USER MOD reduce.3.24.130724 H: found=0, std=0, add=1125, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 1125 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 112 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 143 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 114 ASN : amide:sc= 0.85 K(o=0.85,f=-0.78) USER MOD Set 2.2: A 117 MET CE :methyl -149:sc= 0 (180deg=-0.277) USER MOD Set 3.1: A 64 GLN : amide:sc= 0.999 K(o=2.1,f=0.54) USER MOD Set 3.2: A 67 ASN : amide:sc=-0.00823 K(o=2.1,f=0.44) USER MOD Set 3.3: A 69 HIS : no HD1:sc= 1.15 K(o=2.1,f=-8.5!) USER MOD Set 4.1: A 31 GLN : amide:sc= 1.04 K(o=2.1,f=-0.19) USER MOD Set 4.2: A 35 ASN : amide:sc= 1.1 K(o=2.1,f=0.87) USER MOD Single : A 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00142) USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 167:sc= -0.0136 (180deg=-0.201) USER MOD Single : A 7 GLN : amide:sc= 0.81 K(o=0.81,f=0) USER MOD Single : A 8 MET CE :methyl -118:sc=-0.00586 (180deg=-0.12) USER MOD Single : A 9 THR OG1 : rot -35:sc= 1.29 USER MOD Single : A 11 ASN : amide:sc= 0.126 X(o=0.13,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= 0.659 K(o=0.66,f=0) USER MOD Single : A 24 ASN : amide:sc= -0.0792 X(o=-0.079,f=-0.0068) USER MOD Single : A 30 MET CE :methyl -173:sc= 0 (180deg=-0.119) USER MOD Single : A 38 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00216) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.594 X(o=-0.59,f=-0.12) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.198 K(o=-0.2,f=-0.72) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -173:sc= 0.629 (180deg=0.597) USER MOD Single : A 66 MET CE :methyl 165:sc= -0.022 (180deg=-0.334) USER MOD Single : A 70 HIS : no HE2:sc= -2.96! C(o=-3!,f=-5.1!) USER MOD Single : A 72 LYS NZ :NH3+ -171:sc=-0.00344 (180deg=-0.0972) USER MOD Single : A 74 MET CE :methyl -167:sc=-0.00982 (180deg=-0.263) USER MOD Single : A 78 MET CE :methyl -119:sc= -0.133 (180deg=-0.184) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.205 K(o=-0.2,f=-6.2!) USER MOD Single : A 86 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 GLN : amide:sc= -0.123 X(o=-0.12,f=0) USER MOD Single : A 94 LYS NZ :NH3+ -159:sc= 0.788 (180deg=0.514) USER MOD Single : A 95 HIS : no HD1:sc= 0.262 K(o=2,f=-7.9!) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 110 GLN : amide:sc= -0.982 K(o=-0.98,f=0) USER MOD Single : A 111 THR OG1 : rot 160:sc= 0.145 USER MOD Single : A 120 LYS NZ :NH3+ 179:sc= 1.11 (180deg=1.11) USER MOD Single : A 124 HIS : no HE2:sc= 0.79 K(o=0.79,f=-2.4!) USER MOD Single : A 125 LYS NZ :NH3+ -164:sc= 0.559 (180deg=0.415) USER MOD Single : A 131 THR OG1 : rot 180:sc= -0.0665 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -0.269 -28.867 5.213 1.00 72.50 N ATOM 2 CA SER A 1 0.750 -28.394 4.195 1.00 14.54 C ATOM 3 C SER A 1 0.781 -26.910 3.875 1.00 22.10 C ATOM 4 O SER A 1 1.849 -26.329 3.707 1.00 53.42 O ATOM 5 CB SER A 1 0.566 -29.164 2.842 1.00 54.42 C ATOM 6 OG SER A 1 -0.708 -28.959 2.219 1.00 71.35 O ATOM 0 H1 SER A 1 -0.183 -29.896 5.338 1.00 72.50 H new ATOM 0 H2 SER A 1 -0.097 -28.393 6.122 1.00 72.50 H new ATOM 0 H3 SER A 1 -1.227 -28.637 4.878 1.00 72.50 H new ATOM 0 HA SER A 1 1.697 -28.608 4.690 1.00 14.54 H new ATOM 0 HB2 SER A 1 1.350 -28.854 2.151 1.00 54.42 H new ATOM 0 HB3 SER A 1 0.703 -30.230 3.022 1.00 54.42 H new ATOM 0 HG SER A 1 -0.749 -29.467 1.382 1.00 71.35 H new ATOM 14 N LYS A 2 -0.394 -26.258 3.767 1.00 13.13 N ATOM 15 CA LYS A 2 -0.542 -24.905 3.272 1.00 74.13 C ATOM 16 C LYS A 2 -0.044 -23.879 4.266 1.00 24.30 C ATOM 17 O LYS A 2 0.687 -22.951 3.929 1.00 20.14 O ATOM 18 CB LYS A 2 -2.021 -24.608 2.939 1.00 12.50 C ATOM 19 CG LYS A 2 -2.550 -25.434 1.755 1.00 51.33 C ATOM 20 CD LYS A 2 -4.030 -25.133 1.465 1.00 4.35 C ATOM 21 CE LYS A 2 -4.584 -25.824 0.216 1.00 41.34 C ATOM 22 NZ LYS A 2 -4.590 -27.288 0.401 1.00 20.14 N ATOM 0 H LYS A 2 -1.282 -26.684 4.033 1.00 13.13 H new ATOM 0 HA LYS A 2 0.064 -24.832 2.369 1.00 74.13 H new ATOM 0 HB2 LYS