336 1.00 0.00 O ATOM 1390 CB ASP A 85 13.208 2.758 -7.815 1.00 0.00 C ATOM 1391 CG ASP A 85 12.334 3.126 -8.997 1.00 0.00 C ATOM 1392 OD1 ASP A 85 12.682 2.789 -10.154 1.00 0.00 O ATOM 1393 OD2 ASP A 85 11.301 3.794 -8.806 1.00 0.00 O ATOM 0 H ASP A 85 11.506 1.192 -6.613 1.00 0.00 H new ATOM 0 HA ASP A 85 13.647 0.831 -8.540 1.00 0.00 H new ATOM 0 HB2 ASP A 85 12.796 3.218 -6.917 1.00 0.00 H new ATOM 0 HB3 ASP A 85 14.200 3.185 -7.965 1.00 0.00 H new ATOM 1398 N TYR A 86 15.498 0.555 -6.882 1.00 0.00 N ATOM 1399 CA TYR A 86 16.528 0.305 -5.921 1.00 0.00 C ATOM 1400 C TYR A 86 17.180 1.623 -5.618 1.00 0.00 C ATOM 1401 O TYR A 86 17.591 1.891 -4.472 1.00 0.00 O ATOM 1402 CB TYR A 86 17.485 -0.758 -6.433 1.00 0.00 C ATOM 1403 CG TYR A 86 16.765 -2.072 -6.672 1.00 0.00 C ATOM 1404 CD1 TYR A 86 16.411 -2.892 -5.606 1.00 0.00 C ATOM 1405 CD2 TYR A 86 16.401 -2.475 -7.951 1.00 0.00 C ATOM 1406 CE1 TYR A 86 15.728 -4.072 -5.808 1.00 0.00 C ATOM 1407 CE2 TYR A 86 15.711 -3.654 -8.159 1.00 0.00 C ATOM 1408 CZ TYR A 86 15.380 -4.448 -7.084 1.00 0.00 C ATOM 1409 OH TYR A 86 14.682 -5.624 -7.289 1.00 0.00 O ATOM 0 H TYR A 86 15.756 0.358 -7.849 1.00 0.00 H new ATOM 0 HA TYR A 86 16.131 -0.102 -4.991 1.00 0.00 H new ATOM 0 HB2 TYR A 86 17.947 -0.419 -7.360 1.00 0.00 H new ATOM 0 HB3 TYR A 86 18.289 -0.906 -5.712 1.00 0.00 H new ATOM 0 HD1 TYR A 86 16.676 -2.599 -4.601 1.00 0.00 H new ATOM 0 HD2 TYR A 86 16.662 -1.856 -8.797 1.00 0.00 H new ATOM 0 HE1 TYR A 86 15.467 -4.698 -4.968 1.00 0.00 H new ATOM 0 HE2 TYR A 86 15.433 -3.951 -9.159 1.00 0.00 H new ATOM 0 HH TYR A 86 14.514 -5.742 -8.247 1.00 0.00 H new ATOM 1419 N ASP A 87 17.238 2.431 -6.668 1.00 0.00 N ATOM 1420 CA ASP A 87 17.548 3.857 -6.649 1.00 0.00 C ATOM 1421 C ASP A 87 17.911 4.240 -8.045 1.00 0.00 C ATOM 1422 O ASP A 87 18.557 3.461 -8.754 1.00 0.00 O ATOM 1423 CB ASP A 87 18.692 4.274 -5.727 1.00 0.00 C ATOM 1424 CG ASP A 87 18.460 5.673 -5.207 1.00 0.00 C ATOM 1425 OD1 ASP A 87 18.369 6.629 -6.000 1.00 0.00 O ATOM 1426 OD2 ASP A 87 18.297 5.830 -3.987 1.00 0.00 O ATOM 0 H ASP A 87 17.060 2.090 -7.612 1.00 0.00 H new ATOM 0 HA ASP A 87 16.665 4.363 -6.259 1.00 0.00 H new ATOM 0 HB2 ASP A 87 18.769 3.576 -4.893 1.00 0.00 H new ATOM 0 HB3 ASP A 87 19.638 4.231 -6.267 1.00 0.00 H new ATOM 1431 N SER