USER MOD reduce.3.24.130724 H: found=0, std=0, add=853, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 854 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 1 MET CE :methyl -137:sc= -7.87! (180deg=-1.99!) USER MOD Set 1.2: A 21 MET CE :methyl 141:sc= -5.8! (180deg=-9.66!) USER MOD Set 1.3: A 42 HIS : no HD1:sc= -11.8! C(o=-25!,f=-26!) USER MOD Single : A 1 MET N :NH3+ -146:sc= -2.41! (180deg=-4.96!) USER MOD Single : A 2 ASN : amide:sc= -6.88! C(o=-6.9!,f=-6.7!) USER MOD Single : A 4 THR OG1 : rot 85:sc= -3.25! USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 ASN : amide:sc= 1.06 K(o=1.1,f=-0.41) USER MOD Single : A 9 THR OG1 : rot 72:sc= 0.741 USER MOD Single : A 12 SER OG : rot 180:sc= 0.155 USER MOD Single : A 16 THR OG1 : rot 80:sc= 0.261 USER MOD Single : A 20 ASN : amide:sc= -3.69! C(o=-3.7!,f=-10!) USER MOD Single : A 25 ASN : amide:sc= -0.658 K(o=-0.66,f=-0.13) USER MOD Single : A 29 MET CE :methyl 142:sc= -5.48! (180deg=-11.8!) USER MOD Single : A 31 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.174) USER MOD Single : A 32 GLN : amide:sc= -7.73! C(o=-7.7!,f=-10!) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 GLN : amide:sc= -1.01 K(o=-1,f=-6.8!) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.668 K(o=-0.67,f=-0.11) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= -0.696 USER MOD Single : A 84 SER OG : rot 180:sc= -0.398 USER MOD Single : A 85 GLN : amide:sc= -6.72! C(o=-6.7!,f=-7.9!) USER MOD Single : A 90 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 THR OG1 : rot -71:sc= -1.75! USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0656 USER MOD Single : A 98 SER OG : rot 134:sc= -2.51! USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 ASN : amide:sc= -3.28! C(o=-3.3!,f=-11!) USER MOD Single : A 120 ASN : amide:sc= -0.452 X(o=-0.45,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.100 4.911 -3.668 1.00 0.00 N ATOM 2 CA MET A 1 -5.460 6.244 -3.467 1.00 0.00 C ATOM 3 C MET A 1 -4.289 6.112 -2.478 1.00 0.00 C ATOM 4 O MET A 1 -3.424 5.275 -2.644 1.00 0.00 O ATOM 5 CB MET A 1 -6.573 7.125 -2.893 1.00 0.00 C ATOM 6 CG MET A 1 -7.773 7.120 -3.844 1.00 0.00 C ATOM 7 SD MET A 1 -9.305 7.022 -2.886 1.00 0.00 S ATOM 8 CE MET A 1 -9.822 5.378 -3.442 1.00 0.00 C ATOM 0 H1 MET A 1 -6.440 4.833 -4.648 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.404 4.160 -3.483 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.902 4.809 -3.014 1.00 0.00 H new ATOM 0 HA MET A 1 -5.050 6.664 -4.385 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.872 6.757 -1.912 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.210 8.143 -2.755 1.00 0.00 H new ATOM 0 HG2 MET A 1 -7.771 8.023 -4.454 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.705 6.274 -4.528 1.00 0.00 H new ATOM 0 HE1 MET A 1 -10.891 5.385 -3.655 1.00 0.00 H new ATOM 0 HE2 MET A 1 -9.274 5.110 -4.345 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.613 4.647 -2.661 1.00 0.00 H new ATOM 20 N ASN A 2 -4.256 6.913 -1.440 1.00 0.00 N ATOM 21 CA ASN A 2 -3.145 6.798 -0.444 1.00 0.00 C ATOM 22 C ASN A 2 -3.443 5.584 0.490 1.00 0.00 C ATOM 23 O ASN A 2 -4.135 5.710 1.489 1.00 0.00 O ATOM 24 CB ASN A 2 -3.211 8.113 0.340 1.00 0.00 C ATOM 25 CG ASN A 2 -1.978 8.216 1.251 1.00 0.00 C ATOM 26 OD1 ASN A 2 -0.889 7.862 0.846 1.00 0.00 O ATOM 27 ND2 ASN A 2 -2.092 8.680 2.471 1.00 0.00 N ATOM 0 H ASN A 2 -4.946 7.637 -1.240 1.00 0.00 H new ATOM 0 HA ASN A 2 -2.163 6.640 -0.891 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -3.243 8.959 -0.346 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -4.123 8.151 0.936 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -1.270 8.742 3.072 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -3.003 8.980 2.820 1.00 0.00 H new ATOM 34 N LEU A 3 -2.964 4.398 0.147 1.00 0.00 N ATOM 35 CA LEU A 3 -3.266 3.182 1.007 1.00 0.00 C ATOM 36 C LEU A 3 -3.158 3.538 2.487 1.00 0.00 C ATOM 37 O LEU A 3 -3.938 3.090 3.285 1.00 0.00 O ATOM 38 CB LEU A 3 -2.199 2.102 0.663 1.00 0.00 C ATOM 39 CG LEU A 3 -2.804 0.687 0.400 1.00 0.00 C ATOM 40 CD1 LEU A 3 -4.337 0.660 0.490 1.00 0.00 C ATOM 41 CD2 LEU A 3 -2.386 0.197 -0.993 1.00 0.00 C ATOM 0 H LEU A 3 -2.387 4.217 -0.675 1.00 0.00 H new ATOM 0 HA LEU A 3 -4.277 2.823 0.813 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -1.644 2.420 -0.219 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -1.484 2.036 1.483 1.00 0.00 H new ATOM 0 HG LEU A 3 -2.416 0.033 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -4.695 -0.351 0.297 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -4.648 0.971 1.487 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -4.757 1.341 -0.250 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -2.810 -0.791 -1.174 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -2.752 0.892 -1.748 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -1.299 0.141 -1.048 1.00 0.00 H new ATOM 53 N THR A 4 -2.189 4.317 2.867 1.00 0.00 N ATOM 54 CA THR A 4 -2.067 4.652 4.321 1.00 0.00 C ATOM 55 C THR A 4 -3.356 5.361 4.762 1.00 0.00 C ATOM 56 O THR A 4 -3.844 5.155 5.857 1.00 0.00 O ATOM 57 CB THR A 4 -0.817 5.556 4.454 1.00 0.00 C ATOM 58 OG1 THR A 4 0.177 5.107 3.549 1.00 0.00 O ATOM 59 CG2 THR A 4 -0.271 5.486 5.875 1.00 0.00 C ATOM 0 H THR A 4 -1.487 4.732 2.254 1.00 0.00 H new ATOM 0 HA THR A 4 -1.946 3.776 4.959 1.00 0.00 H new ATOM 0 HB THR A 4 -1.092 6.586 4.228 1.00 0.00 H new ATOM 0 HG1 THR A 4 0.018 5.502 2.666 1.00 0.00 H new ATOM 0 HG21 THR A 4 0.608 6.125 5.959 1.00 0.00 H new ATOM 0 HG22 THR A 4 -1.034 5.825 6.575 1.00 0.00 H new ATOM 0 HG23 THR A 4 0.004 4.458 6.109 1.00 0.00 H new ATOM 67 N GLU A 5 -3.947 6.155 3.898 1.00 0.00 N ATOM 68 CA GLU A 5 -5.232 6.817 4.265 1.00 0.00 C ATOM 69 C GLU A 5 -6.339 5.754 4.259 1.00 0.00 C ATOM 70 O GLU A 5 -7.139 5.681 5.171 1.00 0.00 O ATOM 71 CB GLU A 5 -5.459 7.907 3.200 1.00 0.00 C ATOM 72 CG GLU A 5 -6.556 7.500 2.206 1.00 0.00 C ATOM 73 CD GLU A 5 -6.913 8.699 1.325 1.00 0.00 C ATOM 74 OE1 GLU A 5 -6.571 9.808 1.702 1.00 0.00 O ATOM 75 OE2 GLU A 5 -7.523 8.488 0.289 1.00 0.00 O ATOM 0 H GLU A 5 -3.596 6.369 2.965 1.00 0.00 H new ATOM 0 HA GLU A 5 -5.225 7.269 5.257 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.736 8.842 3.687 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -4.529 8.092 2.662 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -6.213 6.670 1.588 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -7.439 7.154 2.743 1.00 0.00 H new ATOM 82 N LEU A 6 -6.380 4.902 3.255 1.00 0.00 N ATOM 83 CA LEU A 6 -7.410 3.846 3.239 1.00 0.00 C ATOM 84 C LEU A 6 -7.383 3.113 4.586 1.00 0.00 C ATOM 85 O LEU A 6 -8.394 2.970 5.244 1.00 0.00 O ATOM 86 CB LEU A 6 -6.952 2.943 2.090 1.00 0.00 C ATOM 87 CG LEU A 6 -8.086 2.695 1.088 1.00 0.00 C ATOM 88 CD1 LEU A 6 -9.421 2.619 1.814 1.00 0.00 C ATOM 89 CD2 LEU A 6 -8.133 3.838 0.075 1.00 0.00 C ATOM 0 H LEU A 6 -5.743 4.904 2.459 1.00 0.00 H new ATOM 0 HA LEU A 6 -8.431 4.200 3.099 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.106 3.403 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -6.603 1.991 2.490 1.00 0.00 H new ATOM 0 HG LEU A 6 -7.901 1.751 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -10.218 2.443 1.092 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -9.397 1.802 2.535 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -9.605 3.558 2.336 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -8.939 3.661 -0.637 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -8.309 4.779 0.596 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -7.184 3.891 -0.458 1.00 0.00 H new ATOM 101 N LYS A 7 -6.228 2.665 5.013 1.00 0.00 N ATOM 102 CA LYS A 7 -6.144 1.963 6.332 1.00 0.00 C ATOM 103 C LYS A 7 -6.551 2.921 7.458 1.00 0.00 C ATOM 104 O LYS A 7 -7.232 2.546 8.392 1.00 0.00 O ATOM 105 CB LYS A 7 -4.666 1.565 6.482 1.00 0.00 C ATOM 106 CG LYS A 7 -4.401 0.260 5.729 1.00 0.00 C ATOM 107 CD LYS A 7 -2.911 0.165 5.392 1.00 0.00 C ATOM 108 CE LYS A 7 -2.380 -1.217 5.784 1.00 0.00 C ATOM 109 NZ LYS A 7 -2.133 -1.133 7.251 1.00 0.00 N ATOM 0 H LYS A 7 -5.345 2.754 4.510 1.00 0.00 H new ATOM 0 HA LYS A 7 -6.806 1.099 6.383 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -4.026 2.356 6.093 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -4.418 1.444 7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -4.703 -0.592 6.338 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -4.995 0.226 4.816 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -2.758 0.335 4.326 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -2.358 0.941 5.921 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.103 -1.999 5.550 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -1.465 -1.456 5.243 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.767 -2.044 7.594 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.436 -0.385 7.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -3.023 -0.911 7.741 1.00 0.00 H new ATOM 123 N ASN A 8 -6.122 4.148 7.377 1.00 0.00 N ATOM 124 CA ASN A 8 -6.465 5.141 8.459 1.00 0.00 C ATOM 125 C ASN A 8 -7.972 5.367 8.541 1.00 0.00 C ATOM 126 O ASN A 8 -8.499 5.814 9.541 1.00 0.00 O ATOM 127 CB ASN A 8 -5.780 6.461 8.064 1.00 0.00 C ATOM 128 CG ASN A 8 -4.424 6.566 8.764 1.00 0.00 C ATOM 129 OD1 ASN A 8 -4.283 7.283 9.735 1.00 0.00 O ATOM 130 ND2 ASN A 8 -3.416 5.877 8.312 1.00 0.00 N ATOM 0 H ASN A 8 -5.551 4.515 6.616 1.00 0.00 H new ATOM 0 HA ASN A 8 -6.133 4.774 9.430 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -5.647 6.504 6.983 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -6.410 7.306 8.341 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -2.508 5.939 8.773 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -3.534 5.275 7.497 1.00 0.00 H new ATOM 137 N THR A 9 -8.652 5.056 7.498 1.00 0.00 N ATOM 138 CA THR A 9 -10.141 5.236 7.487 1.00 0.00 C ATOM 139 C THR A 9 -10.784 4.049 8.248 1.00 0.00 C ATOM 140 O THR A 9 -10.535 2.912 7.898 1.00 0.00 O ATOM 141 CB THR A 9 -10.565 5.280 5.993 1.00 0.00 C ATOM 142 OG1 THR A 9 -9.944 6.396 5.369 1.00 0.00 O ATOM 143 CG2 THR A 9 -12.086 5.432 5.891 1.00 0.00 C ATOM 0 H THR A 9 -8.255 4.681 6.637 1.00 0.00 H new ATOM 0 HA THR A 9 -10.466 6.151 7.981 1.00 0.00 H new ATOM 0 HB THR A 9 -10.260 4.357 5.501 1.00 0.00 H new ATOM 0 HG1 THR A 9 -8.984 6.224 5.270 1.00 0.00 H new ATOM 0 HG21 THR A 9 -12.379 5.462 4.842 1.00 0.00 H new ATOM 0 HG22 THR A 9 -12.570 4.586 6.378 1.00 0.00 H new ATOM 0 HG23 THR A 9 -12.393 6.356 6.380 1.00 0.00 H new ATOM 151 N PRO A 10 -11.557 4.321 9.296 1.00 0.00 N ATOM 152 CA PRO A 10 -12.164 3.209 10.105 1.00 0.00 C ATOM 153 C PRO A 10 -13.044 2.256 9.233 1.00 0.00 C ATOM 154 O PRO A 10 -13.523 2.647 8.189 1.00 0.00 O ATOM 155 CB PRO A 10 -13.009 3.972 11.160 1.00 0.00 C ATOM 156 CG PRO A 10 -13.249 5.280 10.514 1.00 0.00 C ATOM 157 CD PRO A 10 -11.964 5.629 9.845 1.00 0.00 C ATOM 0 HA PRO A 10 -11.417 2.549 10.547 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -13.942 3.454 11.380 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -12.474 4.080 12.103 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -14.064 5.219 9.793 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -13.529 6.036 11.248 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -12.097 6.378 9.065 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -11.230 6.026 10.546 1.00 0.00 H new ATOM 165 N VAL A 11 -13.243 0.995 9.643 1.00 0.00 N ATOM 166 CA VAL A 11 -14.081 0.048 8.782 1.00 0.00 C ATOM 167 C VAL A 11 -15.364 0.754 8.297 1.00 0.00 C ATOM 168 O VAL A 11 -15.665 0.749 7.128 1.00 0.00 O ATOM 169 CB VAL A 11 -14.466 -1.217 9.637 1.00 0.00 C ATOM 170 CG1 VAL A 11 -15.712 -0.969 10.490 1.00 0.00 C ATOM 171 CG2 VAL A 11 -14.780 -2.392 8.705 1.00 0.00 C ATOM 0 H VAL A 11 -12.875 0.594 10.506 1.00 0.00 H new ATOM 0 HA VAL A 11 -13.499 -0.253 7.911 1.00 0.00 H new ATOM 0 HB VAL A 11 -13.618 -1.434 10.287 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -15.944 -1.866 11.065 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -15.527 -0.139 11.172 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -16.554 -0.725 9.842 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -15.046 -3.266 9.299 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -15.614 -2.128 8.054 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -13.904 -2.619 8.098 1.00 0.00 H new ATOM 181 N SER A 12 -16.121 1.346 9.188 1.00 0.00 N