A 2 -2.633 -24.811 3.818 1.00 12.50 H new ATOM 0 HB3 LYS A 2 -2.130 -23.547 2.712 1.00 12.50 H new ATOM 0 HG2 LYS A 2 -1.955 -25.220 0.867 1.00 51.33 H new ATOM 0 HG3 LYS A 2 -2.430 -26.496 1.970 1.00 51.33 H new ATOM 0 HD2 LYS A 2 -4.625 -25.436 2.327 1.00 4.35 H new ATOM 0 HD3 LYS A 2 -4.154 -24.056 1.354 1.00 4.35 H new ATOM 0 HE2 LYS A 2 -5.596 -25.472 0.016 1.00 41.34 H new ATOM 0 HE3 LYS A 2 -3.978 -25.563 -0.652 1.00 41.34 H new ATOM 0 HZ1 LYS A 2 -4.984 -27.743 -0.447 1.00 20.14 H new ATOM 0 HZ2 LYS A 2 -3.617 -27.623 0.554 1.00 20.14 H new ATOM 0 HZ3 LYS A 2 -5.173 -27.531 1.227 1.00 20.14 H new ATOM 36 N GLU A 3 -0.402 -24.068 5.559 1.00 33.44 N ATOM 37 CA GLU A 3 -0.133 -23.126 6.636 1.00 30.33 C ATOM 38 C GLU A 3 1.296 -23.090 7.095 1.00 62.30 C ATOM 39 O GLU A 3 1.715 -22.261 7.898 1.00 11.55 O ATOM 40 CB GLU A 3 -1.082 -23.351 7.849 1.00 31.02 C ATOM 41 CG GLU A 3 -0.865 -24.679 8.620 1.00 3.12 C ATOM 42 CD GLU A 3 -1.880 -24.851 9.753 1.00 75.02 C ATOM 43 OE1 GLU A 3 -3.089 -24.997 9.434 1.00 4.55 O ATOM 44 OE2 GLU A 3 -1.450 -24.854 10.935 1.00 45.30 O ATOM 0 H GLU A 3 -0.896 -24.903 5.874 1.00 33.44 H new ATOM 0 HA GLU A 3 -0.333 -22.149 6.196 1.00 30.33 H new ATOM 0 HB2 GLU A 3 -0.959 -22.521 8.545 1.00 31.02 H new ATOM 0 HB3 GLU A 3 -2.112 -23.320 7.495 1.00 31.02 H new ATOM 0 HG2 GLU A 3 -0.946 -25.518 7.929 1.00 3.12 H new ATOM 0 HG3 GLU A 3 0.145 -24.700 9.030 1.00 3.12 H new ATOM 51 N VAL A 4 2.059 -24.024 6.538 1.00 62.40 N ATOM 52 CA VAL A 4 3.515 -24.096 6.619 1.00 54.13 C ATOM 53 C VAL A 4 4.152 -22.944 5.864 1.00 74.11 C ATOM 54 O VAL A 4 5.122 -22.331 6.313 1.00 2.03 O ATOM 55 CB VAL A 4 4.092 -25.375 6.015 1.00 22.20 C ATOM 56 CG1 VAL A 4 5.640 -25.405 6.034 1.00 64.42 C ATOM 57 CG2 VAL A 4 3.541 -26.617 6.722 1.00 33.41 C ATOM 0 H VAL A 4 1.661 -24.788 5.992 1.00 62.40 H new ATOM 0 HA VAL A 4 3.740 -24.064 7.685 1.00 54.13 H new ATOM 0 HB VAL A 4 3.777 -25.383 4.972 1.00 22.20 H new ATOM 0 HG11 VAL A 4 5.991 -26.337 5.592 1.00 64.42 H new ATOM 0 HG12 VAL A 4 6.027 -24.563 5.460 1.00 64.42 H new ATOM 0 HG13 VAL A 4 5.993 -25.336 7.063 1.00 64.42 H new ATOM 0 HG21 VAL A 4 3.969 -27.512 6.271 1.00 33.41 H new ATOM 0 HG22 VAL A 4 3.805 -26.581 7.779 1.00 33.41 H new ATOM 0 HG23 VAL A 4 2.456 -26.643 6.620 1.00 33.41 H new ATOM 67 N MET A 5 3.640 -22.709 4.630 1.00 54.21 N ATOM 68 CA MET A 5 4.420 -22.213 3.523 1.00 10.21 C ATOM 69 C MET A 5 4.885 -20.786 3.701 1.00 34.53 C ATOM 70 O MET A 5 6.029 -20.445 3.404 1.00 2.40 O ATOM 71 CB MET A 5 3.637 -22.330 2.190 1.00 61.31 C ATOM 72 CG MET A 5 3.400 -23.789 1.753 1.00 1.51 C ATOM 73 SD MET A 5 2.467 -23.940 0.200 1.00 3.34 S ATOM 74 CE MET A 5 2.553 -25.753 0.151 1.00 4.11 C ATOM 0 H MET A 5 2.660 -22.868 4.397 1.00 54.21 H new ATOM 0 HA MET A 5 5.308 -22.844 3.492 1.00 10.21 H new ATOM 0 HB2 MET A 5 2.675 -21.828 2.295 1.00 61.31 H new ATOM 0 HB3 MET A 5 4.185 -21.807 1.407 1.00 61.31 H new ATOM 0 HG2 MET A 5 4.363 -24.286 1.639 1.00 1.51 H new ATOM 0 HG3 MET A 5 2.862 -24.313 2.543 1.00 1.51 H new ATOM 0 HE1 MET A 5 2.037 -26.118 -0.737 1.00 4.11 H new ATOM 0 HE2 MET A 5 3.596 -26.067 0.119 1.00 4.11 H new ATOM 0 HE3 MET A 5 2.077 -26.164 1.041 1.00 4.11 H new ATOM 84 N LYS A 6 3.981 -19.917 4.199 1.00 24.25 N ATOM 85 CA LYS A 6 4.277 -18.524 4.424 1.00 1.25 C ATOM 86 C LYS A 6 4.442 -18.336 5.917 1.00 54.32 C ATOM 87 O LYS A 6 3.528 -18.597 6.698 1.00 70.11 O ATOM 88 CB LYS A 6 3.145 -17.637 3.837 1.00 73.42 C ATOM 89 CG LYS A 6 3.346 -16.106 3.871 1.00 32.25 C ATOM 90 CD LYS A 6 3.045 -15.409 5.212 1.00 41.33 C ATOM 91 CE LYS A 6 3.086 -13.878 5.143 1.00 1.14 C ATOM 92 NZ LYS A 6 2.003 -13.363 4.279 1.00 33.33 N ATOM 0 H LYS A 6 3.029 -20.182 4.451 1.00 24.25 H new ATOM 0 HA LYS A 6 5.195 -18.222 3.921 1.00 1.25 H new ATOM 0 HB2 LYS A 6 2.990 -17.933 2.799 1.00 73.42 H new ATOM 0 HB3 LYS A 6 2.225 -17.867 4.374 1.00 73.42 H new ATOM 0 HG2 LYS A 6 4.379 -15.890 3.597 1.00 32.25 H new ATOM 0 HG3 LYS A 6 2.713 -15.660 3.104 1.00 32.25 H new ATOM 0 HD2 LYS A 