A 88 17.483 5.387 -8.463 1.00 0.00 N ATOM 1432 CA SER A 88 17.794 5.855 -9.780 1.00 0.00 C ATOM 1433 C SER A 88 18.315 7.292 -9.685 1.00 0.00 C ATOM 1434 O SER A 88 18.690 7.918 -10.693 1.00 0.00 O ATOM 1435 CB SER A 88 16.531 5.760 -10.665 1.00 0.00 C ATOM 1436 OG SER A 88 16.810 6.009 -12.037 1.00 0.00 O ATOM 0 H SER A 88 16.912 6.024 -7.908 1.00 0.00 H new ATOM 0 HA SER A 88 18.570 5.241 -10.237 1.00 0.00 H new ATOM 0 HB2 SER A 88 16.091 4.768 -10.561 1.00 0.00 H new ATOM 0 HB3 SER A 88 15.789 6.476 -10.312 1.00 0.00 H new ATOM 0 HG SER A 88 17.441 6.755 -12.112 1.00 0.00 H new ATOM 1442 N LEU A 89 18.409 7.793 -8.467 1.00 0.00 N ATOM 1443 CA LEU A 89 18.794 9.165 -8.262 1.00 0.00 C ATOM 1444 C LEU A 89 20.089 9.266 -7.478 1.00 0.00 C ATOM 1445 O LEU A 89 20.966 10.045 -7.839 1.00 0.00 O ATOM 1446 CB LEU A 89 17.675 9.948 -7.568 1.00 0.00 C ATOM 1447 CG LEU A 89 16.337 10.018 -8.315 1.00 0.00 C ATOM 1448 CD1 LEU A 89 15.313 10.787 -7.506 1.00 0.00 C ATOM 1449 CD2 LEU A 89 16.519 10.654 -9.688 1.00 0.00 C ATOM 0 H LEU A 89 18.224 7.268 -7.612 1.00 0.00 H new ATOM 0 HA LEU A 89 18.965 9.610 -9.242 1.00 0.00 H new ATOM 0 HB2 LEU A 89 17.499 9.501 -6.590 1.00 0.00 H new ATOM 0 HB3 LEU A 89 18.025 10.966 -7.395 1.00 0.00 H new ATOM 0 HG LEU A 89 15.972 9.000 -8.454 1.00 0.00 H new ATOM 0 HD11 LEU A 89 14.371 10.825 -8.053 1.00 0.00 H new ATOM 0 HD12 LEU A 89 15.157 10.289 -6.549 1.00 0.00 H new ATOM 0 HD13 LEU A 89 15.673 11.801 -7.333 1.00 0.00 H new ATOM 0 HD21 LEU A 89 15.558 10.694 -10.201 1.00 0.00 H new ATOM 0 HD22 LEU A 89 16.911 11.665 -9.572 1.00 0.00 H new ATOM 0 HD23 LEU A 89 17.219 10.059 -10.275 1.00 0.00 H new ATOM 1461 N LYS A 90 20.224 8.486 -6.417 1.00 0.00 N ATOM 1462 CA LYS A 90 21.430 8.540 -5.620 1.00 0.00 C ATOM 1463 C LYS A 90 22.086 7.178 -5.540 1.00 0.00 C ATOM 1464 O LYS A 90 21.828 6.395 -4.609 1.00 0.00 O ATOM 1465 CB LYS A 90 21.220 9.077 -4.172 1.00 0.00 C ATOM 1466 CG LYS A 90 20.436 10.380 -4.030 1.00 0.00 C ATOM 1467 CD LYS A 90 18.953 10.102 -3.959 1.00 0.00 C ATOM 1468 CE LYS A 90 18.123 11.361 -3.838 1.00 0.00 C ATOM 1469 NZ LYS A 90 16.696 11.033 -3.656 1.00 0.00 N ATOM 0 H LYS A 90 19.523 7.819 -6.095 1.00 0.00 H new ATOM 0 HA LYS A 90 22.073 9.252 -6.138 1.00 0.00 H new ATOM 0 HB2 LYS A 90 20.708 8.307 -3.595 1.00 