ATOM 182 CA SER A 12 -17.384 2.038 8.776 1.00 0.00 C ATOM 183 C SER A 12 -17.094 3.107 7.726 1.00 0.00 C ATOM 184 O SER A 12 -17.819 3.249 6.764 1.00 0.00 O ATOM 185 CB SER A 12 -17.930 2.661 10.057 1.00 0.00 C ATOM 186 OG SER A 12 -17.580 1.840 11.164 1.00 0.00 O ATOM 0 H SER A 12 -15.918 1.380 10.187 1.00 0.00 H new ATOM 0 HA SER A 12 -18.100 1.352 8.323 1.00 0.00 H new ATOM 0 HB2 SER A 12 -17.523 3.663 10.190 1.00 0.00 H new ATOM 0 HB3 SER A 12 -19.013 2.763 9.993 1.00 0.00 H new ATOM 0 HG SER A 12 -17.928 2.238 11.989 1.00 0.00 H new ATOM 192 N GLU A 13 -16.037 3.856 7.887 1.00 0.00 N ATOM 193 CA GLU A 13 -15.746 4.886 6.860 1.00 0.00 C ATOM 194 C GLU A 13 -15.333 4.164 5.568 1.00 0.00 C ATOM 195 O GLU A 13 -15.551 4.656 4.479 1.00 0.00 O ATOM 196 CB GLU A 13 -14.603 5.732 7.426 1.00 0.00 C ATOM 197 CG GLU A 13 -15.164 6.734 8.438 1.00 0.00 C ATOM 198 CD GLU A 13 -16.244 7.584 7.767 1.00 0.00 C ATOM 199 OE1 GLU A 13 -15.901 8.352 6.883 1.00 0.00 O ATOM 200 OE2 GLU A 13 -17.395 7.453 8.149 1.00 0.00 O ATOM 0 H GLU A 13 -15.380 3.800 8.665 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.600 5.523 6.629 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -13.864 5.090 7.905 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -14.093 6.260 6.620 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -15.582 6.206 9.295 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -14.365 7.373 8.815 1.00 0.00 H new ATOM 207 N LEU A 14 -14.789 2.971 5.675 1.00 0.00 N ATOM 208 CA LEU A 14 -14.424 2.203 4.455 1.00 0.00 C ATOM 209 C LEU A 14 -15.719 1.748 3.761 1.00 0.00 C ATOM 210 O LEU A 14 -15.845 1.848 2.558 1.00 0.00 O ATOM 211 CB LEU A 14 -13.629 1.003 4.986 1.00 0.00 C ATOM 212 CG LEU A 14 -12.117 1.268 4.897 1.00 0.00 C ATOM 213 CD1 LEU A 14 -11.811 2.737 5.162 1.00 0.00 C ATOM 214 CD2 LEU A 14 -11.392 0.438 5.954 1.00 0.00 C ATOM 0 H LEU A 14 -14.585 2.503 6.558 1.00 0.00 H new ATOM 0 HA LEU A 14 -13.846 2.774 3.728 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.908 0.805 6.021 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.881 0.111 4.412 1.00 0.00 H new ATOM 0 HG LEU A 14 -11.783 0.999 3.895 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -10.736 2.903 5.094 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -12.321 3.354 4.422 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.157 3.007 6.160 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -10.320 0.625 5.891 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -11.752 0.716 6.945 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -11.586 -0.621 5.781 1.00 0.00 H new ATOM 226 N ILE A 15 -16.706 1.265 4.510 1.00 0.00 N ATOM 227 CA ILE A 15 -17.970 0.855 3.829 1.00 0.00 C ATOM 228 C ILE A 15 -18.642 2.105 3.248 1.00 0.00 C ATOM 229 O ILE A 15 -19.157 2.062 2.161 1.00 0.00 O ATOM 230 CB ILE A 15 -18.894 0.154 4.853 1.00 0.00 C ATOM 231 CG1 ILE A 15 -18.407 -1.279 5.080 1.00 0.00 C ATOM 232 CG2 ILE A 15 -20.294 0.130 4.286 1.00 0.00 C ATOM 233 CD1 ILE A 15 -17.788 -1.393 6.474 1.00 0.00 C ATOM 0 H ILE A 15 -16.683 1.145 5.523 1.00 0.00 H new ATOM 0 HA ILE A 15 -17.763 0.157 3.018 1.00 0.00 H new ATOM 0 HB ILE A 15 -18.882 0.688 5.803 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -19.239 -1.977 4.982 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -17.673 -1.549 4.321 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -20.964 -0.360 4.992 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -20.634 1.151 4.113 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -20.296 -0.418 3.344 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -17.441 -2.414 6.636 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -16.945 -0.706 6.555 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -18.536 -1.140 7.226 1.00 0.00 H new ATOM 245 N THR A 16 -18.645 3.227 3.945 1.00 0.00 N ATOM 246 CA THR A 16 -19.289 4.428 3.345 1.00 0.00 C ATOM 247 C THR A 16 -18.514 4.840 2.071 1.00 0.00 C ATOM 248 O THR A 16 -19.105 5.217 1.074 1.00 0.00 O ATOM 249 CB THR A 16 -19.273 5.528 4.435 1.00 0.00 C ATOM 250 OG1 THR A 16 -19.993 5.065 5.569 1.00 0.00 O ATOM 251 CG2 THR A 16 -19.945 6.797 3.903 1.00 0.00 C ATOM 0 H THR A 16 -18.241 3.352 4.873 1.00 0.00 H new ATOM 0 HA THR A 16 -20.318 4.243 3.036 1.00 0.00 H new ATOM 0 HB THR A 16 -18.242 5.752 4.708 1.00 0.00 H new ATOM 0 HG1 THR A 16 -19.425 4.462 6.093 1.00 0.00 H new ATOM 0 HG21 THR A 16 -19.931 7.567 4.674 1.00 0.00 H new ATOM 0 HG22 THR A 16 -19.406 7.153 3.025 1.00 0.00 H new ATOM 0 HG23 THR A 16 -20.977 6.575 3.631 1.00 0.00 H new ATOM 259 N LEU A 17 -17.192 4.732 2.078 1.00 0.00 N ATOM 260 CA LEU A 17 -16.421 5.091 0.853 1.00 0.00 C ATOM 261 C LEU A 17 -16.773 4.097 -0.261 1.00 0.00 C ATOM 262 O LEU A 17 -16.907 4.472 -1.406 1.00 0.00 O ATOM 263 CB LEU A 17 -14.930 5.002 1.232 1.00 0.00 C ATOM 264 CG LEU A 17 -14.419 6.391 1.625 1.00 0.00 C ATOM 265 CD1 LEU A 17 -14.471 6.550 3.145 1.00 0.00 C ATOM 266 CD2 LEU A 17 -12.973 6.552 1.149 1.00 0.00 C ATOM 0 H LEU A 17 -16.634 4.415 2.871 1.00 0.00 H new ATOM 0 HA LEU A 17 -16.655 6.093 0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -14.795 4.306 2.060 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -14.353 4.615 0.392 1.00 0.00 H new ATOM 0 HG LEU A 17 -15.047 7.151 1.161 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -14.106 7.540 3.420 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -15.499 6.434 3.488 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -13.845 5.790 3.612 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -12.606 7.540 1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -12.349 5.789 1.615 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -12.932 6.442 0.065 1.00 0.00 H new ATOM 278 N GLY A 18 -16.958 2.833 0.062 1.00 0.00 N ATOM 279 CA GLY A 18 -17.339 1.851 -1.024 1.00 0.00 C ATOM 280 C GLY A 18 -18.752 2.198 -1.522 1.00 0.00 C ATOM 281 O GLY A 18 -18.998 2.217 -2.711 1.00 0.00 O ATOM 0 H GLY A 18 -16.866 2.443 1.000 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -16.625 1.900 -1.846 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -17.313 0.832 -0.639 1.00 0.00 H new ATOM 285 N GLU A 19 -19.689 2.495 -0.638 1.00 0.00 N ATOM 286 CA GLU A 19 -21.049 2.854 -1.124 1.00 0.00 C ATOM 287 C GLU A 19 -20.922 4.084 -2.031 1.00 0.00 C ATOM 288 O GLU A 19 -21.589 4.178 -3.043 1.00 0.00 O ATOM 289 CB GLU A 19 -21.902 3.107 0.150 1.00 0.00 C ATOM 290 CG GLU A 19 -21.764 4.544 0.659 1.00 0.00 C ATOM 291 CD GLU A 19 -23.127 5.235 0.595 1.00 0.00 C ATOM 292 OE1 GLU A 19 -24.123 4.548 0.749 1.00 0.00 O ATOM 293 OE2 GLU A 19 -23.151 6.437 0.394 1.00 0.00 O ATOM 0 H GLU A 19 -19.565 2.502 0.374 1.00 0.00 H new ATOM 0 HA GLU A 19 -21.529 2.078 -1.719 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -22.949 2.899 -0.068 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -21.596 2.414 0.934 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -21.390 4.545 1.683 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -21.039 5.088 0.054 1.00 0.00 H new ATOM 300 N ASN A 20 -20.059 5.025 -1.707 1.00 0.00 N ATOM 301 CA ASN A 20 -19.924 6.202 -2.616 1.00 0.00 C ATOM 302 C ASN A 20 -19.453 5.726 -4.003 1.00 0.00 C ATOM 303 O ASN A 20 -19.749 6.335 -5.012 1.00 0.00 O ATOM 304 CB ASN A 20 -18.881 7.189 -2.014 1.00 0.00 C ATOM 305 CG ASN A 20 -19.260 7.562 -0.573 1.00 0.00 C ATOM 306 OD1 ASN A 20 -18.507 7.310 0.346 1.00 0.00 O ATOM 307 ND2 ASN A 20 -20.392 8.180 -0.338 1.00 0.00 N ATOM 0 H ASN A 20 -19.463 5.027 -0.879 1.00 0.00 H new ATOM 0 HA ASN A 20 -20.885 6.705 -2.719 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -17.891 6.734 -2.029 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -18.828 8.089 -2.627 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -20.639 8.448 0.615 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -21.026 8.393 -1.108 1.00 0.00 H new ATOM 314 N MET A 21 -18.718 4.640 -4.055 1.00 0.00 N ATOM 315 CA MET A 21 -18.220 4.118 -5.369 1.00 0.00 C ATOM 316 C MET A 21 -19.068 2.927 -5.851 1.00 0.00 C ATOM 317 O MET A 21 -18.687 2.236 -6.775 1.00 0.00 O ATOM 318 CB MET A 21 -16.769 3.666 -5.102 1.00 0.00 C ATOM 319 CG MET A 21 -16.020 4.787 -4.380 1.00 0.00 C ATOM 320 SD MET A 21 -14.242 4.590 -4.643 1.00 0.00 S ATOM 321 CE MET A 21 -14.294 4.607 -6.449 1.00 0.00 C ATOM 0 H MET A 21 -18.441 4.091 -3.242 1.00 0.00 H new ATOM 0 HA MET A 21 -18.281 4.878 -6.148 1.00 0.00 H new ATOM 0 HB2 MET A 21 -16.763 2.759 -4.497 1.00 0.00 H new ATOM 0 HB3 MET A 21 -16.271 3.426 -6.041 1.00 0.00 H new ATOM 0 HG2 MET A 21 -16.348 5.757 -4.753 1.00 0.00 H new ATOM 0 HG3 MET A 21 -16.246 4.762 -3.314 1.00 0.00 H new ATOM 0 HE1 MET A 21 -13.439 5.165 -6.832 1.00 0.00 H new ATOM 0 HE2 MET A 21 -14.258 3.584 -6.824 1.00 0.00 H new ATOM 0 HE3 MET A 21 -15.216 5.083 -6.782 1.00 0.00 H new ATOM 331 N GLY A 22 -20.216 2.672 -5.259 1.00 0.00 N ATOM 332 CA GLY A 22 -21.039 1.516 -5.752 1.00 0.00 C ATOM 333 C GLY A 22 -20.930 0.306 -4.803 1.00 0.00 C ATOM 334 O GLY A 22 -21.800 -0.542 -4.785 1.00 0.00 O ATOM 0 H GLY A 22 -20.610 3.197 -4.478 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -22.082 1.820 -5.839 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -20.707 1.229 -6.750 1.00 0.00 H new ATOM 338 N LEU A 23 -19.884 0.202 -4.015 1.00 0.00 N ATOM 339 CA LEU A 23 -19.774 -0.975 -3.092 1.00 0.00 C ATOM 340 C LEU A 23 -20.653 -0.749 -1.856 1.00 0.00 C ATOM 341 O LEU A 23 -20.235 -0.145 -0.889 1.00 0.00 O ATOM 342 CB LEU A 23 -18.289 -1.068 -2.672 1.00 0.00 C ATOM 343 CG LEU A 23 -17.409 -1.018 -3.927 1.00 0.00 C ATOM 344 CD1 LEU A 23 -16.934 0.414 -4.154 1.00 0.00 C ATOM 345 CD2 LEU A 23 -16.190 -1.932 -3.757 1.00 0.00 C ATOM 0 H LEU A 23 -19.114 0.869 -3.970 1.00 0.00 H new ATOM 0 HA LEU A 23 -20.104 -1.893 -3.579 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -18.036 -0.247 -2.002 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -18.110 -1.993 -2.124 1.00 0.00 H new ATOM 0 HG LEU A 23 -17.993 -1.358 -4.782 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -16.308 0.453 -5.046 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -17.797 1.067 -4.288 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -16.357 0.747 -3.291 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -15.574 -1.887 -4.655 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -15.605 -1.602 -2.898 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -16.524 -2.957 -3.597 1.00 0.00 H new ATOM 357 N GLU A 24 -21.865 -1.229 -1.879 1.00 0.00 N ATOM 358 CA GLU A 24 -22.765 -1.058 -0.710 1.00 0.00 C ATOM 359 C GLU A 24 -22.937 -2.405 -0.003 1.00 0.00 C ATOM 360 O GLU A 24 -22.464 -3.430 -0.452 1.00 0.00 O ATOM 361 CB GLU A 24 -24.114 -0.583 -1.303 1.00 0.00 C ATOM 362 CG GLU A 24 -24.879 -1.799 -1.894 1.00 0.00 C ATOM 363 CD GLU A 24 -25.555 -1.384 -3.202 1.00 0.00 C ATOM 364 OE1 GLU A 24 -26.495 -0.607 -3.141 1.00 0.00 O ATOM 365 OE2 GLU A 24 -25.124 -1.850 -4.244 1.00 0.00 O ATOM 0 H GLU A 24 -22.272 -1.736 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 24 -22.376 -0.349 0.020 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -24.714 -0.104 -0.530 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -23.940 0.162 -2.079 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -24.190 -2.624 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -25.625 -2.155 -1.183 1.00 0.00 H new ATOM 372 N ASN A 25 -23.630 -2.393 1.086 1.00 0.00 N ATOM 373 CA ASN A 25 -23.881 -3.667 1.851 1.00 0.00 C ATOM 374 C ASN A 25 -22.567 -4.283 2.372 1.00 0.00 C ATOM 375 O ASN A 25 -22.501 -5.461 2.664 1.00 0.00 O ATOM 376 CB ASN A 25 -24.537 -4.608 0.827 1.00 0.00 C ATOM 377 CG ASN A 25 -25.969 -4.926 1.267 1.00 0.00 C ATOM 378 OD1 ASN A 25 -26.860 -5.026 0.447 1.00 0.00 O ATOM 379 ND2 ASN A 25 -26.232 -5.089 2.537 1.00 0.00 N ATOM 0 H ASN A 25 -24.045 -1.557 1.497 1.00 0.00 H new ATOM 0 HA ASN A 25 -24.503 -3.492 2.729 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -24.543 -4.142 -0.158 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -23.959 -5.528 0.741 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -27.184 -5.300 2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -25.486 -5.006 3.227 1.00 0.00 H new ATOM 386 N LEU A 26 -21.527 -3.503 2.487 1.00 0.00 N ATOM 387 CA LEU A 26 -20.218 -4.050 2.987 1.00 0.00 C ATOM 388 C LEU A 26 -20.234 -4.237 4.513 1.00 0.00 C ATOM 389 O LEU A 26 -19.308 -4.783 5.077 1.00 0.00 O ATOM 390 CB LEU A 26 -19.129 -3.036 2.612 1.00 0.00 C ATOM 391 CG LEU A 26 -18.717 -3.267 1.149 1.00 0.00 C ATOM 392 CD1 LEU A 26 -19.098 -2.058 0.303 1.00 0.00 C ATOM 393 CD2 LEU A 26 -17.204 -3.485 1.046 1.00 0.00 C ATOM 0 H LEU A 26 -21.520 -2.509 2.258 1.00 0.00 H new ATOM 0 HA LEU A 26 -20.033 -5.026 2.538 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -19.499 -2.019 2.743 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -18.267 -3.149 3.269 1.00 0.00 H new ATOM 0 HG LEU A 26 -19.236 -4.153 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.802 -2.230 -0.732 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -20.176 -1.905 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -18.588 -1.173 0.683 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.930 -3.647 0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.683 -2.606 1.426 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.921 -4.357 1.635 1.00 0.00 H new ATOM 405 N ALA A 27 -21.257 -3.783 5.200 1.00 0.00 N ATOM 406 CA ALA A 27 -21.269 -3.949 6.685 1.00 0.00 C ATOM 407 C ALA A 27 -20.879 -5.379 7.026 1.00 0.00 C ATOM 408 O ALA A 27 -20.277 -5.653 8.045 1.00 0.00 O ATOM 409 CB ALA A 27 -22.704 -3.660 7.137 1.00 0.00 C ATOM 0 H ALA A 27 -22.070 -3.313 4.803 1.00 0.00 H new ATOM 0 HA ALA A 27 -20.566 -3.279 7.181 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -22.773 -3.767 8.220 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -22.977 -2.643 6.855 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -23.385 -4.364 6.659 1.00 0.00 H new ATOM 415 N ARG A 28 -21.222 -6.291 6.172 1.00 0.00 N ATOM 416 CA ARG A 28 -20.881 -7.716 6.426 1.00 0.00 C ATOM 417 C ARG A 28 -19.416 -8.026 6.039 1.00 0.00 C ATOM 418 O ARG A 28 -18.956 -9.139 6.198 1.00 0.00 O ATOM 419 CB ARG A 28 -21.870 -8.512 5.556 1.00 0.00 C ATOM 420 CG ARG A 28 -21.370 -8.615 4.106 1.00 0.00 C ATOM 421 CD ARG A 28 -20.268 -9.667 4.014 1.00 0.00 C ATOM 422 NE ARG A 28 -20.509 -10.371 2.726 1.00 0.00 N ATOM 423 CZ ARG A 28 -19.805 -11.427 2.421 1.00 0.00 C ATOM 424 NH1 ARG A 28 -18.507 -11.402 2.548 1.00 0.00 N ATOM 425 NH2 ARG A 28 -20.400 -12.506 1.995 1.00 0.00 N ATOM 0 H ARG A 28 -21.727 -6.114 5.303 1.00 0.00 H new ATOM 0 HA ARG A 28 -20.962 -7.974 7.482 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -22.002 -9.511 5.971 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -22.847 -8.028 5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -22.195 -8.880 3.445 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -20.992 -7.649 3.772 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -19.281 -9.206 4.032 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -20.312 -10.359 4.855 1.00 0.00 H new ATOM 0 HE ARG A 28 -21.223 -10.029 2.083 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -18.044 -10.558 2.885 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -17.955 -12.226 2.310 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -21.415 -12.525 1.900 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -19.850 -13.331 1.757 1.00 0.00 H new ATOM 439 N MET A 29 -18.685 -7.068 5.517 1.00 0.00 N ATOM 440 CA MET A 29 -17.291 -7.313 5.110 1.00 0.00 C ATOM 441 C MET A 29 -16.298 -6.789 6.152 1.00 0.00 C ATOM 442 O MET A 29 -16.626 -5.968 6.986 1.00 0.00 O ATOM 443 CB MET A 29 -17.163 -6.514 3.833 1.00 0.00 C ATOM 444 CG MET A 29 -18.050 -7.162 2.777 1.00 0.00 C ATOM 445 SD MET A 29 -17.373 -6.847 1.134 1.00 0.00 S ATOM 446 CE MET A 29 -15.695 -7.370 1.531 1.00 0.00 C ATOM 0 H MET A 29 -19.014 -6.116 5.359 1.00 0.00 H new ATOM 0 HA MET A 29 -17.072 -8.375 4.995 1.00 0.00 H new ATOM 0 HB2 MET A 29 -17.464 -5.480 4.000 1.00 0.00 H new ATOM 0 HB3 MET A 29 -16.126 -6.495 3.499 1.00 0.00 H new ATOM 0 HG2 MET A 29 -18.116 -8.236 2.953 1.00 0.00 H new ATOM 0 HG3 MET A 29 -19.063 -6.765 2.846 1.00 0.00 H new ATOM 0 HE1 MET A 29 -15.269 -7.902 0.680 1.00 0.00 H new ATOM 0 HE2 MET A 29 -15.085 -6.495 1.755 1.00 0.00 H new ATOM 0 HE3 MET A 29 -15.715 -8.030 2.398 1.00 0.00 H new ATOM 456 N ARG A 30 -15.079 -7.241 6.083 1.00 0.00 N ATOM 457 CA ARG A 30 -14.030 -6.762 7.037 1.00 0.00 C ATOM 458 C ARG A 30 -13.313 -5.521 6.474 1.00 0.00 C ATOM 459 O ARG A 30 -13.395 -5.217 5.312 1.00 0.00 O ATOM 460 CB ARG A 30 -13.052 -7.931 7.171 1.00 0.00 C ATOM 461 CG ARG A 30 -12.678 -8.118 8.644 1.00 0.00 C ATOM 462 CD ARG A 30 -11.219 -8.570 8.745 1.00 0.00 C ATOM 463 NE ARG A 30 -10.740 -8.042 10.054 1.00 0.00 N ATOM 464 CZ ARG A 30 -9.541 -7.538 10.153 1.00 0.00 C ATOM 465 NH1 ARG A 30 -8.502 -8.327 10.171 1.00 0.00 N ATOM 466 NH2 ARG A 30 -9.379 -6.246 10.238 1.00 0.00 N ATOM 0 H ARG A 30 -14.757 -7.928 5.402 1.00 0.00 H new ATOM 0 HA ARG A 30 -14.454 -6.470 7.998 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -13.503 -8.843 6.781 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -12.157 -7.740 6.579 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -12.819 -7.184 9.188 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -13.332 -8.858 9.106 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -11.139 -9.656 8.705 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -10.626 -8.176 7.920 1.00 0.00 H new ATOM 0 HE ARG A 30 -11.349 -8.075 10.871 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -8.628 -9.337 10.108 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -7.564 -7.934 10.248 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -10.191 -5.628 10.227 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.441 -5.854 10.315 1.00 0.00 H new ATOM 480 N LYS A 31 -12.607 -4.814 7.317 1.00 0.00 N ATOM 481 CA LYS A 31 -11.868 -3.594 6.869 1.00 0.00 C ATOM 482 C LYS A 31 -10.915 -3.920 5.710 1.00 0.00 C ATOM 483 O LYS A 31 -10.791 -3.155 4.783 1.00 0.00 O ATOM 484 CB LYS A 31 -11.071 -3.166 8.105 1.00 0.00 C ATOM 485 CG LYS A 31 -10.046 -2.097 7.720 1.00 0.00 C ATOM 486 CD LYS A 31 -8.661 -2.518 8.218 1.00 0.00 C ATOM 487 CE LYS A 31 -8.660 -2.568 9.748 1.00 0.00 C ATOM 488 NZ LYS A 31 -8.517 -1.149 10.180 1.00 0.00 N ATOM 0 H LYS A 31 -12.509 -5.032 8.309 1.00 0.00 H new ATOM 0 HA LYS A 31 -12.539 -2.817 6.504 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -11.746 -2.777 8.867 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -10.565 -4.028 8.538 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -10.031 -1.965 6.638 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -10.325 -1.137 8.155 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.399 -3.495 7.812 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.907 -1.814 7.866 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.583 -3.006 10.129 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.839 -3.179 10.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.575 -1.007 10.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.629 -0.523 9.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -9.247 -0.926 10.887 1.00 0.00 H new ATOM 502 N GLN A 32 -10.220 -5.030 5.780 1.00 0.00 N ATOM 503 CA GLN A 32 -9.231 -5.392 4.683 1.00 0.00 C ATOM 504 C GLN A 32 -9.927 -5.618 3.320 1.00 0.00 C ATOM 505 O GLN A 32 -9.560 -5.029 2.324 1.00 0.00 O ATOM 506 CB GLN A 32 -8.431 -6.675 5.143 1.00 0.00 C ATOM 507 CG GLN A 32 -9.347 -7.874 5.564 1.00 0.00 C ATOM 508 CD GLN A 32 -9.729 -8.685 4.321 1.00 0.00 C ATOM 509 OE1 GLN A 32 -10.879 -9.032 4.142 1.00 0.00 O ATOM 510 NE2 GLN A 32 -8.807 -9.011 3.453 1.00 0.00 N ATOM 0 H GLN A 32 -10.285 -5.706 6.541 1.00 0.00 H new ATOM 0 HA GLN A 32 -8.544 -4.560 4.531 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.779 -6.996 4.331 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -7.788 -6.409 5.982 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -8.826 -8.510 6.280 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -10.244 -7.504 6.060 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -7.841 -8.720 3.602 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.054 -9.556 2.627 1.00 0.00 H new ATOM 519 N ASP A 33 -10.910 -6.462 3.259 1.00 0.00 N ATOM 520 CA ASP A 33 -11.609 -6.711 1.975 1.00 0.00 C ATOM 521 C ASP A 33 -12.371 -5.447 1.559 1.00 0.00 C ATOM 522 O ASP A 33 -12.366 -5.078 0.400 1.00 0.00 O ATOM 523 CB ASP A 33 -12.545 -7.880 2.259 1.00 0.00 C ATOM 524 CG ASP A 33 -13.342 -7.620 3.539 1.00 0.00 C ATOM 525 OD1 ASP A 33 -14.056 -6.633 3.579 1.00 0.00 O ATOM 526 OD2 ASP A 33 -13.223 -8.414 4.456 1.00 0.00 O ATOM 0 H ASP A 33 -11.264 -6.996 4.052 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.935 -6.948 1.152 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.226 -8.022 1.420 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -11.969 -8.800 2.361 1.00 0.00 H new ATOM 531 N ILE A 34 -13.007 -4.751 2.480 1.00 0.00 N ATOM 532 CA ILE A 34 -13.711 -3.511 2.073 1.00 0.00 C ATOM 533 C ILE A 34 -12.686 -2.502 1.507 1.00 0.00 C ATOM 534 O ILE A 34 -12.961 -1.846 0.524 1.00 0.00 O ATOM 535 CB ILE A 34 -14.360 -2.988 3.361 1.00 0.00 C ATOM 536 CG1 ILE A 34 -15.579 -3.843 3.707 1.00 0.00 C ATOM 537 CG2 ILE A 34 -14.804 -1.548 3.161 1.00 0.00 C ATOM 538 CD1 ILE A 34 -15.792 -3.852 5.223 1.00 0.00 C ATOM 0 H ILE A 34 -13.063 -4.990 3.470 1.00 0.00 H new ATOM 0 HA ILE A 34 -14.456 -3.675 1.294 1.00 0.00 H new ATOM 0 HB ILE A 34 -13.634 -3.039 4.172 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -16.465 -3.449 3.208 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -15.436 -4.861 3.345 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -15.265 -1.179 4.077 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -13.939 -0.931 2.916 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -15.527 -1.500 2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -16.662 -4.463 5.465 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -14.910 -4.267 5.712 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -15.955 -2.833 5.574 1.00 0.00 H new ATOM 550 N ILE A 35 -11.496 -2.380 2.080 1.00 0.00 N ATOM 551 CA ILE A 35 -10.505 -1.412 1.485 1.00 0.00 C ATOM 552 C ILE A 35 -10.059 -1.928 0.102 1.00 0.00 C ATOM 553 O ILE A 35 -9.896 -1.157 -0.825 1.00 0.00 O ATOM 554 CB ILE A 35 -9.288 -1.285 2.456 1.00 0.00 C ATOM 555 CG1 ILE A 35 -8.202 -0.451 1.756 1.00 0.00 C ATOM 556 CG2 ILE A 35 -8.720 -2.669 2.809 1.00 0.00 C ATOM 557 CD1 ILE A 35 -6.813 -0.918 2.190 1.00 0.00 C ATOM 0 H ILE A 35 -11.180 -2.891 2.904 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.956 -0.429 1.354 1.00 0.00 H new ATOM 0 HB ILE A 35 -9.612 -0.806 3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -8.303 -0.544 0.675 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.331 0.604 1.999 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -7.874 -2.553 3.486 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -9.493 -3.267 3.293 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -8.390 -3.170 1.899 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -6.054 -0.319 1.687 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -6.711 -0.802 3.269 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -6.682 -1.967 1.924 1.00 0.00 H new ATOM 569 N PHE A 36 -9.882 -3.224 -0.064 1.00 0.00 N ATOM 570 CA PHE A 36 -9.476 -3.723 -1.404 1.00 0.00 C ATOM 571 C PHE A 36 -10.585 -3.382 -2.420 1.00 0.00 C ATOM 572 O PHE A 36 -10.301 -2.907 -3.502 1.00 0.00 O ATOM 573 CB PHE A 36 -9.287 -5.233 -1.253 1.00 0.00 C ATOM 574 CG PHE A 36 -7.922 -5.532 -0.669 1.00 0.00 C ATOM 575 CD1 PHE A 36 -6.796 -4.803 -1.085 1.00 0.00 C ATOM 576 CD2 PHE A 36 -7.776 -6.551 0.280 1.00 0.00 C ATOM 577 CE1 PHE A 36 -5.536 -5.095 -0.553 1.00 0.00 C ATOM 578 CE2 PHE A 36 -6.515 -6.840 0.814 1.00 0.00 C ATOM 579 CZ PHE A 36 -5.394 -6.112 0.396 1.00 0.00 C ATOM 0 H PHE A 36 -10.000 -3.935 0.658 1.00 0.00 H new ATOM 0 HA PHE A 36 -8.555 -3.266 -1.766 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -10.064 -5.642 -0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -9.390 -5.719 -2.223 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -6.903 -4.016 -1.817 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.639 -7.116 0.601 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -4.671 -4.534 -0.876 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -6.406 -7.624 1.548 1.00 0.00 H new ATOM 0 HZ PHE A 36 -4.420 -6.336 0.806 1.00 0.00 H new ATOM 589 N ALA A 37 -11.856 -3.576 -2.083 1.00 0.00 N ATOM 590 CA ALA A 37 -12.926 -3.201 -3.058 1.00 0.00 C ATOM 591 C ALA A 37 -12.769 -1.719 -3.405 1.00 0.00 C ATOM 592 O ALA A 37 -12.652 -1.378 -4.552 1.00 0.00 O ATOM 593 CB ALA A 