6 2.059 -15.720 5.558 1.00 41.33 H new ATOM 0 HD3 LYS A 6 3.766 -15.748 5.956 1.00 41.33 H new ATOM 0 HE2 LYS A 6 2.987 -13.461 6.145 1.00 1.14 H new ATOM 0 HE3 LYS A 6 4.052 -13.552 4.756 1.00 1.14 H new ATOM 0 HZ1 LYS A 6 1.907 -12.337 4.417 1.00 33.33 H new ATOM 0 HZ2 LYS A 6 2.230 -13.559 3.283 1.00 33.33 H new ATOM 0 HZ3 LYS A 6 1.108 -13.830 4.528 1.00 33.33 H new ATOM 106 N GLN A 7 5.642 -17.890 6.343 1.00 24.23 N ATOM 107 CA GLN A 7 5.967 -17.756 7.752 1.00 1.45 C ATOM 108 C GLN A 7 6.934 -16.620 8.047 1.00 4.10 C ATOM 109 O GLN A 7 6.891 -16.030 9.123 1.00 75.50 O ATOM 110 CB GLN A 7 6.516 -19.099 8.318 1.00 63.43 C ATOM 111 CG GLN A 7 7.818 -19.617 7.662 1.00 34.41 C ATOM 112 CD GLN A 7 8.248 -20.964 8.255 1.00 1.34 C ATOM 113 OE1 GLN A 7 9.245 -21.043 8.975 1.00 35.42 O ATOM 114 NE2 GLN A 7 7.495 -22.049 7.937 1.00 1.54 N ATOM 0 H GLN A 7 6.398 -17.618 5.714 1.00 24.23 H new ATOM 0 HA GLN A 7 5.034 -17.503 8.256 1.00 1.45 H new ATOM 0 HB2 GLN A 7 6.692 -18.977 9.387 1.00 63.43 H new ATOM 0 HB3 GLN A 7 5.745 -19.862 8.207 1.00 63.43 H new ATOM 0 HG2 GLN A 7 7.668 -19.722 6.587 1.00 34.41 H new ATOM 0 HG3 GLN A 7 8.614 -18.886 7.803 1.00 34.41 H new ATOM 0 HE21 GLN A 7 6.676 -21.944 7.338 1.00 1.54 H new ATOM 0 HE22 GLN A 7 7.748 -22.969 8.297 1.00 1.54 H new ATOM 123 N MET A 8 7.836 -16.256 7.106 1.00 54.14 N ATOM 124 CA MET A 8 8.762 -15.154 7.281 1.00 22.12 C ATOM 125 C MET A 8 8.105 -13.803 7.024 1.00 24.45 C ATOM 126 O MET A 8 7.167 -13.691 6.239 1.00 0.33 O ATOM 127 CB MET A 8 9.999 -15.307 6.358 1.00 21.14 C ATOM 128 CG MET A 8 10.858 -16.542 6.700 1.00 4.44 C ATOM 129 SD MET A 8 12.331 -16.745 5.651 1.00 22.53 S ATOM 130 CE MET A 8 11.474 -17.359 4.171 1.00 33.30 C ATOM 0 H MET A 8 7.928 -16.731 6.208 1.00 54.14 H new ATOM 0 HA MET A 8 9.082 -15.187 8.322 1.00 22.12 H new ATOM 0 HB2 MET A 8 9.666 -15.378 5.323 1.00 21.14 H new ATOM 0 HB3 MET A 8 10.615 -14.411 6.434 1.00 21.14 H new ATOM 0 HG2 MET A 8 11.175 -16.473 7.741 1.00 4.44 H new ATOM 0 HG3 MET A 8 10.239 -17.435 6.614 1.00 4.44 H new ATOM 0 HE1 MET A 8 11.820 -18.367 3.942 1.00 33.30 H new ATOM 0 HE2 MET A 8 10.400 -17.377 4.354 1.00 33.30 H new ATOM 0 HE3 MET A 8 11.688 -16.702 3.328 1.00 33.30 H new ATOM 140 N THR A 9 8.608 -12.741 7.705 1.00 71.52 N ATOM 141 CA THR A 9 8.250 -11.320 7.567 1.00 34.55 C ATOM 142 C THR A 9 6.920 -10.892 8.169 1.00 2.11 C ATOM 143 O THR A 9 6.652 -9.696 8.278 1.00 14.22 O ATOM 144 CB THR A 9 8.346 -10.741 6.136 1.00 31.13 C ATOM 145 OG1 THR A 9 7.317 -11.195 5.265 1.00 73.25 O ATOM 146 CG2 THR A 9 9.710 -11.072 5.502 1.00 23.04 C ATOM 0 H THR A 9 9.327 -12.874 8.416 1.00 71.52 H new ATOM 0 HA THR A 9 9.044 -10.888 8.175 1.00 34.55 H new ATOM 0 HB THR A 9 8.227 -9.664 6.253 1.00 31.13 H new ATOM 0 HG1 THR A 9 7.095 -12.126 5.478 1.00 73.25 H new ATOM 0 HG21 THR A 9 9.754 -10.655 4.496 1.00 23.04 H new ATOM 0 HG22 THR A 9 10.507 -10.642 6.109 1.00 23.04 H new ATOM 0 HG23 THR A 9 9.835 -12.154 5.452 1.00 23.04 H new ATOM 154 N ILE A 10 6.066 -11.841 8.610 1.00 3.24 N ATOM 155 CA ILE A 10 4.755 -11.555 9.170 1.00 5.50 C ATOM 156 C ILE A 10 4.837 -10.908 10.556 1.00 50.31 C ATOM 157 O ILE A 10 5.558 -11.356 11.446 1.00 4.41 O ATOM 158 CB ILE A 10 3.898 -12.824 9.153 1.00 43.40 C ATOM 159 CG1 ILE A 10 2.411 -12.555 9.472 1.00 70.25 C ATOM 160 CG2 ILE A 10 4.498 -13.911 10.075 1.00 70.45 C ATOM 161 CD1 ILE A 10 1.517 -13.751 9.119 1.00 3.31 C ATOM 0 H ILE A 10 6.284 -12.837 8.580 1.00 3.24 H new ATOM 0 HA ILE A 10 4.266 -10.810 8.542 1.00 5.50 H new ATOM 0 HB ILE A 10 3.917 -13.201 8.130 1.00 43.40 H new ATOM 0 HG12 ILE A 10 2.305 -12.324 10.532 1.00 70.25 H new ATOM 0 HG13 ILE A 10 2.076 -11.677 8.920 1.00 70.25 H new ATOM 0 HG21 ILE A 10 3.870 -14.801 10.044 1.00 70.45 H new ATOM 0 HG22 ILE A 10 5.502 -14.163 9.734 1.00 70.45 H new ATOM 0 HG23 ILE A 10 4.545 -13.535 11.097 1.00 70.45 H new ATOM 0 HD11 ILE A 10 0.481 -13.515 9.361 1.00 3.31 H new ATOM 0 HD12 ILE A 10 1.601 -13.966 8.054 1.00 3.31 H new ATOM 0 HD13 ILE A 10 1.833 -14.623 9.691 1.00 3.31 H new ATOM 173 N ASN A 11 4.111 -9.784 10.753 1.00 33.12 N ATOM 174 CA ASN A 11 4.166 -8.972 11.954 1.00 51.01 C ATOM 175 C ASN A 11 2.817 -8.314 12.176 1.00 12.52 C ATOM 176 O ASN A 11 2.007 -8.213 11.257 1.00 75.31 O ATOM 177 CB ASN A 11 5.247 -7.851 11.872 1.00 5.03 C ATOM 178 CG ASN A 11 6.666 -8.404 12.026 1.00 42.54 C ATOM 179 OD1 ASN A 11 7.096 -8.649 13.156 1.00 4.25 O ATOM 180 ND2 ASN A 11 7.413 -8.580 10.908 1.00 71.13 N ATOM 0 H ASN A 11 3.461 -9.422 10.055 1.00 33.12 H new ATOM 0 HA ASN A 11 4.428 -9.637 12.777 1.00 51.01 H new ATOM 0 HB2 ASN A 11 5.162 -7.335 10.915 1.00 5.03 H new ATOM 0 HB3 ASN A 11 5.061 -7.111 12.651 1.00 5.03 H new ATOM 0 HD21 ASN A 11 8.369 -8.927 10.983 1.00 71.13 H new ATOM 0 HD22 ASN A 11 7.019 -8.365 9.992 1.00 71.13 H new ATOM 187 N PHE A 12 2.589 -7.777 13.406 1.00 13.43 N ATOM 188 CA PHE A 12 1.457 -6.932 13.787 1.00 4.23 C ATOM 189 C PHE A 12 1.446 -5.654 12.950 1.00 51.50 C ATOM 190 O PHE A 12 0.401 -5.106 12.608 1.00 20.11 O ATOM 191 CB PHE A 12 1.492 -6.594 15.310 1.00 31.22 C ATOM 192 CG PHE A 12 0.277 -5.801 15.748 1.00 1.44 C ATOM 193 CD1 PHE A 12 -0.942 -6.458 15.986 1.00 1.02 C ATOM 194 CD2 PHE A 12 0.327 -4.400 15.876 1.00 64.35 C ATOM 195 CE1 PHE A 12 -2.091 -5.735 16.333 1.00 74.23 C ATOM 196 CE2 PHE A 12 -0.820 -3.672 16.219 1.00 53.12 C ATOM 197 CZ PHE A 12 -2.030 -4.340 16.448 1.00 3.24 C ATOM 0 H PHE A 12 3.228 -7.938 14.185 1.00 13.43 H new ATOM 0 HA PHE A 12 0.539 -7.486 13.592 1.00 4.23 H new ATOM 0 HB2 PHE A 12 1.547 -7.519 15.885 1.00 31.22 H new ATOM 0 HB3 PHE A 12 2.395 -6.026 15.534 1.00 31.22 H new ATOM 0 HD1 PHE A 12 -0.994 -7.533 15.900 1.00 1.02 H new ATOM 0 HD2 PHE A 12 1.259 -3.881 15.708 1.00 64.35 H new ATOM 0 HE1 PHE A 12 -3.022 -6.252 16.512 1.00 74.23 H new ATOM 0 HE2 PHE A 12 -0.771 -2.597 16.307 1.00 53.12 H new ATOM 0 HZ PHE A 12 -2.915 -3.780 16.713 1.00 3.24 H new ATOM 207 N ALA A 13 2.644 -5.153 12.594 1.00 54.13 N ATOM 208 CA ALA A 13 2.845 -4.019 11.728 1.00 33.23 C ATOM 209 C ALA A 13 2.262 -4.135 10.333 1.00 34.50 C ATOM 210 O ALA A 13 1.878 -3.119 9.759 1.00 12.43 O ATOM 211 CB ALA A 13 4.343 -3.720 11.614 1.00 12.35 C ATOM 0 H ALA A 13 3.521 -5.556 12.925 1.00 54.13 H new ATOM 0 HA ALA A 13 2.294 -3.208 12.205 1.00 33.23 H new ATOM 0 HB1 ALA A 13 4.494 -2.862 10.959 1.00 12.35 H new ATOM 0 HB2 ALA A 13 4.746 -3.497 12.602 1.00 12.35 H new ATOM 0 HB3 ALA A 13 4.857 -4.588 11.200 1.00 12.35 H new ATOM 217 N LYS A 14 2.172 -5.345 9.729 1.00 71.34 N ATOM 218 CA LYS A 14 1.694 -5.480 8.368 1.00 64.51 C ATOM 219 C LYS A 14 0.229 -5.092 8.180 1.00 63.13 C ATOM 220 O LYS A 14 -0.022 -4.310 7.260 1.00 51.34 O ATOM 221 CB LYS A 14 1.964 -6.908 7.820 1.00 22.43 C ATOM 222 CG LYS A 14 3.467 -7.265 7.757 1.00 44.05 C ATOM 223 CD LYS A 14 4.348 -6.291 6.944 1.00 13.20 C ATOM 224 CE LYS A 14 3.992 -6.139 5.461 1.00 24.43 C ATOM 225 NZ LYS A 14 4.267 -7.393 4.732 1.00 10.15 N ATOM 0 H LYS A 14 2.427 -6.226 10.176 1.00 71.34 H new ATOM 0 HA LYS A 14 2.267 -4.760 7.785 1.00 64.51 H new ATOM 0 HB2 LYS A 14 1.451 -7.634 8.450 1.00 22.43 H new ATOM 0 HB3 LYS A 14 1.535 -6.994 6.822 1.00 22.43 H new ATOM 0 HG2 LYS A 14 3.854 -7.314 8.775 1.00 44.05 H new ATOM 0 HG3 LYS A 14 3.568 -8.262 7.329 1.00 44.05 H new ATOM 0 HD2 LYS A 14 4.295 -5.308 7.412 1.00 13.20 H new ATOM 0 HD3 LYS A 14 5.384 -6.623 7.016 1.00 13.20 H new ATOM 0 HE2 LYS A 14 2.939 -5.875 5.359 1.00 24.43 H new ATOM 0 HE3 LYS A 14 4.569 -5.324 5.024 1.00 24.43 H new ATOM 0 HZ1 LYS A 14 4.020 -7.273 3.729 1.00 10.15 H new ATOM 0 HZ2 LYS A 14 5.277 -7.628 4.814 1.00 10.15 H new ATOM 0 HZ3 LYS A 14 3.698 -8.163 5.138 1.00 10.15 H new ATOM 239 N PRO A 15 -0.779 -5.489 8.974 1.00 31.44 N ATOM 240 CA PRO A 15 -2.077 -4.832 8.931 1.00 43.14 C ATOM 241 C PRO A 15 -2.049 -3.409 9.461 1.00 42.12 C ATOM 242 O PRO A 15 -2.878 -2.609 9.036 1.00 22.43 O ATOM 243 CB PRO A 15 -2.979 -5.728 9.786 1.00 61.41 C ATOM 244 CG PRO A 15 -2.044 -6.445 10.758 1.00 62.53 C ATOM 245 CD PRO A 15 -0.733 -6.562 