0.00 H new ATOM 0 HB3 LYS A 90 22.200 9.218 -3.716 1.00 0.00 H new ATOM 0 HG2 LYS A 90 20.756 10.907 -3.131 1.00 0.00 H new ATOM 0 HG3 LYS A 90 20.649 11.033 -4.876 1.00 0.00 H new ATOM 0 HD2 LYS A 90 18.648 9.556 -4.852 1.00 0.00 H new ATOM 0 HD3 LYS A 90 18.750 9.456 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 90 18.475 11.954 -2.994 1.00 0.00 H new ATOM 0 HE3 LYS A 90 18.249 11.972 -4.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 16.145 11.912 -3.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 16.358 10.487 -4.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 16.577 10.469 -2.790 1.00 0.00 H new ATOM 1483 N LEU A 91 22.881 6.854 -6.516 1.00 0.00 N ATOM 1484 CA LEU A 91 23.646 5.647 -6.455 1.00 0.00 C ATOM 1485 C LEU A 91 24.956 5.946 -5.770 1.00 0.00 C ATOM 1486 O LEU A 91 25.997 6.129 -6.400 1.00 0.00 O ATOM 1487 CB LEU A 91 23.834 4.994 -7.830 1.00 0.00 C ATOM 1488 CG LEU A 91 22.542 4.515 -8.508 1.00 0.00 C ATOM 1489 CD1 LEU A 91 22.838 3.914 -9.863 1.00 0.00 C ATOM 1490 CD2 LEU A 91 21.821 3.504 -7.632 1.00 0.00 C ATOM 0 H LEU A 91 23.016 7.408 -7.362 1.00 0.00 H new ATOM 0 HA LEU A 91 23.098 4.907 -5.872 1.00 0.00 H new ATOM 0 HB2 LEU A 91 24.328 5.708 -8.489 1.00 0.00 H new ATOM 0 HB3 LEU A 91 24.506 4.142 -7.721 1.00 0.00 H new ATOM 0 HG LEU A 91 21.894 5.380 -8.648 1.00 0.00 H new ATOM 0 HD11 LEU A 91 21.908 3.582 -10.325 1.00 0.00 H new ATOM 0 HD12 LEU A 91 23.311 4.663 -10.498 1.00 0.00 H new ATOM 0 HD13 LEU A 91 23.509 3.063 -9.745 1.00 0.00 H new ATOM 0 HD21 LEU A 91 20.908 3.177 -8.130 1.00 0.00 H new ATOM 0 HD22 LEU A 91 22.469 2.644 -7.460 1.00 0.00 H new ATOM 0 HD23 LEU A 91 21.568 3.965 -6.677 1.00 0.00 H new ATOM 1502 N LYS A 92 24.851 6.098 -4.465 1.00 0.00 N ATOM 1503 CA LYS A 92 25.957 6.431 -3.608 1.00 0.00 C ATOM 1504 C LYS A 92 26.967 5.310 -3.610 1.00 0.00 C ATOM 1505 O LYS A 92 28.173 5.550 -3.584 1.00 0.00 O ATOM 1506 CB LYS A 92 25.438 6.694 -2.191 1.00 0.00 C ATOM 1507 CG LYS A 92 26.503 7.055 -1.163 1.00 0.00 C ATOM 1508 CD LYS A 92 25.887 7.309 0.210 1.00 0.00 C ATOM 1509 CE LYS A 92 25.139 6.087 0.733 1.00 0.00 C ATOM 1510 NZ LYS A 92 24.531 6.338 2.054 1.00 0.00 N ATOM 0 H LYS A 92 23.969 5.989 -3.964 1.00 0.00 H new ATOM 0 HA LYS A 92 26.449 7.332 -3.976 1.00 0.00 H new ATOM 0 HB2 