37 -14.262 -3.469 -2.351 1.00 0.00 C ATOM 0 H ALA A 37 -12.180 -3.967 -1.198 1.00 0.00 H new ATOM 0 HA ALA A 37 -12.871 -3.770 -3.986 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.085 -3.212 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -14.327 -4.524 -2.084 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -14.324 -2.862 -1.448 1.00 0.00 H new ATOM 599 N ILE A 38 -12.746 -0.823 -2.434 1.00 0.00 N ATOM 600 CA ILE A 38 -12.570 0.607 -2.823 1.00 0.00 C ATOM 601 C ILE A 38 -11.303 0.749 -3.680 1.00 0.00 C ATOM 602 O ILE A 38 -11.249 1.566 -4.565 1.00 0.00 O ATOM 603 CB ILE A 38 -12.474 1.468 -1.551 1.00 0.00 C ATOM 604 CG1 ILE A 38 -12.832 0.684 -0.282 1.00 0.00 C ATOM 605 CG2 ILE A 38 -13.451 2.618 -1.712 1.00 0.00 C ATOM 606 CD1 ILE A 38 -12.867 1.636 0.914 1.00 0.00 C ATOM 0 H ILE A 38 -12.837 -1.014 -1.436 1.00 0.00 H new ATOM 0 HA ILE A 38 -13.423 0.947 -3.410 1.00 0.00 H new ATOM 0 HB ILE A 38 -11.446 1.810 -1.436 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -13.801 0.199 -0.403 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -12.100 -0.105 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -13.413 3.254 -0.828 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -13.183 3.203 -2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -14.460 2.224 -1.832 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -13.121 1.079 1.815 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -11.889 2.100 1.038 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -13.616 2.409 0.742 1.00 0.00 H new ATOM 618 N LEU A 39 -10.287 -0.047 -3.452 1.00 0.00 N ATOM 619 CA LEU A 39 -9.067 0.074 -4.324 1.00 0.00 C ATOM 620 C LEU A 39 -9.410 -0.399 -5.751 1.00 0.00 C ATOM 621 O LEU A 39 -9.011 0.211 -6.726 1.00 0.00 O ATOM 622 CB LEU A 39 -7.983 -0.816 -3.695 1.00 0.00 C ATOM 623 CG LEU A 39 -7.278 -0.040 -2.579 1.00 0.00 C ATOM 624 CD1 LEU A 39 -6.655 -1.021 -1.584 1.00 0.00 C ATOM 625 CD2 LEU A 39 -6.177 0.833 -3.188 1.00 0.00 C ATOM 0 H LEU A 39 -10.243 -0.758 -2.722 1.00 0.00 H new ATOM 0 HA LEU A 39 -8.717 1.104 -4.392 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -8.430 -1.726 -3.295 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -7.262 -1.122 -4.453 1.00 0.00 H new ATOM 0 HG LEU A 39 -8.002 0.589 -2.061 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -6.154 -0.466 -0.791 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -7.436 -1.646 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -5.930 -1.651 -2.100 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -5.673 1.387 -2.396 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -5.455 0.200 -3.705 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -6.618 1.534 -3.897 1.00 0.00 H new ATOM 637 N LYS A 40 -10.167 -1.458 -5.882 1.00 0.00 N ATOM 638 CA LYS A 40 -10.565 -1.962 -7.234 1.00 0.00 C ATOM 639 C LYS A 40 -11.481 -0.954 -7.940 1.00 0.00 C ATOM 640 O LYS A 40 -11.395 -0.755 -9.135 1.00 0.00 O ATOM 641 CB LYS A 40 -11.344 -3.240 -6.935 1.00 0.00 C ATOM 642 CG LYS A 40 -10.478 -4.454 -7.274 1.00 0.00 C ATOM 643 CD LYS A 40 -11.178 -5.733 -6.808 1.00 0.00 C ATOM 644 CE LYS A 40 -12.532 -5.866 -7.510 1.00 0.00 C ATOM 645 NZ LYS A 40 -12.351 -6.974 -8.488 1.00 0.00 N ATOM 0 H LYS A 40 -10.532 -2.003 -5.100 1.00 0.00 H new ATOM 0 HA LYS A 40 -9.706 -2.122 -7.886 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.631 -3.266 -5.884 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.265 -3.262 -7.518 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -10.299 -4.497 -8.348 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -9.504 -4.364 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.556 -6.600 -7.029 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -11.319 -5.709 -5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -13.325 -6.094 -6.798 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -12.810 -4.939 -8.011 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -13.238 -7.125 -9.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -11.594 -6.726 -9.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -12.094 -7.845 -7.982 1.00 0.00 H new ATOM 659 N GLN A 41 -12.371 -0.330 -7.210 1.00 0.00 N ATOM 660 CA GLN A 41 -13.306 0.650 -7.843 1.00 0.00 C ATOM 661 C GLN A 41 -12.596 1.971 -8.150 1.00 0.00 C ATOM 662 O GLN A 41 -12.628 2.458 -9.263 1.00 0.00 O ATOM 663 CB GLN A 41 -14.406 0.857 -6.803 1.00 0.00 C ATOM 664 CG GLN A 41 -15.290 -0.390 -6.745 1.00 0.00 C ATOM 665 CD GLN A 41 -16.576 -0.138 -7.533 1.00 0.00 C ATOM 666 OE1 GLN A 41 -17.659 -0.192 -6.984 1.00 0.00 O ATOM 667 NE2 GLN A 41 -16.502 0.139 -8.807 1.00 0.00 N ATOM 0 H GLN A 41 -12.491 -0.456 -6.205 1.00 0.00 H new ATOM 0 HA GLN A 41 -13.695 0.289 -8.795 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -13.966 1.050 -5.825 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -15.006 1.730 -7.060 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -14.758 -1.246 -7.160 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -15.527 -0.633 -5.709 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -15.593 0.184 -9.267 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -17.353 0.310 -9.342 1.00 0.00 H new ATOM 676 N HIS A 42 -11.952 2.558 -7.179 1.00 0.00 N ATOM 677 CA HIS A 42 -11.241 3.861 -7.455 1.00 0.00 C ATOM 678 C HIS A 42 -10.105 3.619 -8.472 1.00 0.00 C ATOM 679 O HIS A 42 -9.842 4.437 -9.329 1.00 0.00 O ATOM 680 CB HIS A 42 -10.698 4.370 -6.096 1.00 0.00 C ATOM 681 CG HIS A 42 -10.774 5.868 -6.077 1.00 0.00 C ATOM 682 ND1 HIS A 42 -9.678 6.662 -6.360 1.00 0.00 N ATOM 683 CD2 HIS A 42 -11.812 6.733 -5.834 1.00 0.00 C ATOM 684 CE1 HIS A 42 -10.078 7.941 -6.291 1.00 0.00 C ATOM 685 NE2 HIS A 42 -11.371 8.044 -5.971 1.00 0.00 N ATOM 0 H HIS A 42 -11.881 2.210 -6.223 1.00 0.00 H new ATOM 0 HA HIS A 42 -11.906 4.608 -7.888 1.00 0.00 H new ATOM 0 HB2 HIS A 42 -11.281 3.952 -5.276 1.00 0.00 H new ATOM 0 HB3 HIS A 42 -9.668 4.042 -5.954 1.00 0.00 H new ATOM 0 HD2 HIS A 42 -12.819 6.439 -5.576 1.00 0.00 H new ATOM 0 HE1 HIS A 42 -9.431 8.787 -6.473 1.00 0.00 H new ATOM 0 HE2 HIS A 42 -11.916 8.898 -5.853 1.00 0.00 H new ATOM 693 N ALA A 43 -9.445 2.492 -8.394 1.00 0.00 N ATOM 694 CA ALA A 43 -8.347 2.180 -9.352 1.00 0.00 C ATOM 695 C ALA A 43 -8.919 1.744 -10.705 1.00 0.00 C ATOM 696 O ALA A 43 -8.332 2.007 -11.730 1.00 0.00 O ATOM 697 CB ALA A 43 -7.555 1.039 -8.715 1.00 0.00 C ATOM 0 H ALA A 43 -9.624 1.768 -7.698 1.00 0.00 H new ATOM 0 HA ALA A 43 -7.720 3.051 -9.539 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -6.730 0.759 -9.370 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.161 1.363 -7.752 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -8.209 0.180 -8.568 1.00 0.00 H new ATOM 703 N LYS A 44 -10.057 1.094 -10.740 1.00 0.00 N ATOM 704 CA LYS A 44 -10.626 0.701 -12.050 1.00 0.00 C ATOM 705 C LYS A 44 -10.579 1.890 -12.983 1.00 0.00 C ATOM 706 O LYS A 44 -10.216 1.790 -14.137 1.00 0.00 O ATOM 707 CB LYS A 44 -12.065 0.376 -11.735 1.00 0.00 C ATOM 708 CG LYS A 44 -12.413 -1.026 -12.241 1.00 0.00 C ATOM 709 CD LYS A 44 -11.521 -2.060 -11.550 1.00 0.00 C ATOM 710 CE LYS A 44 -10.944 -3.015 -12.597 1.00 0.00 C ATOM 711 NZ LYS A 44 -10.330 -4.122 -11.813 1.00 0.00 N ATOM 0 H LYS A 44 -10.605 0.825 -9.923 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.094 -0.125 -12.521 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.232 0.434 -10.659 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.722 1.112 -12.199 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -13.462 -1.245 -12.041 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -12.276 -1.078 -13.321 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -10.714 -1.560 -11.014 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -12.097 -2.618 -10.811 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -11.722 -3.388 -13.263 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -10.203 -2.515 -13.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -9.913 -4.818 -12.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -9.588 -3.739 -11.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.060 -4.584 -11.234 1.00 0.00 H new ATOM 725 N SER A 45 -10.949 3.025 -12.473 1.00 0.00 N ATOM 726 CA SER A 45 -10.930 4.249 -13.316 1.00 0.00 C ATOM 727 C SER A 45 -9.488 4.603 -13.670 1.00 0.00 C ATOM 728 O SER A 45 -9.224 5.431 -14.518 1.00 0.00 O ATOM 729 CB SER A 45 -11.533 5.342 -12.450 1.00 0.00 C ATOM 730 OG SER A 45 -12.822 4.943 -11.993 1.00 0.00 O ATOM 0 H SER A 45 -11.263 3.160 -11.512 1.00 0.00 H new ATOM 0 HA SER A 45 -11.481 4.117 -14.248 1.00 0.00 H new ATOM 0 HB2 SER A 45 -10.882 5.544 -11.599 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.610 6.268 -13.019 1.00 0.00 H new ATOM 0 HG SER A 45 -13.205 5.651 -11.434 1.00 0.00 H new ATOM 736 N GLY A 46 -8.560 3.954 -13.036 1.00 0.00 N ATOM 737 CA GLY A 46 -7.118 4.212 -13.334 1.00 0.00 C ATOM 738 C GLY A 46 -6.715 5.636 -12.929 1.00 0.00 C ATOM 739 O GLY A 46 -5.849 6.227 -13.542 1.00 0.00 O ATOM 0 H GLY A 46 -8.733 3.250 -12.318 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -6.499 3.490 -12.801 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -6.932 4.067 -14.398 1.00 0.00 H new ATOM 743 N GLU A 47 -7.309 6.203 -11.906 1.00 0.00 N ATOM 744 CA GLU A 47 -6.907 7.575 -11.510 1.00 0.00 C ATOM 745 C GLU A 47 -5.686 7.496 -10.580 1.00 0.00 C ATOM 746 O GLU A 47 -5.281 6.427 -10.169 1.00 0.00 O ATOM 747 CB GLU A 47 -8.143 8.145 -10.813 1.00 0.00 C ATOM 748 CG GLU A 47 -8.497 7.313 -9.582 1.00 0.00 C ATOM 749 CD GLU A 47 -10.020 7.149 -9.519 1.00 0.00 C ATOM 750 OE1 GLU A 47 -10.686 7.660 -10.403 1.00 0.00 O ATOM 751 OE2 GLU A 47 -10.495 6.518 -8.592 1.00 0.00 O ATOM 0 H GLU A 47 -8.043 5.777 -11.340 1.00 0.00 H new ATOM 0 HA GLU A 47 -6.608 8.209 -12.344 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -7.958 9.178 -10.519 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -8.985 8.157 -11.505 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -8.014 6.337 -9.634 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.132 7.801 -8.678 1.00 0.00 H new ATOM 758 N ASP A 48 -5.071 8.608 -10.287 1.00 0.00 N ATOM 759 CA ASP A 48 -3.848 8.596 -9.432 1.00 0.00 C ATOM 760 C ASP A 48 -4.136 8.038 -8.021 1.00 0.00 C ATOM 761 O ASP A 48 -5.131 8.367 -7.405 1.00 0.00 O ATOM 762 CB ASP A 48 -3.425 10.073 -9.335 1.00 0.00 C ATOM 763 CG ASP A 48 -2.553 10.435 -10.539 1.00 0.00 C ATOM 764 OD1 ASP A 48 -1.563 9.756 -10.753 1.00 0.00 O ATOM 765 OD2 ASP A 48 -2.891 11.384 -11.226 1.00 0.00 O ATOM 0 H ASP A 48 -5.364 9.532 -10.605 1.00 0.00 H new ATOM 0 HA ASP A 48 -3.076 7.956 -9.858 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.307 10.713 -9.305 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.875 10.245 -8.410 1.00 0.00 H new ATOM 770 N ILE A 49 -3.252 7.218 -7.496 1.00 0.00 N ATOM 771 CA ILE A 49 -3.433 6.656 -6.119 1.00 0.00 C ATOM 772 C ILE A 49 -2.052 6.255 -5.611 1.00 0.00 C ATOM 773 O ILE A 49 -1.227 5.830 -6.395 1.00 0.00 O ATOM 774 CB ILE A 49 -4.321 5.413 -6.286 1.00 0.00 C ATOM 775 CG1 ILE A 49 -3.492 4.297 -6.964 1.00 0.00 C ATOM 776 CG2 ILE A 49 -5.552 5.760 -7.133 1.00 0.00 C ATOM 777 CD1 ILE A 49 -4.357 3.452 -7.912 1.00 0.00 C ATOM 0 H ILE A 49 -2.403 6.912 -7.971 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.885 7.358 -5.419 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.665 5.066 -5.312 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.667 4.742 -7.521 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.052 3.655 -6.201 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -6.177 4.874 -7.247 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -6.124 6.546 -6.639 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.232 6.107 -8.115 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -3.743 2.677 -8.371 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -5.166 2.987 -7.349 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.776 4.091 -8.689 1.00 0.00 H new ATOM 789 N PHE A 50 -1.732 6.397 -4.347 1.00 0.00 N ATOM 790 CA PHE A 50 -0.349 6.011 -3.990 1.00 0.00 C ATOM 791 C PHE A 50 -0.188 5.309 -2.636 1.00 0.00 C ATOM 792 O PHE A 50 -1.086 5.257 -1.823 1.00 0.00 O ATOM 793 CB PHE A 50 0.433 7.336 -4.078 1.00 0.00 C ATOM 794 CG PHE A 50 -0.287 8.409 -3.335 1.00 0.00 C ATOM 795 CD1 PHE A 50 -0.097 8.543 -1.963 1.00 0.00 C ATOM 796 CD2 PHE A 50 -1.141 9.267 -4.023 1.00 0.00 C ATOM 797 CE1 PHE A 50 -0.773 9.548 -1.263 1.00 0.00 C ATOM 798 CE2 PHE A 50 -1.821 10.274 -3.331 1.00 0.00 C ATOM 799 CZ PHE A 50 -1.638 10.414 -1.947 1.00 0.00 C ATOM 0 H PHE A 50 -2.330 6.741 -3.596 1.00 0.00 H new ATOM 0 HA PHE A 50 0.024 5.243 -4.667 1.00 0.00 H new ATOM 0 HB2 PHE A 50 1.433 7.205 -3.664 1.00 0.00 H new ATOM 0 HB3 PHE A 50 0.556 7.626 -5.122 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.570 7.873 -1.440 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -1.278 9.155 -5.088 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -0.629 9.657 -0.198 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.485 10.942 -3.860 1.00 0.00 H new ATOM 0 HZ PHE A 50 -2.163 11.189 -1.408 1.00 0.00 H new ATOM 809 N GLY A 51 0.988 4.746 -2.413 1.00 0.00 N ATOM 810 CA GLY A 51 1.247 4.026 -1.124 1.00 0.00 C ATOM 811 C GLY A 51 2.363 4.783 -0.378 1.00 0.00 C ATOM 812 O GLY A 51 3.045 5.604 -0.964 1.00 0.00 O ATOM 0 H GLY A 51 1.770 4.757 -3.067 1.00 0.00 H new ATOM 0 HA2 GLY A 51 0.341 3.988 -0.519 1.00 0.00 H new ATOM 0 HA3 GLY A 51 1.546 2.996 -1.315 1.00 0.00 H new ATOM 816 N ASP A 52 2.563 4.544 0.908 1.00 0.00 N ATOM 817 CA ASP A 52 3.626 5.294 1.616 1.00 0.00 C ATOM 818 C ASP A 52 3.804 4.729 3.019 1.00 0.00 C ATOM 819 O ASP A 52 2.944 4.035 3.527 1.00 0.00 O ATOM 820 CB ASP A 52 3.093 6.743 1.696 1.00 0.00 C ATOM 821 CG ASP A 52 1.745 6.742 2.413 1.00 0.00 C ATOM 822 OD1 ASP A 52 0.750 6.484 1.759 1.00 0.00 O ATOM 823 OD2 ASP A 52 1.730 6.998 3.607 1.00 0.00 O ATOM 0 H ASP A 52 2.041 3.875 1.473 1.00 0.00 H new ATOM 0 HA ASP A 52 4.590 5.233 1.111 1.00 0.00 H new ATOM 0 HB2 ASP A 52 3.802 7.375 2.230 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.986 7.160 0.695 1.00 0.00 H new ATOM 828 N GLY A 53 4.897 5.026 3.665 1.00 0.00 N ATOM 829 CA GLY A 53 5.063 4.484 5.058 1.00 0.00 C ATOM 830 C GLY A 53 6.530 4.172 5.357 1.00 0.00 C ATOM 831 O GLY A 53 7.430 4.904 4.991 1.00 0.00 O ATOM 0 H GLY A 53 5.663 5.600 3.311 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.688 5.209 5.780 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.465 3.580 5.173 1.00 0.00 H new ATOM 835 N VAL A 54 6.763 3.072 6.030 1.00 0.00 N ATOM 836 CA VAL A 54 8.143 2.675 6.376 1.00 0.00 C ATOM 837 C VAL A 54 8.350 1.230 5.916 1.00 0.00 C ATOM 838 O VAL A 54 7.615 0.341 6.297 1.00 0.00 O ATOM 839 CB VAL A 54 8.228 2.804 7.897 1.00 0.00 C ATOM 840 CG1 VAL A 54 9.692 2.911 8.310 1.00 0.00 C ATOM 841 CG2 VAL A 54 7.498 4.072 8.337 1.00 0.00 C ATOM 0 H VAL A 54 6.039 2.431 6.354 1.00 0.00 H new ATOM 0 HA VAL A 54 8.911 3.285 5.901 1.00 0.00 H new ATOM 0 HB VAL A 54 7.771 1.931 8.364 1.00 0.00 H new ATOM 0 HG11 VAL A 54 9.758 3.003 9.394 1.00 0.00 H new ATOM 0 HG12 VAL A 54 10.227 2.017 7.988 1.00 0.00 H new ATOM 0 HG13 VAL A 54 10.139 3.789 7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 54 7.556 4.168 9.421 1.00 0.00 H new ATOM 0 HG22 VAL A 54 7.963 4.940 7.871 1.00 0.00 H new ATOM 0 HG23 VAL A 54 6.453 4.014 8.034 1.00 0.00 H new ATOM 851 N LEU A 55 9.292 0.994 5.033 1.00 0.00 N ATOM 852 CA LEU A 55 9.447 -0.402 4.495 1.00 0.00 C ATOM 853 C LEU A 55 9.822 -1.450 5.571 1.00 0.00 C ATOM 854 O LEU A 55 10.273 -1.130 6.654 1.00 0.00 O ATOM 855 CB LEU A 55 10.562 -0.356 3.449 1.00 0.00 C ATOM 856 CG LEU A 55 9.945 -0.273 2.052 1.00 0.00 C ATOM 857 CD1 LEU A 55 11.068 -0.291 1.028 1.00 0.00 C ATOM 858 CD2 LEU A 55 9.022 -1.476 1.805 1.00 0.00 C ATOM 0 H LEU A 55 9.946 1.686 4.667 1.00 0.00 H new ATOM 0 HA LEU A 55 8.486 -0.713 4.087 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.206 0.505 3.626 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.188 -1.244 3.530 1.00 0.00 H new ATOM 0 HG LEU A 55 9.361 0.643 1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 55 10.646 -0.232 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 55 11.727 0.561 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 55 11.638 -1.215 1.129 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.590 -1.404 0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 55 9.597 -2.398 1.886 1.00 0.00 H new ATOM 0 HD23 LEU A 55 8.223 -1.480 2.547 1.00 0.00 H new ATOM 870 N GLU A 56 9.655 -2.710 5.227 1.00 0.00 N ATOM 871 CA GLU A 56 9.996 -3.859 6.121 1.00 0.00 C ATOM 872 C GLU A 56 10.598 -4.972 5.216 1.00 0.00 C ATOM 873 O GLU A 56 9.920 -5.428 4.304 1.00 0.00 O ATOM 874 CB GLU A 56 8.653 -4.316 6.691 1.00 0.00 C ATOM 875 CG GLU A 56 8.767 -4.473 8.208 1.00 0.00 C ATOM 876 CD GLU A 56 7.688 -5.436 8.704 1.00 0.00 C ATOM 877 OE1 GLU A 56 6.545 -5.018 8.796 1.00 0.00 O ATOM 878 OE2 GLU A 56 8.021 -6.577 8.980 1.00 0.00 O ATOM 0 H GLU A 56 9.279 -2.994 4.322 1.00 0.00 H new ATOM 0 HA GLU A 56 10.703 -3.617 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 56 7.877 -3.590 6.448 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.357 -5.262 6.238 1.00 0.00 H new ATOM 0 HG2 GLU A 56 9.755 -4.850 8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 56 8.655 -3.504 8.694 1.00 0.00 H new ATOM 885 N ILE A 57 11.847 -5.415 5.405 1.00 0.00 N ATOM 886 CA ILE A 57 12.378 -6.468 4.481 1.00 0.00 C ATOM 887 C ILE A 57 11.848 -7.847 4.923 1.00 0.00 C ATOM 888 O ILE A 57 11.400 -8.003 6.042 1.00 0.00 O ATOM 889 CB ILE A 57 13.937 -6.448 4.537 1.00 0.00 C ATOM 890 CG1 ILE A 57 14.455 -4.992 4.628 1.00 0.00 C ATOM 891 CG2 ILE A 57 14.520 -7.126 3.278 1.00 0.00 C ATOM 892 CD1 ILE A 57 14.838 -4.447 3.241 1.00 0.00 C ATOM 0 H ILE A 57 12.486 -5.097 6.134 1.00 0.00 H new ATOM 0 HA ILE A 57 12.051 -6.274 3.460 1.00 0.00 H new ATOM 0 HB ILE A 57 14.258 -6.995 5.424 1.00 0.00 H new ATOM 0 HG12 ILE A 57 13.687 -4.358 5.071 1.00 0.00 H new ATOM 0 HG13 ILE A 57 15.321 -4.953 5.288 1.00 0.00 H new ATOM 0 HG21 ILE A 57 15.609 -7.107 3.326 1.00 0.00 H new ATOM 0 HG22 ILE A 57 14.177 -8.159 3.229 1.00 0.00 H new ATOM 0 HG23 ILE A 57 14.187 -6.591 2.389 1.00 0.00 H new ATOM 0 HD11 ILE A 57 15.198 -3.423 3.339 1.00 0.00 H new ATOM 0 HD12 ILE A 57 15.624 -5.068 2.810 1.00 0.00 H new ATOM 0 HD13 ILE A 57 13.964 -4.464 2.590 1.00 0.00 H new ATOM 904 N LEU A 58 11.897 -8.854 4.079 1.00 0.00 N ATOM 905 CA LEU A 58 11.397 -10.197 4.507 1.00 0.00 C ATOM 906 C LEU A 58 12.423 -11.268 4.142 1.00 0.00 C ATOM 907 O LEU A 58 12.978 -11.264 3.061 1.00 0.00 O ATOM 908 CB LEU A 58 10.084 -10.420 3.749 1.00 0.00 C ATOM 909 CG LEU A 58 8.927 -9.859 4.594 1.00 0.00 C ATOM 910 CD1 LEU A 58 8.728 -8.373 4.289 1.00 0.00 C ATOM 911 CD2 LEU A 58 7.634 -10.615 4.280 1.00 0.00 C ATOM 0 H LEU A 58 12.257 -8.803 3.126 1.00 0.00 H new ATOM 0 HA LEU A 58 11.239 -10.251 5.584 1.00 0.00 H new ATOM 0 HB2 LEU A 58 10.119 -9.924 2.779 1.00 0.00 H new ATOM 0 HB3 LEU A 58 9.933 -11.483 3.559 1.00 0.00 H new ATOM 0 HG LEU A 58 9.174 -9.984 5.648 1.00 0.00 H new ATOM 0 HD11 LEU A 58 7.907 -7.985 4.892 1.00 0.00 H new ATOM 0 HD12 LEU A 58 9.642 -7.827 4.526 1.00 0.00 H new ATOM 0 HD13 LEU A 58 8.493 -8.247 3.232 1.00 0.00 H new ATOM 0 HD21 LEU A 58 6.821 -10.211 4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 58 7.393 -10.501 3.223 1.00 0.00 H new ATOM 0 HD23 LEU A 58 7.766 -11.672 4.510 1.00 0.00 H new ATOM 923 N GLN A 59 12.682 -12.181 5.038 1.00 0.00 N ATOM 924 CA GLN A 59 13.676 -13.254 4.754 1.00 0.00 C ATOM 925 C GLN A 59 13.536 -13.730 3.311 1.00 0.00 C ATOM 926 O GLN A 59 14.500 -14.061 2.651 1.00 0.00 O ATOM 927 CB GLN A 59 13.330 -14.375 5.738 1.00 0.00 C ATOM 928 CG GLN A 59 13.901 -15.704 5.239 1.00 0.00 C ATOM 929 CD GLN A 59 14.074 -16.663 6.420 1.00 0.00 C ATOM 930 OE1 GLN A 59 13.706 -17.818 6.337 1.00 0.00 O ATOM 931 NE2 GLN A 59 14.622 -16.232 7.522 1.00 0.00 N ATOM 0 H GLN A 59 12.246 -12.230 5.959 1.00 0.00 H new ATOM 0 HA GLN A 59 14.705 -12.915 4.872 1.00 0.00 H new ATOM 0 HB2 GLN A 59 13.735 -14.143 6.723 1.00 0.00 H new ATOM 0 HB3 GLN A 59 12.248 -14.453 5.848 1.00 0.00 H new ATOM 0 HG2 GLN A 59 13.234 -16.142 4.496 1.00 0.00 H new ATOM 0 HG3 GLN A 59 14.860 -15.538 4.748 1.00 0.00 H new ATOM 0 HE21 GLN A 59 14.931 -15.263 7.593 1.00 0.00 H new ATOM 0 HE22 GLN A 59 14.741 -16.864 8.313 1.00 0.00 H new ATOM 940 N ASP A 60 12.334 -13.776 2.831 1.00 0.00 N ATOM 941 CA ASP A 60 12.106 -14.249 1.425 1.00 0.00 C ATOM 942 C ASP A 60 12.805 -13.358 0.383 1.00 0.00 C ATOM 943 O ASP A 60 12.835 -13.686 -0.787 1.00 0.00 O ATOM 944 CB ASP A 60 10.587 -14.237 1.231 1.00 0.00 C ATOM 945 CG ASP A 60 9.935 -15.152 2.269 1.00 0.00 C ATOM 946 OD1 ASP A 60 10.446 -16.241 2.476 1.00 0.00 O ATOM 947 OD2 ASP A 60 8.934 -14.749 2.840 1.00 0.00 O ATOM 0 H ASP A 60 11.492 -13.509 3.342 1.00 0.00 H new ATOM 0 HA ASP A 60 12.531 -15.242 1.279 1.00 0.00 H new ATOM 0 HB2 ASP A 60 10.204 -13.222 1.334 1.00 0.00 H new ATOM 0 HB3 ASP A 60 10.335 -14.572 0.225 1.00 0.00 H new ATOM 952 N GLY A 61 13.397 -12.264 0.777 1.00 0.00 N ATOM 953 CA GLY A 61 14.122 -11.414 -0.254 1.00 0.00 C ATOM 954 C GLY A 61 13.196 -10.353 -0.891 1.00 0.00 C ATOM 955 O GLY A 61 13.565 -9.712 -1.854 1.00 0.00 O ATOM 0 H GLY A 61 13.420 -11.916 1.735 1.00 0.00 H new ATOM 0 HA2 GLY A 61 14.970 -10.918 0.218 1.00 0.00 H new ATOM 0 HA3 GLY A 61 14.525 -12.058 -1.035 1.00 0.00 H new ATOM 959 N PHE A 62 12.027 -10.127 -0.352 1.00 0.00 N ATOM 960 CA PHE A 62 11.125 -9.086 -0.900 1.00 0.00 C ATOM 961 C PHE A 62 10.661 -8.309 0.343 1.00 0.00 C ATOM 962 O PHE A 62 11.150 -8.583 1.429 1.00 0.00 O ATOM 963 CB PHE A 62 10.006 -9.857 -1.639 1.00 0.00 C ATOM 964 CG PHE A 62 8.928 -10.291 -0.679 1.00 0.00 C ATOM 965 CD1 PHE A 62 9.209 -11.219 0.330 1.00 0.00 C ATOM 966 CD2 PHE A 62 7.638 -9.775 -0.817 1.00 0.00 C ATOM 967 CE1 PHE A 62 8.193 -11.628 1.202 1.00 0.00 C ATOM 968 CE2 PHE A 62 6.624 -10.180 0.053 1.00 0.00 C ATOM 969 CZ PHE A 62 6.900 -11.108 1.064 1.00 0.00 C ATOM 0 H PHE A 62 11.659 -10.629 0.456 1.00 0.00 H new ATOM 0 HA PHE A 62 11.549 -8.379 -1.613 1.00 0.00 H new ATOM 0 HB2 PHE A 62 9.575 -9.225 -2.415 1.00 0.00 H new ATOM 0 HB3 PHE A 62 10.428 -10.730 -2.137 1.00 0.00 H new ATOM 0 HD1 PHE A 62 10.207 -11.619 0.436 1.00 0.00 H new ATOM 0 HD2 PHE A 62 7.424 -9.061 -1.599 1.00 0.00 H new ATOM 0 HE1 PHE A 62 8.406 -12.345 1.981 1.00 0.00 H new ATOM 0 HE2 PHE A 62 5.627 -9.778 -0.054 1.00 0.00 H new ATOM 0 HZ PHE A 62 6.116 -11.423 1.737 1.00 0.00 H new ATOM 979 N GLY A 63 9.796 -7.334 0.271 1.00 0.00 N ATOM 980 CA GLY A 63 9.475 -6.632 1.527 1.00 0.00 C ATOM 981 C GLY A 63 8.130 -5.906 1.442 1.00 0.00 C ATOM 982 O GLY A 63 7.558 -5.802 0.362 1.00 0.00 O ATOM 0 H GLY A 63 9.319 -7.009 -0.570 1.00 0.00 H new ATOM 0 HA2 GLY A 63 9.451 -7.348 2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.263 -5.914 1.754 1.00 0.00 H new ATOM 986 N PHE A 64 7.607 -5.346 2.529 1.00 0.00 N ATOM 987 CA PHE A 64 6.330 -4.607 2.376 1.00 0.00 C ATOM 988 C PHE A 64 6.457 -3.211 3.018 1.00 0.00 C ATOM 989 O PHE A 64 7.242 -3.007 3.945 1.00 0.00 O ATOM 990 CB PHE A 64 5.224 -5.377 3.143 1.00 0.00 C ATOM 991 CG PHE A 64 4.681 -6.563 2.367 1.00 0.00 C ATOM 992 CD1 PHE A 64 3.630 -6.382 1.457 1.00 0.00 C ATOM 993 CD2 PHE A 64 5.199 -7.845 2.585 1.00 0.00 C ATOM 994 CE1 PHE A 64 3.106 -7.479 0.761 1.00 0.00 C ATOM 995 CE2 PHE A 64 4.670 -8.944 1.891 1.00 0.00 C ATOM 996 CZ PHE A 64 3.623 -8.761 0.977 1.00 0.00 C ATOM 0 H PHE A 64 8.003 -5.375 3.469 1.00 0.00 H new ATOM 0 HA PHE A 64 6.090 -4.514 1.317 1.00 0.00 H new ATOM 0 HB2 PHE A 64 5.625 -5.725 4.095 1.00 0.00 H new ATOM 0 HB3 PHE A 64 4.406 -4.694 3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 64 3.224 -5.395 1.292 1.00 0.00 H new ATOM 0 HD2 PHE A 64 6.006 -7.988 3.288 1.00 0.00 H new ATOM 0 HE1 PHE A 64 2.301 -7.335 0.056 1.00 0.00 H new ATOM 0 HE2 PHE A 64 5.070 -9.933 2.061 1.00 0.00 H new ATOM 0 HZ PHE A 64 3.217 -9.606 0.442 1.00 0.00 H new ATOM 1006 N LEU A 65 5.679 -2.267 2.557 1.00 0.00 N ATOM 1007 CA LEU A 65 5.656 -0.904 3.132 1.00 0.00 C ATOM 1008 C LEU A 65 4.447 -0.840 4.097 1.00 0.00 C ATOM 1009 O LEU A 65 3.365 -1.285 3.734 1.00 0.00 O ATOM 1010 CB LEU A 65 5.401 -0.004 1.926 1.00 0.00 C ATOM 1011 CG LEU A 65 6.195 1.293 2.064 1.00 0.00 C ATOM 1012 CD1 LEU A 65 6.989 1.543 0.781 1.00 0.00 C ATOM 1013 CD2 LEU A 65 5.229 2.456 2.293 1.00 0.00 C ATOM 0 H LEU A 65 5.037 -2.398 1.775 1.00 0.00 H new ATOM 0 HA LEU A 65 6.561 -0.622 3.671 1.00 0.00 H new ATOM 0 HB2 LEU A 65 5.688 -0.520 1.010 1.00 0.00 H new ATOM 0 HB3 LEU A 65 4.337 0.218 1.846 1.00 0.00 H new ATOM 0 HG LEU A 65 6.880 1.212 2.908 1.00 0.00 H new ATOM 0 HD11 LEU A 65 7.556 2.469 0.879 1.00 0.00 H new ATOM 0 HD12 LEU A 65 7.675 0.713 0.610 1.00 0.00 H new ATOM 0 HD13 