9.975 1.00 33.21 C ATOM 0 HA PRO A 15 -2.429 -4.723 7.905 1.00 43.14 H new ATOM 0 HB2 PRO A 15 -3.723 -5.138 10.321 1.00 61.41 H new ATOM 0 HB3 PRO A 15 -3.523 -6.442 9.167 1.00 61.41 H new ATOM 0 HG2 PRO A 15 -1.912 -5.878 11.679 1.00 62.53 H new ATOM 0 HG3 PRO A 15 -2.432 -7.424 11.039 1.00 62.53 H new ATOM 0 HD2 PRO A 15 0.129 -6.449 10.633 1.00 33.21 H new ATOM 0 HD3 PRO A 15 -0.645 -7.539 9.500 1.00 33.21 H new ATOM 253 N MET A 16 -1.136 -3.053 10.394 1.00 5.25 N ATOM 254 CA MET A 16 -1.136 -1.741 11.016 1.00 53.21 C ATOM 255 C MET A 16 -0.734 -0.633 10.040 1.00 44.04 C ATOM 256 O MET A 16 -1.352 0.429 9.999 1.00 4.22 O ATOM 257 CB MET A 16 -0.213 -1.756 12.254 1.00 10.00 C ATOM 258 CG MET A 16 -0.307 -0.518 13.160 1.00 43.54 C ATOM 259 SD MET A 16 0.948 -0.534 14.475 1.00 75.11 S ATOM 260 CE MET A 16 0.335 0.936 15.340 1.00 51.12 C ATOM 0 H MET A 16 -0.394 -3.670 10.723 1.00 5.25 H new ATOM 0 HA MET A 16 -2.156 -1.517 11.329 1.00 53.21 H new ATOM 0 HB2 MET A 16 -0.445 -2.639 12.849 1.00 10.00 H new ATOM 0 HB3 MET A 16 0.818 -1.861 11.916 1.00 10.00 H new ATOM 0 HG2 MET A 16 -0.187 0.382 12.557 1.00 43.54 H new ATOM 0 HG3 MET A 16 -1.300 -0.472 13.608 1.00 43.54 H new ATOM 0 HE1 MET A 16 0.962 1.134 16.209 1.00 51.12 H new ATOM 0 HE2 MET A 16 0.366 1.793 14.667 1.00 51.12 H new ATOM 0 HE3 MET A 16 -0.692 0.766 15.664 1.00 51.12 H new ATOM 270 N GLU A 17 0.315 -0.868 9.207 1.00 54.31 N ATOM 271 CA GLU A 17 0.782 0.065 8.191 1.00 12.55 C ATOM 272 C GLU A 17 -0.181 0.167 7.028 1.00 13.00 C ATOM 273 O GLU A 17 -0.339 1.220 6.407 1.00 1.41 O ATOM 274 CB GLU A 17 2.203 -0.291 7.662 1.00 74.34 C ATOM 275 CG GLU A 17 2.339 -1.607 6.851 1.00 45.32 C ATOM 276 CD GLU A 17 3.790 -1.893 6.457 1.00 43.03 C ATOM 277 OE1 GLU A 17 4.080 -1.861 5.233 1.00 75.24 O ATOM 278 OE2 GLU A 17 4.612 -2.152 7.374 1.00 14.43 O ATOM 0 H GLU A 17 0.857 -1.731 9.238 1.00 54.31 H new ATOM 0 HA GLU A 17 0.836 1.034 8.687 1.00 12.55 H new ATOM 0 HB2 GLU A 17 2.548 0.531 7.035 1.00 74.34 H new ATOM 0 HB3 GLU A 17 2.879 -0.347 8.515 1.00 74.34 H new ATOM 0 HG2 GLU A 17 1.954 -2.438 7.442 1.00 45.32 H new ATOM 0 HG3 GLU A 17 1.726 -1.544 5.952 1.00 45.32 H new ATOM 285 N ALA A 18 -0.896 -0.939 6.725 1.00 70.31 N ATOM 286 CA ALA A 18 -1.969 -0.968 5.757 1.00 41.35 C ATOM 287 C ALA A 18 -3.107 -0.040 6.150 1.00 44.33 C ATOM 288 O ALA A 18 -3.578 0.755 5.346 1.00 11.43 O ATOM 289 CB ALA A 18 -2.496 -2.401 5.599 1.00 63.34 C ATOM 0 H ALA A 18 -0.726 -1.843 7.165 1.00 70.31 H new ATOM 0 HA ALA A 18 -1.566 -0.619 4.806 1.00 41.35 H new ATOM 0 HB1 ALA A 18 -3.304 -2.413 4.868 1.00 63.34 H new ATOM 0 HB2 ALA A 18 -1.689 -3.050 5.259 1.00 63.34 H new ATOM 0 HB3 ALA A 18 -2.869 -2.759 6.558 1.00 63.34 H new ATOM 295 N CYS A 19 -3.499 -0.048 7.436 1.00 72.23 N ATOM 296 CA CYS A 19 -4.495 0.836 8.016 1.00 42.24 C ATOM 297 C CYS A 19 -4.006 2.265 8.223 1.00 60.50 C ATOM 298 O CYS A 19 -4.738 3.105 8.732 1.00 31.41 O ATOM 299 CB CYS A 19 -4.941 0.295 9.385 1.00 64.51 C ATOM 300 SG CYS A 19 -5.799 -1.291 9.212 1.00 35.41 S ATOM 0 H CYS A 19 -3.109 -0.700 8.117 1.00 72.23 H new ATOM 0 HA CYS A 19 -5.315 0.862 7.299 1.00 42.24 H new ATOM 0 HB2 CYS A 19 -4.072 0.173 10.032 1.00 64.51 H new ATOM 0 HB3 CYS A 19 -5.599 1.017 9.868 1.00 64.51 H new ATOM 305 N LYS A 20 -2.752 2.609 7.877 1.00 31.15 N ATOM 306 CA LYS A 20 -2.387 4.008 7.738 1.00 71.43 C ATOM 307 C LYS A 20 -2.683 4.480 6.313 1.00 5.14 C ATOM 308 O LYS A 20 -3.336 5.499 6.089 1.00 24.31 O ATOM 309 CB LYS A 20 -0.895 4.176 8.136 1.00 55.43 C ATOM 310 CG LYS A 20 -0.362 5.620 8.202 1.00 74.00 C ATOM 311 CD LYS A 20 0.121 6.255 6.887 1.00 42.22 C ATOM 312 CE LYS A 20 1.483 5.738 6.428 1.00 51.42 C ATOM 313 NZ LYS A 20 1.872 6.403 5.169 1.00 62.04 N ATOM 0 H LYS A 20 -1.999 1.946 7.695 1.00 31.15 H new ATOM 0 HA LYS A 20 -2.979 4.636 8.404 1.00 71.43 H new ATOM 0 HB2 LYS A 20 -0.747 3.712 9.111 1.00 55.43 H new ATOM 0 HB3 LYS A 20 -0.287 3.619 7.423 1.00 55.43 H new ATOM 0 HG2 LYS A 20 -1.150 6.252 8.612 1.00 74.00 H new ATOM 0 