LYS A 92 24.709 7.503 -2.233 1.00 0.00 H new ATOM 0 HB3 LYS A 92 24.909 5.806 -1.845 1.00 0.00 H new ATOM 0 HG2 LYS A 92 27.232 6.248 -1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 92 27.042 7.943 -1.492 1.00 0.00 H new ATOM 0 HD2 LYS A 92 26.672 7.583 0.915 1.00 0.00 H new ATOM 0 HD3 LYS A 92 25.203 8.155 0.150 1.00 0.00 H new ATOM 0 HE2 LYS A 92 24.361 5.806 0.023 1.00 0.00 H new ATOM 0 HE3 LYS A 92 25.826 5.244 0.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 24.032 5.484 2.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 25.275 6.581 2.738 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 23.856 7.126 1.982 1.00 0.00 H new ATOM 1524 N LYS A 93 26.478 4.100 -3.662 1.00 0.00 N ATOM 1525 CA LYS A 93 27.330 2.960 -3.680 1.00 0.00 C ATOM 1526 C LYS A 93 26.968 2.106 -4.869 1.00 0.00 C ATOM 1527 O LYS A 93 25.814 1.677 -5.005 1.00 0.00 O ATOM 1528 CB LYS A 93 27.232 2.187 -2.363 1.00 0.00 C ATOM 1529 CG LYS A 93 28.238 1.058 -2.240 1.00 0.00 C ATOM 1530 CD LYS A 93 28.282 0.482 -0.830 1.00 0.00 C ATOM 1531 CE LYS A 93 26.980 -0.178 -0.427 1.00 0.00 C ATOM 1532 NZ LYS A 93 26.651 -1.319 -1.298 1.00 0.00 N ATOM 0 H LYS A 93 25.481 3.886 -3.693 1.00 0.00 H new ATOM 0 HA LYS A 93 28.370 3.272 -3.778 1.00 0.00 H new ATOM 0 HB2 LYS A 93 27.375 2.880 -1.534 1.00 0.00 H new ATOM 0 HB3 LYS A 93 26.226 1.777 -2.267 1.00 0.00 H new ATOM 0 HG2 LYS A 93 27.984 0.268 -2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 93 29.228 1.423 -2.513 1.00 0.00 H new ATOM 0 HD2 LYS A 93 29.090 -0.247 -0.765 1.00 0.00 H new ATOM 0 HD3 LYS A 93 28.514 1.279 -0.124 1.00 0.00 H new ATOM 0 HE2 LYS A 93 27.050 -0.518 0.606 1.00 0.00 H new ATOM 0 HE3 LYS A 93 26.174 0.554 -0.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 26.108 -2.023 -0.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 26.083 -0.988 -2.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 27.529 -1.753 -1.648 1.00 0.00 H new ATOM 1546 N ASP A 94 27.939 1.887 -5.722 1.00 0.00 N ATOM 1547 CA ASP A 94 27.764 1.163 -6.975 1.00 0.00 C ATOM 1548 C ASP A 94 27.377 -0.291 -6.750 1.00 0.00 C ATOM 1549 O ASP A 94 26.185 -0.613 -6.741 1.00 0.00 O ATOM 1550 CB ASP A 94 29.015 1.295 -7.876 1.00 0.00 C ATOM 1551 CG ASP A 94 28.913 0.544 -9.202 1.00 0.00 C ATOM 1552 OD1 ASP A 94 28.196 1.003 -10.114 1.00 0.00 O ATOM 1553 OD2 ASP A 94 29.606 -0.489 -9.367 1.00 0.00 O ATOM 0 H ASP A 94 28.894 2.210 -5.569 1.00 0.00 H new ATOM 0 HA ASP A 94 26.929 1.626 -7.501 1.00 0.00 H new ATOM 0 HB2 ASP A 94 29.191 2.351 -8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 94 29.883 0.928 -7.329 1.00 0.00 H new ATOM 1558 N LEU A 95 28.347 -1.157 -6.489 1.00 0.00 N ATOM 1559 CA LEU A 95 28.060 -2.588 -6.349 1.00 0.00 C ATOM 1560 C LEU A 95 28.977 -3.269 -5.343 1.00 0.00 C ATOM 1561 O LEU A 95 29.171 -4.491 -5.388 1.00 0.00 O ATOM 1562 CB LEU A 95 28.162 -3.291 -7.715 1.00 0.00 C ATOM 1563 CG LEU A 95 27.088 -2.932 -8.749 1.00 0.00 C ATOM 1564 CD1 LEU A 95 27.421 -3.534 -10.091 1.00 0.00 C ATOM 1565 CD2 LEU A 95 25.724 -3.425 -8.288 1.00 0.00 C ATOM 0 H LEU A 95 29.328 -0.904 -6.370 1.00 0.00 H new ATOM 0 HA LEU A 95 27.042 -2.673 -5.970 1.00 0.00 H new ATOM 0 HB2 LEU A 95 29.138 -3.064 -8.144 1.00 0.00 H new ATOM 0 HB3 LEU A 95 28.129 -4.368 -7.548 1.00 0.00 H new ATOM 0 HG LEU A 95 27.060 -1.847 -8.848 1.00 0.00 H new ATOM 0 HD11 LEU A 95 26.647 -3.268 -10.811 1.00 0.00 H new ATOM 0 HD12 LEU A 95 28.382 -3.151 -10.433 1.00 0.00 H new ATOM 0 HD13 LEU A 95 27.474 -4.619 -10.000 1.00 0.00 H new ATOM 0 HD21 LEU A 95 24.972 -3.163 -9.032 1.00 0.00 H new ATOM 0 HD22 LEU A 95 25.751 -4.508 -8.165 1.00 0.00 H new ATOM 0 HD23 LEU A 95 25.471 -2.958 -7.336 1.00 0.00 H new ATOM 1577 N GLU A 96 29.533 -2.516 -4.437 1.00 0.00 N ATOM 1578 CA GLU A 96 30.368 -3.099 -3.419 1.00 0.00 C ATOM 1579 C GLU A 96 29.533 -3.519 -2.210 1.00 0.00 C ATOM 1580 O GLU A 96 29.367 -4.731 -1.986 1.00 0.00 O ATOM 1581 CB GLU A 96 31.565 -2.200 -3.052 1.00 0.00 C ATOM 1582 CG GLU A 96 31.236 -0.825 -2.500 1.00 0.00 C ATOM 1583 CD GLU A 96 32.472 0.008 -2.267 1.00 0.00 C ATOM 1584 OE1 GLU A 96 33.323 -0.362 -1.427 1.00 0.00 O ATOM 1585 OE2 GLU A 96 32.624 1.052 -2.910 1.00 0.00 O ATOM 1586 OXT GLU A 96 28.942 -2.660 -1.543 1.00 0.00 O ATOM 0 H GLU A 96 29.426 -1.503 -4.380 1.00 0.00 H new ATOM 0 HA GLU A 96 30.813 -4.006 -3.829 1.00 0.00 H new ATOM 0 HB2 GLU A 96 32.174 -2.726 -2.317 1.00 0.00 H new ATOM 0 HB3 GLU A 96 32.181 -2.072 -3.942 1.00 0.00 H new ATOM 0 HG2 GLU A 96 30.576 -0.305 -3.194 1.00 0.00 H new ATOM 0 HG3 GLU A 96 30.691 -0.933 -1.562 1.00 0.00 H new TER 1593 GLU A 96