LEU A 65 6.302 1.625 -0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 65 5.793 3.383 2.392 1.00 0.00 H new ATOM 0 HD22 LEU A 65 4.547 2.535 1.446 1.00 0.00 H new ATOM 0 HD23 LEU A 65 4.657 2.280 3.204 1.00 0.00 H new ATOM 1025 N ARG A 66 4.577 -0.307 5.296 1.00 0.00 N ATOM 1026 CA ARG A 66 3.395 -0.248 6.197 1.00 0.00 C ATOM 1027 C ARG A 66 3.324 1.137 6.869 1.00 0.00 C ATOM 1028 O ARG A 66 4.086 2.029 6.544 1.00 0.00 O ATOM 1029 CB ARG A 66 3.630 -1.343 7.239 1.00 0.00 C ATOM 1030 CG ARG A 66 4.732 -0.902 8.205 1.00 0.00 C ATOM 1031 CD ARG A 66 4.946 -1.986 9.266 1.00 0.00 C ATOM 1032 NE ARG A 66 4.885 -1.268 10.572 1.00 0.00 N ATOM 1033 CZ ARG A 66 5.844 -0.451 10.920 1.00 0.00 C ATOM 1034 NH1 ARG A 66 7.048 -0.605 10.436 1.00 0.00 N ATOM 1035 NH2 ARG A 66 5.600 0.518 11.760 1.00 0.00 N ATOM 0 H ARG A 66 5.440 0.081 5.676 1.00 0.00 H new ATOM 0 HA ARG A 66 2.456 -0.397 5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 66 2.709 -1.541 7.787 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.914 -2.273 6.747 1.00 0.00 H new ATOM 0 HG2 ARG A 66 5.659 -0.724 7.659 1.00 0.00 H new ATOM 0 HG3 ARG A 66 4.457 0.039 8.682 1.00 0.00 H new ATOM 0 HD2 ARG A 66 4.177 -2.756 9.203 1.00 0.00 H new ATOM 0 HD3 ARG A 66 5.907 -2.483 9.134 1.00 0.00 H new ATOM 0 HE ARG A 66 4.092 -1.415 11.196 1.00 0.00 H new ATOM 0 HH11 ARG A 66 7.242 -1.365 9.784 1.00 0.00 H new ATOM 0 HH12 ARG A 66 7.794 0.035 10.710 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.662 0.636 12.144 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.347 1.157 12.033 1.00 0.00 H new ATOM 1049 N SER A 67 2.419 1.325 7.809 1.00 0.00 N ATOM 1050 CA SER A 67 2.318 2.655 8.488 1.00 0.00 C ATOM 1051 C SER A 67 3.442 2.823 9.510 1.00 0.00 C ATOM 1052 O SER A 67 4.441 2.133 9.471 1.00 0.00 O ATOM 1053 CB SER A 67 0.962 2.640 9.191 1.00 0.00 C ATOM 1054 OG SER A 67 -0.029 2.164 8.290 1.00 0.00 O ATOM 0 H SER A 67 1.755 0.620 8.129 1.00 0.00 H new ATOM 0 HA SER A 67 2.407 3.480 7.781 1.00 0.00 H new ATOM 0 HB2 SER A 67 1.004 2.002 10.074 1.00 0.00 H new ATOM 0 HB3 SER A 67 0.706 3.642 9.534 1.00 0.00 H new ATOM 0 HG SER A 67 -0.900 2.152 8.739 1.00 0.00 H new ATOM 1187 N ASP A 78 -1.084 -4.105 3.662 1.00 0.00 N ATOM 1188 CA ASP A 78 0.146 -3.240 3.554 1.00 0.00 C ATOM 1189 C ASP A 78 0.477 -2.996 2.074 1.00 0.00 C ATOM 1190 O ASP A 78 -0.385 -3.055 1.221 1.00 0.00 O ATOM 1191 CB ASP A 78 1.290 -4.024 4.232 1.00 0.00 C ATOM 1192 CG ASP A 78 0.923 -4.297 5.691 1.00 0.00 C ATOM 1193 OD1 ASP A 78 -0.257 -4.257 6.002 1.00 0.00 O ATOM 1194 OD2 ASP A 78 1.827 -4.536 6.472 1.00 0.00 O ATOM 0 HA ASP A 78 -0.002 -2.270 4.030 1.00 0.00 H new ATOM 0 HB2 ASP A 78 1.463 -4.963 3.707 1.00 0.00 H new ATOM 0 HB3 ASP A 78 2.218 -3.454 4.179 1.00 0.00 H new ATOM 1199 N ILE A 79 1.720 -2.726 1.759 1.00 0.00 N ATOM 1200 CA ILE A 79 2.081 -2.483 0.309 1.00 0.00 C ATOM 1201 C ILE A 79 3.140 -3.524 -0.157 1.00 0.00 C ATOM 1202 O ILE A 79 4.129 -3.702 0.531 1.00 0.00 O ATOM 1203 CB ILE A 79 2.708 -1.069 0.263 1.00 0.00 C ATOM 1204 CG1 ILE A 79 1.967 -0.128 1.228 1.00 0.00 C ATOM 1205 CG2 ILE A 79 2.641 -0.503 -1.161 1.00 0.00 C ATOM 1206 CD1 ILE A 79 0.579 0.216 0.682 1.00 0.00 C ATOM 0 H ILE A 79 2.493 -2.662 2.421 1.00 0.00 H new ATOM 0 HA ILE A 79 1.208 -2.570 -0.338 1.00 0.00 H new ATOM 0 HB ILE A 79 3.752 -1.144 0.567 1.00 0.00 H new ATOM 0 HG12 ILE A 79 1.873 -0.601 2.206 1.00 0.00 H new ATOM 0 HG13 ILE A 79 2.545 0.785 1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 79 3.086 0.492 -1.178 1.00 0.00 H new ATOM 0 HG22 ILE A 79 3.189 -1.157 -1.839 1.00 0.00 H new ATOM 0 HG23 ILE A 79 1.600 -0.441 -1.479 1.00 0.00 H new ATOM 0 HD11 ILE A 79 0.069 0.883 1.378 1.00 0.00 H new ATOM 0 HD12 ILE A 79 0.680 0.709 -0.285 1.00 0.00 H new ATOM 0 HD13 ILE A 79 -0.002 -0.698 0.564 1.00 0.00 H new ATOM 1218 N TYR A 80 3.003 -4.206 -1.294 1.00 0.00 N ATOM 1219 CA TYR A 80 4.104 -5.184 -1.661 1.00 0.00 C ATOM 1220 C TYR A 80 5.333 -4.400 -2.209 1.00 0.00 C ATOM 1221 O TYR A 80 5.172 -3.367 -2.826 1.00 0.00 O ATOM 1222 CB TYR A 80 3.545 -6.148 -2.741 1.00 0.00 C ATOM 1223 CG TYR A 80 4.622 -7.093 -3.240 1.00 0.00 C ATOM 1224 CD1 TYR A 80 5.624 -6.626 -4.102 1.00 0.00 C ATOM 1225 CD2 TYR A 80 4.607 -8.445 -2.860 1.00 0.00 C ATOM 1226 CE1 TYR A 80 6.606 -7.502 -4.576 1.00 0.00 C ATOM 1227 CE2 TYR A 80 5.591 -9.319 -3.336 1.00 0.00 C ATOM 1228 CZ TYR A 80 6.592 -8.847 -4.191 1.00 0.00 C ATOM 1229 OH TYR A 80 7.562 -9.709 -4.659 1.00 0.00 O ATOM 0 H TYR A 80 2.223 -4.134 -1.948 1.00 0.00 H new ATOM 0 HA TYR A 80 4.425 -5.754 -0.789 1.00 0.00 H new ATOM 0 HB2 TYR A 80 2.717 -6.722 -2.326 1.00 0.00 H new ATOM 0 HB3 TYR A 80 3.147 -5.572 -3.576 1.00 0.00 H new ATOM 0 HD1 TYR A 80 5.638 -5.588 -4.401 1.00 0.00 H new ATOM 0 HD2 TYR A 80 3.835 -8.811 -2.199 1.00 0.00 H new ATOM 0 HE1 TYR A 80 7.376 -7.139 -5.240 1.00 0.00 H new ATOM 0 HE2 TYR A 80 5.577 -10.358 -3.043 1.00 0.00 H new ATOM 0 HH TYR A 80 7.407 -10.605 -4.294 1.00 0.00 H new ATOM 1239 N VAL A 81 6.558 -4.863 -1.992 1.00 0.00 N ATOM 1240 CA VAL A 81 7.750 -4.115 -2.503 1.00 0.00 C ATOM 1241 C VAL A 81 8.863 -5.106 -2.924 1.00 0.00 C ATOM 1242 O VAL A 81 9.373 -5.840 -2.106 1.00 0.00 O ATOM 1243 CB VAL A 81 8.232 -3.235 -1.332 1.00 0.00 C ATOM 1244 CG1 VAL A 81 9.679 -2.814 -1.572 1.00 0.00 C ATOM 1245 CG2 VAL A 81 7.355 -1.996 -1.269 1.00 0.00 C ATOM 0 H VAL A 81 6.772 -5.722 -1.485 1.00 0.00 H new ATOM 0 HA VAL A 81 7.502 -3.514 -3.378 1.00 0.00 H new ATOM 0 HB VAL A 81 8.170 -3.791 -0.397 1.00 0.00 H new ATOM 0 HG11 VAL A 81 10.019 -2.192 -0.744 1.00 0.00 H new ATOM 0 HG12 VAL A 81 10.309 -3.701 -1.642 1.00 0.00 H new ATOM 0 HG13 VAL A 81 9.744 -2.248 -2.501 1.00 0.00 H new ATOM 0 HG21 VAL A 81 7.681 -1.361 -0.446 1.00 0.00 H new ATOM 0 HG22 VAL A 81 7.435 -1.445 -2.206 1.00 0.00 H new ATOM 0 HG23 VAL A 81 6.318 -2.292 -1.110 1.00 0.00 H new ATOM 1255 N SER A 82 9.240 -5.151 -4.184 1.00 0.00 N ATOM 1256 CA SER A 82 10.313 -6.124 -4.611 1.00 0.00 C ATOM 1257 C SER A 82 11.716 -5.672 -4.174 1.00 0.00 C ATOM 1258 O SER A 82 11.954 -4.513 -3.886 1.00 0.00 O ATOM 1259 CB SER A 82 10.234 -6.176 -6.155 1.00 0.00 C ATOM 1260 OG SER A 82 8.945 -6.631 -6.543 1.00 0.00 O ATOM 0 H SER A 82 8.860 -4.567 -4.929 1.00 0.00 H new ATOM 0 HA SER A 82 10.151 -7.097 -4.147 1.00 0.00 H new ATOM 0 HB2 SER A 82 10.425 -5.188 -6.574 1.00 0.00 H new ATOM 0 HB3 SER A 82 11.001 -6.843 -6.548 1.00 0.00 H new ATOM 0 HG SER A 82 8.890 -6.664 -7.521 1.00 0.00 H new ATOM 1266 N PRO A 83 12.602 -6.641 -4.182 1.00 0.00 N ATOM 1267 CA PRO A 83 14.020 -6.403 -3.823 1.00 0.00 C ATOM 1268 C PRO A 83 14.635 -5.479 -4.865 1.00 0.00 C ATOM 1269 O PRO A 83 15.208 -4.458 -4.541 1.00 0.00 O ATOM 1270 CB PRO A 83 14.643 -7.799 -3.860 1.00 0.00 C ATOM 1271 CG PRO A 83 13.750 -8.585 -4.760 1.00 0.00 C ATOM 1272 CD PRO A 83 12.364 -8.044 -4.541 1.00 0.00 C ATOM 0 HA PRO A 83 14.168 -5.927 -2.854 1.00 0.00 H new ATOM 0 HB2 PRO A 83 15.663 -7.768 -4.242 1.00 0.00 H new ATOM 0 HB3 PRO A 83 14.689 -8.239 -2.864 1.00 0.00 H new ATOM 0 HG2 PRO A 83 14.052 -8.476 -5.802 1.00 0.00 H new ATOM 0 HG3 PRO A 83 13.796 -9.648 -4.524 1.00 0.00 H new ATOM 0 HD2 PRO A 83 11.752 -8.131 -5.439 1.00 0.00 H new ATOM 0 HD3 PRO A 83 11.844 -8.580 -3.747 1.00 0.00 H new ATOM 1280 N SER A 84 14.483 -5.806 -6.123 1.00 0.00 N ATOM 1281 CA SER A 84 15.020 -4.911 -7.181 1.00 0.00 C ATOM 1282 C SER A 84 14.620 -3.480 -6.829 1.00 0.00 C ATOM 1283 O SER A 84 15.402 -2.562 -6.923 1.00 0.00 O ATOM 1284 CB SER A 84 14.340 -5.363 -8.474 1.00 0.00 C ATOM 1285 OG SER A 84 13.140 -4.624 -8.655 1.00 0.00 O ATOM 0 H SER A 84 14.014 -6.648 -6.457 1.00 0.00 H new ATOM 0 HA SER A 84 16.105 -4.951 -7.279 1.00 0.00 H new ATOM 0 HB2 SER A 84 15.007 -5.209 -9.322 1.00 0.00 H new ATOM 0 HB3 SER A 84 14.121 -6.430 -8.430 1.00 0.00 H new ATOM 0 HG SER A 84 12.702 -4.910 -9.484 1.00 0.00 H new ATOM 1291 N GLN A 85 13.405 -3.298 -6.378 1.00 0.00 N ATOM 1292 CA GLN A 85 12.968 -1.908 -5.979 1.00 0.00 C ATOM 1293 C GLN A 85 13.854 -1.443 -4.811 1.00 0.00 C ATOM 1294 O GLN A 85 14.540 -0.445 -4.903 1.00 0.00 O ATOM 1295 CB GLN A 85 11.492 -1.989 -5.535 1.00 0.00 C ATOM 1296 CG GLN A 85 10.562 -1.814 -6.747 1.00 0.00 C ATOM 1297 CD GLN A 85 10.740 -0.417 -7.352 1.00 0.00 C ATOM 1298 OE1 GLN A 85 11.759 -0.120 -7.943 1.00 0.00 O ATOM 1299 NE2 GLN A 85 9.778 0.456 -7.240 1.00 0.00 N ATOM 0 H GLN A 85 12.703 -4.029 -6.267 1.00 0.00 H new ATOM 0 HA GLN A 85 13.064 -1.202 -6.804 1.00 0.00 H new ATOM 0 HB2 GLN A 85 11.301 -2.950 -5.057 1.00 0.00 H new ATOM 0 HB3 GLN A 85 11.285 -1.217 -4.794 1.00 0.00 H new ATOM 0 HG2 GLN A 85 10.782 -2.574 -7.497 1.00 0.00 H new ATOM 0 HG3 GLN A 85 9.525 -1.957 -6.443 1.00 0.00 H new ATOM 0 HE21 GLN A 85 8.921 0.210 -6.744 1.00 0.00 H new ATOM 0 HE22 GLN A 85 9.882 1.385 -7.648 1.00 0.00 H new ATOM 1308 N ILE A 86 13.866 -2.178 -3.726 1.00 0.00 N ATOM 1309 CA ILE A 86 14.742 -1.791 -2.566 1.00 0.00 C ATOM 1310 C ILE A 86 16.174 -1.677 -3.061 1.00 0.00 C ATOM 1311 O ILE A 86 16.830 -0.666 -2.901 1.00 0.00 O ATOM 1312 CB ILE A 86 14.684 -2.929 -1.509 1.00 0.00 C ATOM 1313 CG1 ILE A 86 13.431 -3.803 -1.676 1.00 0.00 C ATOM 1314 CG2 ILE A 86 14.674 -2.320 -0.116 1.00 0.00 C ATOM 1315 CD1 ILE A 86 13.304 -4.799 -0.512 1.00 0.00 C ATOM 0 H ILE A 86 13.313 -3.024 -3.590 1.00 0.00 H new ATOM 0 HA ILE A 86 14.409 -0.847 -2.136 1.00 0.00 H new ATOM 0 HB ILE A 86 15.561 -3.560 -1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 86 12.544 -3.171 -1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 86 13.483 -4.345 -2.621 1.00 0.00 H new ATOM 0 HG21 ILE A 86 14.633 -3.115 0.628 1.00 0.00 H new ATOM 0 HG22 ILE A 86 15.580 -1.732 0.030 1.00 0.00 H new ATOM 0 HG23 ILE A 86 13.802 -1.676 -0.007 1.00 0.00 H new ATOM 0 HD11 ILE A 86 12.410 -5.408 -0.650 1.00 0.00 H new ATOM 0 HD12 ILE A 86 14.182 -5.444 -0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 86 13.229 -4.252 0.428 1.00 0.00 H new ATOM 1327 N ARG A 87 16.662 -2.727 -3.639 1.00 0.00 N ATOM 1328 CA ARG A 87 18.063 -2.729 -4.141 1.00 0.00 C ATOM 1329 C ARG A 87 18.298 -1.623 -5.161 1.00 0.00 C ATOM 1330 O ARG A 87 19.329 -0.980 -5.183 1.00 0.00 O ATOM 1331 CB ARG A 87 18.221 -4.084 -4.814 1.00 0.00 C ATOM 1332 CG ARG A 87 19.074 -4.996 -3.930 1.00 0.00 C ATOM 1333 CD ARG A 87 18.934 -6.446 -4.399 1.00 0.00 C ATOM 1334 NE ARG A 87 19.681 -7.247 -3.390 1.00 0.00 N ATOM 1335 CZ ARG A 87 19.092 -7.619 -2.286 1.00 0.00 C ATOM 1336 NH1 ARG A 87 17.996 -8.323 -2.339 1.00 0.00 N ATOM 1337 NH2 ARG A 87 19.601 -7.286 -1.130 1.00 0.00 N ATOM 0 H ARG A 87 16.149 -3.596 -3.789 1.00 0.00 H new ATOM 0 HA ARG A 87 18.775 -2.559 -3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 87 17.243 -4.534 -4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 87 18.690 -3.964 -5.791 1.00 0.00 H new ATOM 0 HG2 ARG A 87 20.119 -4.688 -3.975 1.00 0.00 H new ATOM 0 HG3 ARG A 87 18.760 -4.908 -2.890 1.00 0.00 H new ATOM 0 HD2 ARG A 87 17.887 -6.747 -4.447 1.00 0.00 H new ATOM 0 HD3 ARG A 87 19.350 -6.581 -5.397 1.00 0.00 H new ATOM 0 HE ARG A 87 20.653 -7.505 -3.562 1.00 0.00 H new ATOM 0 HH11 ARG A 87 17.600 -8.583 -3.242 1.00 0.00 H new ATOM 0 HH12 ARG A 87 17.535 -8.614 -1.477 1.00 0.00 H new ATOM 0 HH21 ARG A 87 20.459 -6.735 -1.090 1.00 0.00 H new ATOM 0 HH22 ARG A 87 19.141 -7.577 -0.267 1.00 0.00 H new ATOM 1351 N ARG A 88 17.363 -1.436 -6.030 1.00 0.00 N ATOM 1352 CA ARG A 88 17.543 -0.396 -7.105 1.00 0.00 C ATOM 1353 C ARG A 88 17.739 1.004 -6.519 1.00 0.00 C ATOM 1354 O ARG A 88 18.518 1.778 -7.041 1.00 0.00 O ATOM 1355 CB ARG A 88 16.299 -0.422 -8.021 1.00 0.00 C ATOM 1356 CG ARG A 88 16.426 -1.579 -9.015 1.00 0.00 C ATOM 1357 CD ARG A 88 16.866 -1.037 -10.376 1.00 0.00 C ATOM 1358 NE ARG A 88 17.677 -2.130 -10.981 1.00 0.00 N ATOM 1359 CZ ARG A 88 18.806 -2.486 -10.430 1.00 0.00 C ATOM 1360 NH1 ARG A 88 19.554 -1.595 -9.841 1.00 0.00 N ATOM 1361 NH2 ARG A 88 19.188 -3.733 -10.472 1.00 0.00 N ATOM 0 H ARG A 88 16.480 -1.946 -6.058 1.00 0.00 H new ATOM 0 HA ARG A 88 18.443 -0.631 -7.674 1.00 0.00 H new ATOM 0 HB2 ARG A 88 15.395 -0.539 -7.423 1.00 0.00 H new ATOM 0 HB3 ARG A 88 16.207 0.523 -8.556 1.00 0.00 H new ATOM 0 HG2 ARG A 88 17.150 -2.308 -8.651 1.00 0.00 H new ATOM 0 HG3 ARG A 88 15.472 -2.098 -9.109 1.00 0.00 H new ATOM 0 HD2 ARG A 88 16.007 -0.791 -11.000 1.00 0.00 H new ATOM 0 HD3 ARG A 88 17.452 -0.124 -10.267 1.00 0.00 H new ATOM 0 HE ARG A 88 17.351 -2.600 -11.825 1.00 0.00 H new