HG3 LYS A 20 0.466 5.642 8.911 1.00 74.00 H new ATOM 0 HD2 LYS A 20 -0.615 6.061 6.107 1.00 42.22 H new ATOM 0 HD3 LYS A 20 0.175 7.336 7.013 1.00 42.22 H new ATOM 0 HE2 LYS A 20 2.232 5.928 7.197 1.00 51.42 H new ATOM 0 HE3 LYS A 20 1.442 4.659 6.282 1.00 51.42 H new ATOM 0 HZ1 LYS A 20 2.800 6.048 4.861 1.00 62.04 H new ATOM 0 HZ2 LYS A 20 1.163 6.200 4.436 1.00 62.04 H new ATOM 0 HZ3 LYS A 20 1.928 7.430 5.322 1.00 62.04 H new ATOM 327 N GLN A 21 -2.244 3.714 5.288 1.00 42.14 N ATOM 328 CA GLN A 21 -2.356 4.124 3.893 1.00 73.13 C ATOM 329 C GLN A 21 -3.730 3.921 3.288 1.00 71.13 C ATOM 330 O GLN A 21 -4.211 4.756 2.526 1.00 52.14 O ATOM 331 CB GLN A 21 -1.309 3.402 3.024 1.00 53.40 C ATOM 332 CG GLN A 21 -1.550 1.888 2.894 1.00 1.41 C ATOM 333 CD GLN A 21 -0.295 1.120 2.521 1.00 74.13 C ATOM 334 OE1 GLN A 21 0.008 0.834 1.362 1.00 23.32 O ATOM 335 NE2 GLN A 21 0.424 0.706 3.595 1.00 71.55 N ATOM 0 H GLN A 21 -1.806 2.802 5.417 1.00 42.14 H new ATOM 0 HA GLN A 21 -2.173 5.199 3.901 1.00 73.13 H new ATOM 0 HB2 GLN A 21 -1.306 3.847 2.029 1.00 53.40 H new ATOM 0 HB3 GLN A 21 -0.320 3.568 3.450 1.00 53.40 H new ATOM 0 HG2 GLN A 21 -1.937 1.505 3.838 1.00 1.41 H new ATOM 0 HG3 GLN A 21 -2.316 1.711 2.139 1.00 1.41 H new ATOM 0 HE21 GLN A 21 0.132 0.969 4.536 1.00 71.55 H new ATOM 0 HE22 GLN A 21 1.256 0.132 3.461 1.00 71.55 H new ATOM 344 N GLU A 22 -4.414 2.814 3.667 1.00 40.42 N ATOM 345 CA GLU A 22 -5.743 2.403 3.216 1.00 72.42 C ATOM 346 C GLU A 22 -6.759 3.443 3.544 1.00 52.02 C ATOM 347 O GLU A 22 -7.684 3.730 2.788 1.00 11.12 O ATOM 348 CB GLU A 22 -6.180 1.054 3.848 1.00 21.43 C ATOM 349 CG GLU A 22 -7.557 0.556 3.342 1.00 44.12 C ATOM 350 CD GLU A 22 -7.920 -0.857 3.793 1.00 21.53 C ATOM 351 OE1 GLU A 22 -8.816 -0.981 4.667 1.00 61.22 O ATOM 352 OE2 GLU A 22 -7.330 -1.820 3.234 1.00 74.32 O ATOM 0 H GLU A 22 -4.019 2.153 4.336 1.00 40.42 H new ATOM 0 HA GLU A 22 -5.680 2.276 2.135 1.00 72.42 H new ATOM 0 HB2 GLU A 22 -5.426 0.298 3.630 1.00 21.43 H new ATOM 0 HB3 GLU A 22 -6.217 1.164 4.932 1.00 21.43 H new ATOM 0 HG2 GLU A 22 -8.328 1.244 3.688 1.00 44.12 H new ATOM 0 HG3 GLU A 22 -7.564 0.590 2.253 1.00 44.12 H new ATOM 359 N LEU A 23 -6.575 4.026 4.729 1.00 4.01 N ATOM 360 CA LEU A 23 -7.517 4.952 5.293 1.00 22.51 C ATOM 361 C LEU A 23 -7.199 6.354 4.800 1.00 3.02 C ATOM 362 O LEU A 23 -7.980 7.279 5.013 1.00 25.34 O ATOM 363 CB LEU A 23 -7.419 4.942 6.820 1.00 74.03 C ATOM 364 CG LEU A 23 -7.565 3.555 7.468 1.00 33.31 C ATOM 365 CD1 LEU A 23 -7.885 3.677 8.958 1.00 41.22 C ATOM 366 CD2 LEU A 23 -8.403 2.482 6.779 1.00 4.43 C ATOM 0 H LEU A 23 -5.758 3.858 5.317 1.00 4.01 H new ATOM 0 HA LEU A 23 -8.522 4.659 4.989 1.00 22.51 H new ATOM 0 HB2 LEU A 23 -6.457 5.364 7.111 1.00 74.03 H new ATOM 0 HB3 LEU A 23 -8.190 5.599 7.224 1.00 74.03 H new ATOM 0 HG LEU A 23 -6.570 3.137 7.316 1.00 33.31 H new ATOM 0 HD11 LEU A 23 -7.983 2.682 9.392 1.00 41.22 H new ATOM 0 HD12 LEU A 23 -7.080 4.214 9.460 1.00 41.22 H new ATOM 0 HD13 LEU A 23 -8.820 4.222 9.086 1.00 41.22 H new ATOM 0 HD21 LEU A 23 -8.393 1.572 7.378 1.00 4.43 H new ATOM 0 HD22 LEU A 23 -9.429 2.834 6.672 1.00 4.43 H new ATOM 0 HD23 LEU A 23 -7.987 2.272 5.794 1.00 4.43 H new ATOM 378 N ASN A 24 -6.029 6.514 4.125 1.00 53.42 N ATOM 379 CA ASN A 24 -5.475 7.765 3.632 1.00 14.01 C ATOM 380 C ASN A 24 -5.247 8.795 4.736 1.00 2.15 C ATOM 381 O ASN A 24 -5.587 9.970 4.620 1.00 71.21 O ATOM 382 CB ASN A 24 -6.379 8.302 2.481 1.00 44.54 C ATOM 383 CG ASN A 24 -5.734 9.381 1.607 1.00 65.53 C ATOM 384 OD1 ASN A 24 -6.304 10.447 1.367 1.00 64.45 O ATOM 385 ND2 ASN A 24 -4.523 9.076 1.070 1.00 10.43 N ATOM 0 H ASN A 24 -5.429 5.718 3.908 1.00 53.42 H new ATOM 0 HA ASN A 24 -4.479 7.570 3.235 1.00 14.01 H new ATOM 0 HB2 ASN A 24 -6.669 7.465 1.846 1.00 44.54 H new ATOM 0 HB3 ASN A 24 -7.294 8.705 2.915 1.00 44.54 H new ATOM 0 HD21 ASN A 24 -4.059 9.738 0.448 1.00 10.43 H new ATOM 0 HD22 ASN A 24 -4.078 8.185 1.289 1.00 10.43 H new ATOM 392 N VAL A 25 -4.636 8.346 5.851 1.00 43.14 N ATOM 393 CA VAL A 25 -4.409 9.143 7.043 1.00 5.33 C ATOM 394 C VAL A 25 -2.912 9.262 7.277 1.00 54.42 C ATOM 395 O VAL A 25 -2.152 8.444 6.760 1.00 61.53 O ATOM 396 CB VAL A 25 -5.110 8.572 8.275 1.00 5.34 C ATOM 397 CG1 VAL A 25 -6.635 8.611 8.061 1.00 62.42 C ATOM 398 CG2 VAL A 25 -4.638 7.136 8.577 1.00 42.44 C ATOM 0 H VAL A 25 -4.283 7.393 5.935 1.00 43.14 H new ATOM 0 HA VAL A 25 -4.841 10.130 6.880 1.00 5.33 H new ATOM 0 HB VAL A 25 -4.851 9.185 9.138 1.00 5.34 H new ATOM 0 HG11 VAL A 25 -7.136 8.204 8.939 1.00 62.42 H new ATOM 0 HG12 VAL A 25 -6.954 9.642 7.906 1.00 62.42 H new ATOM 0 HG13 VAL A 25 -6.895 8.015 7.186 1.00 62.42 H new ATOM 0 HG21 VAL A 25 -5.157 6.761 9.459 1.00 42.44 H new ATOM 0 HG22 VAL A 25 -4.860 6.493 7.725 1.00 42.44 H new ATOM 0 HG23 VAL A 25 -3.564 7.137 8.761 1.00 42.44 H new ATOM 408 N PRO A 26 -2.402 10.260 7.996 1.00 54.03 N ATOM 409 CA PRO A 26 -0.981 10.368 8.287 1.00 34.23 C ATOM 410 C PRO A 26 -0.512 9.392 9.353 1.00 3.33 C ATOM 411 O PRO A 26 -1.299 8.799 10.089 1.00 1.34 O ATOM 412 CB PRO A 26 -0.822 11.826 8.755 1.00 3.53 C ATOM 413 CG PRO A 26 -2.173 12.160 9.387 1.00 54.11 C ATOM 414 CD PRO A 26 -3.150 11.427 8.471 1.00 3.42 C ATOM 0 HA PRO A 26 -0.372 10.119 7.418 1.00 34.23 H new ATOM 0 HB2 PRO A 26 -0.009 11.928 9.474 1.00 3.53 H new ATOM 0 HB3 PRO A 26 -0.596 12.491 7.921 1.00 3.53 H new ATOM 0 HG2 PRO A 26 -2.239 11.808 10.417 1.00 54.11 H new ATOM 0 HG3 PRO A 26 -2.359 13.234 9.405 1.00 54.11 H new ATOM 0 HD2 PRO A 26 -4.051 11.130 9.008 1.00 3.42 H new ATOM 0 HD3 PRO A 26 -3.467 12.059 7.642 1.00 3.42 H new ATOM 422 N ASP A 27 0.827 9.260 9.466 1.00 22.01 N ATOM 423 CA ASP A 27 1.560 8.428 10.401 1.00 24.33 C ATOM 424 C ASP A 27 1.318 8.908 11.826 1.00 61.03 C ATOM 425 O ASP A 27 1.383 8.146 12.784 1.00 42.33 O ATOM 426 CB ASP A 27 3.067 8.448 10.022 1.00 2.33 C ATOM 427 CG ASP A 27 3.891 7.424 10.804 1.00 42.23 C ATOM 428 OD1 ASP A 27 4.807 7.858 11.549 1.00 3.30 O ATOM 429 OD2 ASP A 27 3.619 6.208 10.636 1.00 22.44 O ATOM 0 H ASP A 27 1.457 9.778 8.853 1.00 22.01 H new ATOM 0 HA ASP A 27 1.211 7.397 10.347 1.00 24.33 H new ATOM 0 HB2 ASP A 27 3.171 8.252 8.955 1.00 2.33 H new ATOM 0 HB3 ASP A 27 3.469 9.445 10.203 1.00 2.33 H new ATOM 434 N ALA A 28 0.987 10.205 11.964 1.00 33.12 N ATOM 435 CA ALA A 28 0.601 10.868 13.181 1.00 53.30 C ATOM 436 C ALA A 28 -0.620 10.264 13.845 1.00 23.53 C ATOM 437 O ALA A 28 -0.747 10.288 15.067 1.00 65.12 O ATOM 438 CB ALA A 28 0.314 12.346 12.883 1.00 14.11 C ATOM 0 H ALA A 28 0.988 10.841 11.166 1.00 33.12 H new ATOM 0 HA ALA A 28 1.434 10.749 13.873 1.00 53.30 H new ATOM 0 HB1 ALA A 28 0.021 12.852 13.803 1.00 14.11 H new ATOM 0 HB2 ALA A 28 1.211 12.817 12.479 1.00 14.11 H new ATOM 0 HB3 ALA A 28 -0.494 12.420 12.155 1.00 14.11 H new ATOM 444 N VAL A 29 -1.574 9.714 13.068 1.00 23.55 N ATOM 445 CA VAL A 29 -2.810 9.279 13.689 1.00 44.44 C ATOM 446 C VAL A 29 -2.860 7.775 13.864 1.00 10.14 C ATOM 447 O VAL A 29 -3.545 7.281 14.755 1.00 34.24 O ATOM 448 CB VAL A 29 -4.020 9.768 12.945 1.00 13.31 C ATOM 449 CG1 VAL A 29 -3.950 11.291 12.693 1.00 52.14 C ATOM 450 CG2 VAL A 29 -4.379 8.924 11.724 1.00 45.11 C ATOM 0 H VAL A 29 -1.508 9.571 12.060 1.00 23.55 H new ATOM 0 HA VAL A 29 -2.827 9.730 14.681 1.00 44.44 H new ATOM 0 HB VAL A 29 -4.880 9.618 13.598 1.00 13.31 H new ATOM 0 HG11 VAL A 29 -4.841 11.612 12.153 1.00 52.14 H new ATOM 0 HG12 VAL A 29 -3.896 11.816 13.647 1.00 52.14 H new ATOM 0 HG13 VAL A 29 -3.064 11.522 12.101 1.00 52.14 H new ATOM 0 HG21 VAL A 29 -5.263 9.341 11.241 1.00 45.11 H new ATOM 0 HG22 VAL A 29 -3.546 8.928 11.021 1.00 45.11 H new ATOM 0 HG23 VAL A 29 -4.585 7.900 12.037 1.00 45.11 H new ATOM 460 N MET A 30 -2.095 6.982 13.076 1.00 44.24 N ATOM 461 CA MET A 30 -1.915 5.565 13.389 1.00 21.11 C ATOM 462 C MET A 30 -1.107 5.399 14.659 1.00 35.11 C ATOM 463 O MET A 30 -1.341 4.477 15.440 1.00 63.23 O ATOM 464 CB MET A 30 -1.266 4.768 12.222 1.00 64.43 C ATOM 465 CG MET A 30 0.223 5.065 11.958 1.00 11.35 C ATOM 466 SD MET A 