ATOM 0 HH11 ARG A 88 19.257 -0.620 -9.811 1.00 0.00 H new ATOM 0 HH12 ARG A 88 20.436 -1.873 -9.411 1.00 0.00 H new ATOM 0 HH21 ARG A 88 18.605 -4.430 -10.935 1.00 0.00 H new ATOM 0 HH22 ARG A 88 20.070 -4.011 -10.042 1.00 0.00 H new ATOM 1375 N PHE A 89 17.068 1.367 -5.455 1.00 0.00 N ATOM 1376 CA PHE A 89 17.315 2.757 -4.939 1.00 0.00 C ATOM 1377 C PHE A 89 18.086 2.726 -3.604 1.00 0.00 C ATOM 1378 O PHE A 89 18.216 3.737 -2.944 1.00 0.00 O ATOM 1379 CB PHE A 89 15.934 3.453 -4.799 1.00 0.00 C ATOM 1380 CG PHE A 89 15.032 3.027 -5.935 1.00 0.00 C ATOM 1381 CD1 PHE A 89 15.427 3.248 -7.259 1.00 0.00 C ATOM 1382 CD2 PHE A 89 13.801 2.417 -5.664 1.00 0.00 C ATOM 1383 CE1 PHE A 89 14.595 2.858 -8.314 1.00 0.00 C ATOM 1384 CE2 PHE A 89 12.968 2.026 -6.720 1.00 0.00 C ATOM 1385 CZ PHE A 89 13.365 2.246 -8.045 1.00 0.00 C ATOM 0 H PHE A 89 16.394 0.800 -4.941 1.00 0.00 H new ATOM 0 HA PHE A 89 17.941 3.319 -5.632 1.00 0.00 H new ATOM 0 HB2 PHE A 89 15.479 3.192 -3.843 1.00 0.00 H new ATOM 0 HB3 PHE A 89 16.059 4.536 -4.807 1.00 0.00 H new ATOM 0 HD1 PHE A 89 16.376 3.720 -7.467 1.00 0.00 H new ATOM 0 HD2 PHE A 89 13.494 2.248 -4.642 1.00 0.00 H new ATOM 0 HE1 PHE A 89 14.901 3.029 -9.335 1.00 0.00 H new ATOM 0 HE2 PHE A 89 12.019 1.554 -6.512 1.00 0.00 H new ATOM 0 HZ PHE A 89 12.723 1.944 -8.859 1.00 0.00 H new ATOM 1395 N ASN A 90 18.630 1.590 -3.208 1.00 0.00 N ATOM 1396 CA ASN A 90 19.408 1.543 -1.943 1.00 0.00 C ATOM 1397 C ASN A 90 18.515 1.855 -0.745 1.00 0.00 C ATOM 1398 O ASN A 90 18.814 2.719 0.055 1.00 0.00 O ATOM 1399 CB ASN A 90 20.505 2.617 -2.102 1.00 0.00 C ATOM 1400 CG ASN A 90 21.771 2.164 -1.372 1.00 0.00 C ATOM 1401 OD1 ASN A 90 22.125 2.712 -0.347 1.00 0.00 O ATOM 1402 ND2 ASN A 90 22.470 1.177 -1.860 1.00 0.00 N ATOM 0 H ASN A 90 18.563 0.705 -3.711 1.00 0.00 H new ATOM 0 HA ASN A 90 19.830 0.554 -1.763 1.00 0.00 H new ATOM 0 HB2 ASN A 90 20.720 2.779 -3.158 1.00 0.00 H new ATOM 0 HB3 ASN A 90 20.159 3.568 -1.697 1.00 0.00 H new ATOM 0 HD21 ASN A 90 23.315 0.865 -1.381 1.00 0.00 H new ATOM 0 HD22 ASN A 90 22.172 0.718 -2.721 1.00 0.00 H new ATOM 1409 N LEU A 91 17.429 1.150 -0.605 1.00 0.00 N ATOM 1410 CA LEU A 91 16.532 1.409 0.563 1.00 0.00 C ATOM 1411 C LEU A 91 16.955 0.536 1.742 1.00 0.00 C ATOM 1412 O LEU A 91 17.985 -0.106 1.715 1.00 0.00 O ATOM 1413 CB LEU A 91 15.114 1.012 0.118 1.00 0.00 C ATOM 1414 CG LEU A 91 14.904 1.336 -1.357 1.00 0.00 C ATOM 1415 CD1 LEU A 91 13.426 1.180 -1.693 1.00 0.00 C ATOM 1416 CD2 LEU A 91 15.328 2.771 -1.634 1.00 0.00 C ATOM 0 H LEU A 91 17.122 0.412 -1.239 1.00 0.00 H new ATOM 0 HA LEU A 91 16.579 2.453 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 91 14.959 -0.053 0.288 1.00 0.00 H new ATOM 0 HB3 LEU A 91 14.376 1.541 0.721 1.00 0.00 H new ATOM 0 HG LEU A 91 15.501 0.658 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 91 13.266 1.410 -2.746 1.00 0.00 H new ATOM 0 HD12 LEU A 91 13.114 0.155 -1.494 1.00 0.00 H new ATOM 0 HD13 LEU A 91 12.839 1.864 -1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 91 15.176 2.998 -2.689 1.00 0.00 H new ATOM 0 HD22 LEU A 91 14.730 3.451 -1.027 1.00 0.00 H new ATOM 0 HD23 LEU A 91 16.382 2.894 -1.385 1.00 0.00 H new ATOM 1428 N ARG A 92 16.142 0.481 2.759 1.00 0.00 N ATOM 1429 CA ARG A 92 16.469 -0.384 3.934 1.00 0.00 C ATOM 1430 C ARG A 92 15.178 -0.665 4.716 1.00 0.00 C ATOM 1431 O ARG A 92 14.202 0.071 4.610 1.00 0.00 O ATOM 1432 CB ARG A 92 17.449 0.421 4.804 1.00 0.00 C ATOM 1433 CG ARG A 92 18.756 0.641 4.041 1.00 0.00 C ATOM 1434 CD ARG A 92 19.867 1.020 5.024 1.00 0.00 C ATOM 1435 NE ARG A 92 20.847 -0.098 4.943 1.00 0.00 N ATOM 1436 CZ ARG A 92 20.523 -1.286 5.380 1.00 0.00 C ATOM 1437 NH1 ARG A 92 20.084 -1.436 6.601 1.00 0.00 N ATOM 1438 NH2 ARG A 92 20.639 -2.323 4.597 1.00 0.00 N ATOM 0 H ARG A 92 15.265 0.996 2.831 1.00 0.00 H new ATOM 0 HA ARG A 92 16.907 -1.336 3.634 1.00 0.00 H new ATOM 0 HB2 ARG A 92 17.008 1.381 5.073 1.00 0.00 H new ATOM 0 HB3 ARG A 92 17.645 -0.111 5.735 1.00 0.00 H new ATOM 0 HG2 ARG A 92 19.029 -0.264 3.499 1.00 0.00 H new ATOM 0 HG3 ARG A 92 18.628 1.430 3.300 1.00 0.00 H new ATOM 0 HD2 ARG A 92 20.328 1.970 4.753 1.00 0.00 H new ATOM 0 HD3 ARG A 92 19.478 1.132 6.036 1.00 0.00 H new ATOM 0 HE ARG A 92 21.772 0.064 4.546 1.00 0.00 H new ATOM 0 HH11 ARG A 92 19.994 -0.626 7.214 1.00 0.00 H new ATOM 0 HH12 ARG A 92 19.831 -2.364 6.942 1.00 0.00 H new ATOM 0 HH21 ARG A 92 20.983 -2.206 3.644 1.00 0.00 H new ATOM 0 HH22 ARG A 92 20.386 -3.250 4.938 1.00 0.00 H new ATOM 1452 N THR A 93 15.146 -1.671 5.546 1.00 0.00 N ATOM 1453 CA THR A 93 13.876 -1.879 6.307 1.00 0.00 C ATOM 1454 C THR A 93 13.699 -0.662 7.218 1.00 0.00 C ATOM 1455 O THR A 93 14.666 -0.015 7.566 1.00 0.00 O ATOM 1456 CB THR A 93 13.983 -3.180 7.175 1.00 0.00 C ATOM 1457 OG1 THR A 93 12.672 -3.650 7.445 1.00 0.00 O ATOM 1458 CG2 THR A 93 14.667 -2.858 8.510 1.00 0.00 C ATOM 0 H THR A 93 15.902 -2.331 5.728 1.00 0.00 H new ATOM 0 HA THR A 93 13.028 -1.989 5.631 1.00 0.00 H new ATOM 0 HB THR A 93 14.562 -3.931 6.638 1.00 0.00 H new ATOM 0 HG1 THR A 93 12.232 -3.046 8.079 1.00 0.00 H new ATOM 0 HG21 THR A 93 14.739 -3.765 9.110 1.00 0.00 H new ATOM 0 HG22 THR A 93 15.667 -2.467 8.322 1.00 0.00 H new ATOM 0 HG23 THR A 93 14.082 -2.113 9.048 1.00 0.00 H new ATOM 1466 N GLY A 94 12.508 -0.332 7.625 1.00 0.00 N ATOM 1467 CA GLY A 94 12.395 0.865 8.532 1.00 0.00 C ATOM 1468 C GLY A 94 12.568 2.171 7.724 1.00 0.00 C ATOM 1469 O GLY A 94 12.367 3.248 8.249 1.00 0.00 O ATOM 0 H GLY A 94 11.637 -0.808 7.389 1.00 0.00 H new ATOM 0 HA2 GLY A 94 11.425 0.863 9.028 1.00 0.00 H new ATOM 0 HA3 GLY A 94 13.153 0.810 9.313 1.00 0.00 H new ATOM 1473 N ASP A 95 12.959 2.110 6.460 1.00 0.00 N ATOM 1474 CA ASP A 95 13.152 3.373 5.689 1.00 0.00 C ATOM 1475 C ASP A 95 11.805 4.074 5.447 1.00 0.00 C ATOM 1476 O ASP A 95 10.774 3.437 5.325 1.00 0.00 O ATOM 1477 CB ASP A 95 13.780 2.939 4.357 1.00 0.00 C ATOM 1478 CG ASP A 95 15.304 2.916 4.496 1.00 0.00 C ATOM 1479 OD1 ASP A 95 15.780 3.016 5.615 1.00 0.00 O ATOM 1480 OD2 ASP A 95 15.970 2.797 3.480 1.00 0.00 O ATOM 0 H ASP A 95 13.147 1.250 5.946 1.00 0.00 H new ATOM 0 HA ASP A 95 13.781 4.083 6.225 1.00 0.00 H new ATOM 0 HB2 ASP A 95 13.415 1.951 4.075 1.00 0.00 H new ATOM 0 HB3 ASP A 95 13.487 3.626 3.563 1.00 0.00 H new ATOM 1485 N THR A 96 11.827 5.383 5.362 1.00 0.00 N ATOM 1486 CA THR A 96 10.588 6.175 5.121 1.00 0.00 C ATOM 1487 C THR A 96 10.406 6.381 3.604 1.00 0.00 C ATOM 1488 O THR A 96 11.287 6.927 2.960 1.00 0.00 O ATOM 1489 CB THR A 96 10.842 7.525 5.820 1.00 0.00 C ATOM 1490 OG1 THR A 96 11.924 7.388 6.729 1.00 0.00 O ATOM 1491 CG2 THR A 96 9.593 7.966 6.586 1.00 0.00 C ATOM 0 H THR A 96 12.674 5.944 5.452 1.00 0.00 H new ATOM 0 HA THR A 96 9.690 5.686 5.498 1.00 0.00 H new ATOM 0 HB THR A 96 11.082 8.275 5.066 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.088 8.246 7.173 1.00 0.00 H new ATOM 0 HG21 THR A 96 9.785 8.921 7.076 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.760 8.075 5.892 1.00 0.00 H new ATOM 0 HG23 THR A 96 9.343 7.217 7.337 1.00 0.00 H new ATOM 1499 N ILE A 97 9.310 5.949 2.993 1.00 0.00 N ATOM 1500 CA ILE A 97 9.208 6.154 1.516 1.00 0.00 C ATOM 1501 C ILE A 97 7.769 6.451 1.050 1.00 0.00 C ATOM 1502 O ILE A 97 6.804 6.265 1.775 1.00 0.00 O ATOM 1503 CB ILE A 97 9.713 4.833 0.889 1.00 0.00 C ATOM 1504 CG1 ILE A 97 10.887 4.271 1.725 1.00 0.00 C ATOM 1505 CG2 ILE A 97 10.159 5.060 -0.559 1.00 0.00 C ATOM 1506 CD1 ILE A 97 11.680 3.254 0.891 1.00 0.00 C ATOM 0 H ILE A 97 8.519 5.484 3.440 1.00 0.00 H new ATOM 0 HA ILE A 97 9.793 7.021 1.211 1.00 0.00 H new ATOM 0 HB ILE A 97 8.896 4.112 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 97 11.541 5.083 2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 97 10.507 3.796 2.629 1.00 0.00 H new ATOM 0 HG21 ILE A 97 10.511 4.120 -0.983 1.00 0.00 H new ATOM 0 HG22 ILE A 97 9.318 5.430 -1.145 1.00 0.00 H new ATOM 0 HG23 ILE A 97 10.966 5.792 -0.581 1.00 0.00 H new ATOM 0 HD11 ILE A 97 12.506 2.861 1.485 1.00 0.00 H new ATOM 0 HD12 ILE A 97 11.024 2.435 0.596 1.00 0.00 H new ATOM 0 HD13 ILE A 97 12.074 3.743 -0.000 1.00 0.00 H new ATOM 1518 N SER A 98 7.643 6.915 -0.197 1.00 0.00 N ATOM 1519 CA SER A 98 6.298 7.225 -0.751 1.00 0.00 C ATOM 1520 C SER A 98 6.300 7.031 -2.275 1.00 0.00 C ATOM 1521 O SER A 98 7.268 7.385 -2.939 1.00 0.00 O ATOM 1522 CB SER A 98 6.032 8.713 -0.391 1.00 0.00 C ATOM 1523 OG SER A 98 6.992 9.519 -1.061 1.00 0.00 O ATOM 0 H SER A 98 8.422 7.084 -0.834 1.00 0.00 H new ATOM 0 HA SER A 98 5.527 6.571 -0.344 1.00 0.00 H new ATOM 0 HB2 SER A 98 5.023 9.000 -0.688 1.00 0.00 H new ATOM 0 HB3 SER A 98 6.101 8.860 0.687 1.00 0.00 H new ATOM 0 HG SER A 98 6.543 10.283 -1.480 1.00 0.00 H new ATOM 1529 N GLY A 99 5.232 6.465 -2.852 1.00 0.00 N ATOM 1530 CA GLY A 99 5.266 6.269 -4.348 1.00 0.00 C ATOM 1531 C GLY A 99 3.880 5.969 -4.995 1.00 0.00 C ATOM 1532 O GLY A 99 2.873 5.884 -4.319 1.00 0.00 O ATOM 0 H GLY A 99 4.388 6.150 -2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 99 5.681 7.165 -4.809 1.00 0.00 H new ATOM 0 HA3 GLY A 99 5.945 5.448 -4.578 1.00 0.00 H new ATOM 1536 N LYS A 100 3.844 5.776 -6.334 1.00 0.00 N ATOM 1537 CA LYS A 100 2.548 5.451 -7.024 1.00 0.00 C ATOM 1538 C LYS A 100 2.395 3.919 -6.959 1.00 0.00 C ATOM 1539 O LYS A 100 3.406 3.240 -6.829 1.00 0.00 O ATOM 1540 CB LYS A 100 2.643 5.978 -8.475 1.00 0.00 C ATOM 1541 CG LYS A 100 2.848 4.828 -9.472 1.00 0.00 C ATOM 1542 CD LYS A 100 2.782 5.370 -10.901 1.00 0.00 C ATOM 1543 CE LYS A 100 1.428 6.047 -11.128 1.00 0.00 C ATOM 1544 NZ LYS A 100 0.961 5.543 -12.450 1.00 0.00 N ATOM 0 H LYS A 100 4.656 5.834 -6.949 1.00 0.00 H new ATOM 0 HA LYS A 100 1.676 5.914 -6.561 1.00 0.00 H new ATOM 0 HB2 LYS A 100 1.733 6.523 -8.727 1.00 0.00 H new ATOM 0 HB3 LYS A 100 3.470 6.684 -8.555 1.00 0.00 H new ATOM 0 HG2 LYS A 100 3.812 4.350 -9.298 1.00 0.00 H new ATOM 0 HG3 LYS A 100 2.083 4.066 -9.326 1.00 0.00 H new ATOM 0 HD2 LYS A 100 3.590 6.083 -11.069 1.00 0.00 H new ATOM 0 HD3 LYS A 100 2.919 4.559 -11.616 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.722 5.793 -10.337 1.00 0.00 H new ATOM 0 HE3 LYS A 100 1.525 7.133 -11.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 0.037 5.963 -12.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 1.649 5.806 -13.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.871 4.508 -12.415 1.00 0.00 H new ATOM 1558 N ILE A 101 1.194 3.340 -7.025 1.00 0.00 N ATOM 1559 CA ILE A 101 1.115 1.837 -6.882 1.00 0.00 C ATOM 1560 C ILE A 101 0.452 1.114 -8.079 1.00 0.00 C ATOM 1561 O ILE A 101 -0.297 1.713 -8.825 1.00 0.00 O ATOM 1562 CB ILE A 101 0.289 1.618 -5.588 1.00 0.00 C ATOM 1563 CG1 ILE A 101 -0.825 2.680 -5.493 1.00 0.00 C ATOM 1564 CG2 ILE A 101 1.208 1.725 -4.366 1.00 0.00 C ATOM 1565 CD1 ILE A 101 -1.663 2.477 -4.221 1.00 0.00 C ATOM 0 H ILE A 101 0.307 3.824 -7.165 1.00 0.00 H new ATOM 0 HA ILE A 101 2.118 1.411 -6.845 1.00 0.00 H new ATOM 0 HB ILE A 101 -0.163 0.626 -5.615 1.00 0.00 H new ATOM 0 HG12 ILE A 101 -0.384 3.677 -5.489 1.00 0.00 H new ATOM 0 HG13 ILE A 101 -1.468 2.619 -6.371 1.00 0.00 H new ATOM 0 HG21 ILE A 101 0.625 1.571 -3.458 1.00 0.00 H new ATOM 0 HG22 ILE A 101 1.988 0.966 -4.430 1.00 0.00 H new ATOM 0 HG23 ILE A 101 1.665 2.714 -4.340 1.00 0.00 H new ATOM 0 HD11 ILE A 101 -2.443 3.237 -4.174 1.00 0.00 H new ATOM 0 HD12 ILE A 101 -2.121 1.488 -4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 101 -1.020 2.562 -3.345 1.00 0.00 H new ATOM 1577 N ARG A 102 0.710 -0.191 -8.270 1.00 0.00 N ATOM 1578 CA ARG A 102 0.070 -0.907 -9.406 1.00 0.00 C ATOM 1579 C ARG A 102 0.183 -2.423 -9.190 1.00 0.00 C ATOM 1580 O ARG A 102 0.919 -2.879 -8.331 1.00 0.00 O ATOM 1581 CB ARG A 102 0.855 -0.472 -10.644 1.00 0.00 C ATOM 1582 CG ARG A 102 -0.030 0.413 -11.524 1.00 0.00 C ATOM 1583 CD ARG A 102 0.079 -0.039 -12.982 1.00 0.00 C ATOM 1584 NE ARG A 102 -0.908 0.798 -13.721 1.00 0.00 N ATOM 1585 CZ ARG A 102 -2.159 0.433 -13.782 1.00 0.00 C ATOM 1586 NH1 ARG A 102 -2.566 -0.343 -14.751 1.00 0.00 N ATOM 1587 NH2 ARG A 102 -3.006 0.842 -12.876 1.00 0.00 N ATOM 0 H ARG A 102 1.326 -0.757 -7.687 1.00 0.00 H new ATOM 0 HA ARG A 102 -0.991 -0.676 -9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 102 1.751 0.073 -10.347 1.00 0.00 H new ATOM 0 HB3 ARG A 102 1.185 -1.347 -11.205 1.00 0.00 H new ATOM 0 HG2 ARG A 102 -1.066 0.354 -11.191 1.00 0.00 H new ATOM 0 HG3 ARG A 102 0.275 1.455 -11.432 1.00 0.00 H new ATOM 0 HD2 ARG A 102 1.088 0.109 -13.367 1.00 0.00 H new ATOM 0 HD3 ARG A 102 -0.149 -1.100 -13.084 1.00 0.00 H new ATOM 0 HE ARG A 102 -0.605 1.657 -14.180 1.00 0.00 H new ATOM 0 HH11 ARG A 102 -1.906 -0.663 -15.459 1.00 0.00 H new ATOM 0 HH12 ARG A 102 -3.544 -0.629 -14.799 1.00 0.00 H new ATOM 0 HH21 ARG A 102 -2.690 1.448 -12.119 1.00 0.00 H new ATOM 0 HH22 ARG A 102 -3.984 0.555 -12.926 1.00 0.00 H new ATOM 1688 N ARG A 109 -1.214 -11.117 -5.344 1.00 0.00 N ATOM 1689 CA ARG A 109 -2.045 -11.213 -4.083 1.00 0.00 C ATOM 1690 C ARG A 109 -2.099 -9.857 -3.339 1.00 0.00 C ATOM 1691 O ARG A 109 -3.159 -9.407 -2.951 1.00 0.00 O ATOM 1692 CB ARG A 109 -1.377 -12.303 -3.212 1.00 0.00 C ATOM 1693 CG ARG A 109 -1.479 -13.653 -3.932 1.00 0.00 C ATOM 1694 CD ARG A 109 -2.777 -14.364 -3.531 1.00 0.00 C ATOM 1695 NE ARG A 109 -3.824 -13.780 -4.414 1.00 0.00 N ATOM 1696 CZ ARG A 109 -5.077 -14.117 -4.257 1.00 0.00 C ATOM 1697 NH1 ARG A 109 -5.416 -14.963 -3.321 1.00 0.00 N ATOM 1698 NH2 ARG A 109 -5.992 -13.607 -5.035 1.00 0.00 N ATOM 0 HA ARG A 109 -3.079 -11.470 -4.313 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.332 -12.051 -3.031 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -1.865 -12.358 -2.239 1.00 0.00 H new ATOM 0 HG2 ARG A 109 -1.456 -13.502 -5.011 1.00 0.00 H new ATOM 0 HG3 ARG A 109 -0.621 -14.275 -3.679 1.00 0.00 H new ATOM 0 HD2 ARG A 109 -2.697 -15.442 -3.673 1.00 0.00 H new ATOM 0 HD3 ARG A 109 -3.010 -14.198 -2.479 1.00 0.00 H new ATOM 0 HE ARG A 109 -3.563 -13.116 -5.143 1.00 0.00 H new ATOM 0 HH11 ARG A 109 -4.702 -15.362 -2.711 1.00 0.00 H new ATOM 0 HH12 ARG A 109 -6.394 -15.225 -3.200 1.00 0.00 H new ATOM 0 HH21 ARG A 109 -5.729 -12.945 -5.766 1.00 0.00 H new ATOM 0 HH22 ARG A 109 -6.970 -13.870 -4.913 1.00 0.00 H new ATOM 1712 N TYR A 110 -0.985 -9.173 -3.186 1.00 0.00 N ATOM 1713 CA TYR A 110 -1.033 -7.811 -2.518 1.00 0.00 C ATOM 1714 C TYR A 110 -0.765 -6.741 -3.608 1.00 0.00 C ATOM 1715 O TYR A 110 -0.111 -7.044 -4.588 1.00 0.00 O ATOM 1716 CB TYR A 110 0.089 -7.765 -1.418 1.00 0.00 C ATOM 1717 CG TYR A 110 0.006 -8.974 -0.500 1.00 0.00 C ATOM 1718 CD1 TYR A 110 0.272 -10.260 -0.992 1.00 0.00 C ATOM 1719 CD2 TYR A 110 -0.332 -8.805 0.856 1.00 0.00 C ATOM 1720 CE1 TYR A 110 0.198 -11.368 -0.138 1.00 0.00 C ATOM 1721 CE2 TYR A 110 -0.406 -9.917 1.705 1.00 0.00 C ATOM 1722 CZ TYR A 110 -0.143 -11.197 1.208 1.00 0.00 C ATOM 1723 OH TYR A 110 -0.218 -12.290 2.045 1.00 0.00 O ATOM 0 H TYR A 110 -0.060 -9.483 -3.485 1.00 0.00 H new ATOM 0 HA TYR A 110 -2.000 -7.623 -2.051 1.00 0.00 H new ATOM 0 HB2 TYR A 110 1.069 -7.733 -1.895 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -0.010 -6.852 -0.831 1.00 0.00 H new ATOM 0 HD1 TYR A 110 0.534 -10.396 -2.031 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.535 -7.817 1.242 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.405 -12.357 -0.520 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.667 -9.785 2.745 1.00 0.00 H new ATOM 0 HH TYR A 110 -0.466 -11.995 2.946 1.00 0.00 H new ATOM 1733 N PHE A 111 -1.208 -5.494 -3.486 1.00 0.00 N ATOM 1734 CA PHE A 111 -0.861 -4.529 -4.591 1.00 0.00 C ATOM 1735 C PHE A 111 0.663 -4.316 -4.550 1.00 0.00 C ATOM 1736 O PHE A 111 1.299 -4.688 -3.579 1.00 0.00 O ATOM 1737 CB PHE A 111 -1.603 -3.213 -4.286 1.00 0.00 C ATOM 1738 CG PHE A 111 -3.039 -3.327 -4.738 1.00 0.00 C ATOM 1739 CD1 PHE A 111 -3.374 -3.108 -6.080 1.00 0.00 C ATOM 1740 CD2 PHE A 111 -4.035 -3.653 -3.813 1.00 0.00 C ATOM 1741 CE1 PHE A 111 -4.708 -3.215 -6.493 1.00 0.00 C ATOM 1742 CE2 PHE A 111 -5.368 -3.761 -4.226 1.00 0.00 C ATOM 1743 CZ PHE A 111 -5.704 -3.542 -5.566 1.00 0.00 C ATOM 0 H PHE A 111 -1.763 -5.123 -2.714 1.00 0.00 H new ATOM 0 HA PHE A 111 -1.148 -4.892 -5.578 1.00 0.00 H new ATOM 0 HB2 PHE A 111 -1.563 -3.000 -3.218 1.00 0.00 H new ATOM 0 HB3 PHE A 111 -1.115 -2.382 -4.795 1.00 0.00 H new ATOM 0 HD1 PHE A 111 -2.605 -2.857 -6.795 1.00 0.00 H new ATOM 0 HD2 PHE A 111 -3.776 -3.822 -2.778 1.00 0.00 H new ATOM 0 HE1 PHE A 111 -4.968 -3.045 -7.527 1.00 0.00 H new ATOM 0 HE2 PHE A 111 -6.137 -4.013 -3.510 1.00 0.00 H new ATOM 0 HZ PHE A 111 -6.732 -3.625 -5.885 1.00 0.00 H new ATOM 1753 N ALA A 112 1.285 -3.750 -5.566 1.00 0.00 N ATOM 1754 CA ALA A 112 2.766 -3.608 -5.469 1.00 0.00 C ATOM 1755 C ALA A 112 3.196 -2.139 -5.626 1.00 0.00 C ATOM 1756 O ALA A 112 2.533 -1.360 -6.277 1.00 0.00 O ATOM 1757 CB ALA A 112 3.326 -4.442 -6.619 1.00 0.00 C ATOM 0 H ALA A 112 0.849 -3.397 -6.418 1.00 0.00 H new ATOM 0 HA ALA A 112 3.133 -3.939 -4.497 1.00 0.00 H new ATOM 0 HB1 ALA A 112 4.415 -4.386 -6.613 1.00 0.00 H new ATOM 0 HB2 ALA A 112 3.015 -5.480 -6.501 1.00 0.00 H new ATOM 0 HB3 ALA A 112 2.949 -4.056 -7.566 1.00 0.00 H new ATOM 1763 N LEU A 113 4.326 -1.751 -5.049 1.00 0.00 N ATOM 1764 CA LEU A 113 4.760 -0.341 -5.221 1.00 0.00 C ATOM 1765 C LEU A 113 5.100 -0.187 -6.712 1.00 0.00 C ATOM 1766 O LEU A 113 5.418 -1.160 -7.366 1.00 0.00 O ATOM 1767 CB LEU A 113 5.979 -0.107 -4.280 1.00 0.00 C ATOM 1768 CG LEU A 113 7.196 0.451 -5.045 1.00 0.00 C ATOM 1769 CD1 LEU A 113 7.081 1.973 -5.183 1.00 0.00 C ATOM 1770 CD2 LEU A 113 8.473 0.134 -4.269 1.00 0.00 C ATOM 0 H LEU A 113 4.939 -2.341 -4.486 1.00 0.00 H new ATOM 0 HA LEU A 113 4.006 0.400 -4.956 1.00 0.00 H new ATOM 0 HB2 LEU A 113 5.698 0.587 -3.488 1.00 0.00 H new ATOM 0 HB3 LEU A 113 6.252 -1.046 -3.799 1.00 0.00 H new ATOM 0 HG LEU A 113 7.227 -0.007 -6.034 1.00 0.00 H new ATOM 0 HD11 LEU A 113 7.946 2.356 -5.725 1.00 0.00 H new ATOM 0 HD12 LEU A 113 6.171 2.221 -5.730 1.00 0.00 H new ATOM 0 HD13 LEU A 113 7.044 2.426 -4.192 1.00 0.00 H new ATOM 0 HD21 LEU A 113 9.334 0.528 -4.809 1.00 0.00 H new ATOM 0 HD22 LEU A 113 8.422 0.593 -3.282 1.00 0.00 H new ATOM 0 HD23 LEU A 113 8.575 -0.946 -4.162 1.00 0.00 H new ATOM 1782 N LEU A 114 5.015 0.978 -7.279 1.00 0.00 N ATOM 1783 CA LEU A 114 5.319 1.075 -8.745 1.00 0.00 C ATOM 1784 C LEU A 114 6.304 2.215 -9.065 1.00 0.00 C ATOM 1785 O LEU A 114 7.370 1.973 -9.594 1.00 0.00 O ATOM 1786 CB LEU A 114 3.959 1.275 -9.424 1.00 0.00 C ATOM 1787 CG LEU A 114 4.124 1.062 -10.947 1.00 0.00 C ATOM 1788 CD1 LEU A 114 4.169 -0.439 -11.244 1.00 0.00 C ATOM 1789 CD2 LEU A 114 2.932 1.680 -11.680 1.00 0.00 C ATOM 0 H LEU A 114 4.757 1.849 -6.816 1.00 0.00 H new ATOM 0 HA LEU A 114 5.820 0.178 -9.108 1.00 0.00 H new ATOM 0 HB2 LEU A 114 3.230 0.572 -9.022 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.581 2.277 -9.222 1.00 0.00 H new ATOM 0 HG LEU A 114 5.047 1.535 -11.283 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.285 -0.594 -12.317 1.00 0.00 H new ATOM 0 HD12 LEU A 114 5.012 -0.889 -10.719 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.242 -0.904 -10.908 1.00 0.00 H new ATOM 0 HD21 LEU A 114 3.048 1.530 -12.753 1.00 0.00 H new ATOM 0 HD22 LEU A 114 2.011 1.203 -11.344 1.00 0.00 H new ATOM 0 HD23 LEU A 114 2.887 2.748 -11.465 1.00 0.00 H new ATOM 1801 N LYS A 115 5.986 3.443 -8.750 1.00 0.00 N ATOM 1802 CA LYS A 115 6.971 4.549 -9.054 1.00 0.00 C ATOM 1803 C LYS A 115 7.475 5.150 -7.716 1.00 0.00 C ATOM 1804 O LYS A 115 6.694 5.326 -6.797 1.00 0.00 O ATOM 1805 CB LYS A 115 6.196 5.611 -9.917 1.00 0.00 C ATOM 1806 CG LYS A 115 6.124 6.967 -9.196 1.00 0.00 C ATOM 1807 CD LYS A 115 5.477 8.002 -10.121 1.00 0.00 C ATOM 1808 CE LYS A 115 6.567 8.779 -10.867 1.00 0.00 C ATOM 1809 NZ LYS A 115 6.021 8.986 -12.239 1.00 0.00 N ATOM 0 H LYS A 115 5.114 3.734 -8.307 1.00 0.00 H new ATOM 0 HA LYS A 115 7.844 4.196 -9.603 1.00 0.00 H new ATOM 0 HB2 LYS A 115 6.693 5.734 -10.880 1.00 0.00 H new ATOM 0 HB3 LYS A 115 5.188 5.251 -10.122 1.00 0.00 H new ATOM 0 HG2 LYS A 115 5.545 6.872 -8.277 1.00 0.00 H new ATOM 0 HG3 LYS A 115 7.124 7.293 -8.911 1.00 0.00 H new ATOM 0 HD2 LYS A 115 4.818 7.506 -10.833 1.00 0.00 H new ATOM 0 HD3 LYS A 115 4.860 8.688 -9.540 1.00 0.00 H new ATOM 0 HE2 LYS A 115 6.779 9.730 -10.378 1.00 0.00 H new ATOM 0 HE3 LYS A 115 7.502 8.220 -10.894 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 6.711 9.512 -12.812 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 5.836 8.063 -12.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 5.135 9.527 -12.182 1.00 0.00 H new ATOM 1823 N VAL A 116 8.751 5.478 -7.585 1.00 0.00 N ATOM 1824 CA VAL A 116 9.219 6.065 -6.269 1.00 0.00 C ATOM 1825 C VAL A 116 9.156 7.609 -6.287 1.00 0.00 C ATOM 1826 O VAL A 116 9.684 8.253 -7.172 1.00 0.00 O ATOM 1827 CB VAL A 116 10.686 5.587 -5.997 1.00 0.00 C ATOM 1828 CG1 VAL A 116 11.324 6.466 -4.922 1.00 0.00 C ATOM 1829 CG2 VAL A 116 10.670 4.139 -5.476 1.00 0.00 C ATOM 0 H VAL A 116 9.467 5.371 -8.304 1.00 0.00 H new ATOM 0 HA VAL A 116 8.559 5.720 -5.474 1.00 0.00 H new ATOM 0 HB VAL A 116 11.252 5.652 -6.926 1.00 0.00 H new ATOM 0 HG11 VAL A 116 12.344 6.130 -4.736 1.00 0.00 H new ATOM 0 HG12 VAL A 116 11.339 7.502 -5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 116 10.744 6.394 -4.002 1.00 0.00 H new ATOM 0 HG21 VAL A 116 11.692 3.809 -5.288 1.00 0.00 H new ATOM 0 HG22 VAL A 116 10.097 4.092 -4.550 1.00 0.00 H new ATOM 0 HG23 VAL A 116 10.210 3.489 -6.221 1.00 0.00 H new ATOM 1839 N ASN A 117 8.534 8.197 -5.293 1.00 0.00 N ATOM 1840 CA ASN A 117 8.450 9.700 -5.212 1.00 0.00 C ATOM 1841 C ASN A 117 9.378 10.217 -4.106 1.00 0.00 C ATOM 1842 O ASN A 117 10.018 11.238 -4.257 1.00 0.00 O ATOM 1843 CB ASN A 117 6.999 10.055 -4.815 1.00 0.00 C ATOM 1844 CG ASN A 117 5.991 9.314 -5.706 1.00 0.00 C ATOM 1845 OD1 ASN A 117 6.372 8.632 -6.636 1.00 0.00 O ATOM 1846 ND2 ASN A 117 4.707 9.425 -5.454 1.00 0.00 N ATOM 0 H ASN A 117 8.077 7.702 -4.527 1.00 0.00 H new ATOM 0 HA ASN A 117 8.737 10.144 -6.165 1.00 0.00 H new ATOM 0 HB2 ASN A 117 6.829 9.793 -3.771 1.00 0.00 H new ATOM 0 HB3 ASN A 117 6.846 11.131 -4.903 1.00 0.00 H new ATOM 0 HD21 ASN A 117 4.028 8.938 -6.040 1.00 0.00 H new ATOM 0 HD22 ASN A 117 4.388 9.998 -4.673 1.00 0.00 H new ATOM 1853 N GLU A 118 9.471 9.527 -3.001 1.00 0.00 N ATOM 1854 CA GLU A 118 10.373 10.003 -1.918 1.00 0.00 C ATOM 1855 C GLU A 118 11.034 8.801 -1.225 1.00 0.00 C ATOM 1856 O GLU A 118 10.517 7.687 -1.269 1.00 0.00 O ATOM 1857 CB GLU A 118 9.475 10.761 -0.941 1.00 0.00 C ATOM 1858 CG GLU A 118 10.113 12.112 -0.604 1.00 0.00 C ATOM 1859 CD GLU A 118 9.225 12.863 0.390 1.00 0.00 C ATOM 1860 OE1 GLU A 118 8.353 12.235 0.969 1.00 0.00 O ATOM 1861 OE2 GLU A 118 9.430 14.054 0.554 1.00 0.00 O ATOM 0 H GLU A 118 8.966 8.663 -2.804 1.00 0.00 H new ATOM 0 HA GLU A 118 11.173 10.638 -2.298 1.00 0.00 H new ATOM 0 HB2 GLU A 118 8.489 10.912 -1.379 1.00 0.00 H new ATOM 0 HB3 GLU A 118 9.334 10.177 -0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 118 11.106 11.961 -0.179 1.00 0.00 H new ATOM 0 HG3 GLU A 118 10.241 12.702 -1.511 1.00 0.00 H new ATOM 1868 N VAL A 119 12.170 9.030 -0.588 1.00 0.00 N ATOM 1869 CA VAL A 119 12.917 7.924 0.095 1.00 0.00 C ATOM 1870 C VAL A 119 13.891 8.501 1.159 1.00 0.00 C ATOM 1871 O VAL A 119 14.655 9.399 0.865 1.00 0.00 O ATOM 1872 CB VAL A 119 13.753 7.258 -1.018 1.00 0.00 C ATOM 1873 CG1 VAL A 119 14.381 5.964 -0.490 1.00 0.00 C ATOM 1874 CG2 VAL A 119 12.876 6.929 -2.229 1.00 0.00 C ATOM 0 H VAL A 119 12.610 9.947 -0.515 1.00 0.00 H new ATOM 0 HA VAL A 119 12.236 7.236 0.595 1.00 0.00 H new ATOM 0 HB VAL A 119 14.534 7.954 -1.323 1.00 0.00 H new ATOM 0 HG11 VAL A 119 14.970 5.497 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 119 15.027 6.193 0.358 1.00 0.00 H new ATOM 0 HG13 VAL A 119 13.593 5.280 -0.173 1.00 0.00 H new ATOM 0 HG21 VAL A 119 13.485 6.460 -3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 119 12.082 6.246 -1.928 1.00 0.00 H new ATOM 0 HG23 VAL A 119 12.436 7.847 -2.620 1.00 0.00 H new ATOM 1884 N ASN A 120 13.898 7.990 2.383 1.00 0.00 N ATOM 1885 CA ASN A 120 14.870 8.540 3.415 1.00 0.00 C ATOM 1886 C ASN A 120 14.843 10.079 3.451 1.00 0.00 C ATOM 1887 O ASN A 120 15.881 10.712 3.442 1.00 0.00 O ATOM 1888 CB ASN A 120 16.252 8.082 2.918 1.00 0.00 C ATOM 1889 CG ASN A 120 16.848 7.054 3.887 1.00 0.00 C ATOM 1890 OD1 ASN A 120 17.457 6.091 3.465 1.00 0.00 O ATOM 1891 ND2 ASN A 120 16.698 7.216 5.176 1.00 0.00 N ATOM 0 H ASN A 120 13.292 7.237 2.708 1.00 0.00 H new ATOM 0 HA ASN A 120 14.622 8.191 4.418 1.00 0.00 H new ATOM 0 HB2 ASN A 120 16.163 7.646 1.923 1.00 0.00 H new ATOM 0 HB3 ASN A 120 16.918 8.940 2.831 1.00 0.00 H new ATOM 0 HD21 ASN A 120 17.092 6.535 5.825 1.00 0.00 H new ATOM 0 HD22 ASN A 120 16.187 8.024 5.532 1.00 0.00 H new