30 1.412 3.983 12.818 1.00 0.11 S ATOM 467 CE MET A 30 1.338 2.648 11.588 1.00 43.23 C ATOM 0 H MET A 30 -1.607 7.301 12.239 1.00 44.24 H new ATOM 0 HA MET A 30 -2.911 5.148 13.540 1.00 21.11 H new ATOM 0 HB2 MET A 30 -1.374 3.703 12.429 1.00 64.43 H new ATOM 0 HB3 MET A 30 -1.826 4.974 11.310 1.00 64.43 H new ATOM 0 HG2 MET A 30 0.404 4.992 10.886 1.00 11.35 H new ATOM 0 HG3 MET A 30 0.425 6.097 12.246 1.00 11.35 H new ATOM 0 HE1 MET A 30 1.901 1.788 11.951 1.00 43.23 H new ATOM 0 HE2 MET A 30 0.299 2.360 11.426 1.00 43.23 H new ATOM 0 HE3 MET A 30 1.770 2.994 10.649 1.00 43.23 H new ATOM 477 N GLN A 31 -0.166 6.342 14.936 1.00 1.01 N ATOM 478 CA GLN A 31 0.625 6.296 16.141 1.00 43.04 C ATOM 479 C GLN A 31 -0.170 6.660 17.372 1.00 54.05 C ATOM 480 O GLN A 31 0.127 6.230 18.483 1.00 2.21 O ATOM 481 CB GLN A 31 1.965 7.084 16.008 1.00 23.21 C ATOM 482 CG GLN A 31 1.964 8.614 15.864 1.00 33.44 C ATOM 483 CD GLN A 31 1.879 9.337 17.202 1.00 52.14 C ATOM 484 OE1 GLN A 31 2.795 9.308 18.027 1.00 30.11 O ATOM 485 NE2 GLN A 31 0.716 9.999 17.408 1.00 52.43 N ATOM 0 H GLN A 31 0.044 7.132 14.326 1.00 1.01 H new ATOM 0 HA GLN A 31 0.914 5.255 16.282 1.00 43.04 H new ATOM 0 HB2 GLN A 31 2.566 6.845 16.885 1.00 23.21 H new ATOM 0 HB3 GLN A 31 2.490 6.681 15.142 1.00 23.21 H new ATOM 0 HG2 GLN A 31 2.871 8.925 15.346 1.00 33.44 H new ATOM 0 HG3 GLN A 31 1.122 8.914 15.241 1.00 33.44 H new ATOM 0 HE21 GLN A 31 -0.010 9.990 16.691 1.00 52.43 H new ATOM 0 HE22 GLN A 31 0.565 10.506 18.280 1.00 52.43 H new ATOM 494 N ASP A 32 -1.291 7.385 17.182 1.00 54.14 N ATOM 495 CA ASP A 32 -2.238 7.698 18.234 1.00 30.24 C ATOM 496 C ASP A 32 -2.865 6.453 18.854 1.00 15.21 C ATOM 497 O ASP A 32 -3.082 6.402 20.059 1.00 52.42 O ATOM 498 CB ASP A 32 -3.387 8.614 17.739 1.00 61.14 C ATOM 499 CG ASP A 32 -3.039 10.082 17.524 1.00 63.41 C ATOM 500 OD1 ASP A 32 -2.032 10.561 18.101 1.00 63.21 O ATOM 501 OD2 ASP A 32 -3.842 10.751 16.818 1.00 72.14 O ATOM 0 H ASP A 32 -1.554 7.768 16.274 1.00 54.14 H new ATOM 0 HA ASP A 32 -1.649 8.219 18.988 1.00 30.24 H new ATOM 0 HB2 ASP A 32 -3.764 8.211 16.799 1.00 61.14 H new ATOM 0 HB3 ASP A 32 -4.203 8.558 18.460 1.00 61.14 H new ATOM 506 N PHE A 33 -3.157 5.414 18.044 1.00 72.54 N ATOM 507 CA PHE A 33 -3.633 4.128 18.536 1.00 63.12 C ATOM 508 C PHE A 33 -2.672 3.425 19.472 1.00 14.21 C ATOM 509 O PHE A 33 -3.085 2.895 20.495 1.00 21.53 O ATOM 510 CB PHE A 33 -4.062 3.240 17.335 1.00 63.32 C ATOM 511 CG PHE A 33 -4.296 1.769 17.607 1.00 73.42 C ATOM 512 CD1 PHE A 33 -3.553 0.827 16.874 1.00 53.44 C ATOM 513 CD2 PHE A 33 -5.138 1.310 18.631 1.00 42.03 C ATOM 514 CE1 PHE A 33 -3.672 -0.544 17.132 1.00 53.30 C ATOM 515 CE2 PHE A 33 -5.292 -0.063 18.865 1.00 34.22 C ATOM 516 CZ PHE A 33 -4.557 -0.992 18.119 1.00 62.34 C ATOM 0 H PHE A 33 -3.065 5.455 17.029 1.00 72.54 H new ATOM 0 HA PHE A 33 -4.504 4.322 19.162 1.00 63.12 H new ATOM 0 HB2 PHE A 33 -4.979 3.656 16.919 1.00 63.32 H new ATOM 0 HB3 PHE A 33 -3.296 3.323 16.564 1.00 63.32 H new ATOM 0 HD1 PHE A 33 -2.880 1.166 16.100 1.00 53.44 H new ATOM 0 HD2 PHE A 33 -5.672 2.021 19.244 1.00 42.03 H new ATOM 0 HE1 PHE A 33 -3.082 -1.254 16.571 1.00 53.30 H new ATOM 0 HE2 PHE A 33 -5.980 -0.406 19.624 1.00 34.22 H new ATOM 0 HZ PHE A 33 -4.672 -2.050 18.304 1.00 62.34 H new ATOM 526 N PHE A 34 -1.365 3.379 19.186 1.00 15.42 N ATOM 527 CA PHE A 34 -0.467 2.777 20.155 1.00 64.42 C ATOM 528 C PHE A 34 -0.204 3.574 21.421 1.00 34.44 C ATOM 529 O PHE A 34 -0.095 3.025 22.517 1.00 63.21 O ATOM 530 CB PHE A 34 0.847 2.342 19.507 1.00 54.14 C ATOM 531 CG PHE A 34 1.843 3.325 18.990 1.00 72.31 C ATOM 532 CD1 PHE A 34 2.862 3.756 19.850 1.00 54.12 C ATOM 533 CD2 PHE A 34 1.939 3.587 17.618 1.00 11.23 C ATOM 534 CE1 PHE A 34 3.997 4.399 19.344 1.00 11.15 C ATOM 535 CE2 PHE A 34 3.105 4.172 17.099 1.00 54.13 C ATOM 536 CZ PHE A 34 4.129 4.587 17.962 1.00 2.52 C ATOM 0 H PHE A 34 -0.930 3.734 18.334 1.00 15.42 H new ATOM 0 HA PHE A 34 -1.020 1.903 20.499 1.00 64.42 H new ATOM 0 HB2 PHE A 34 1.368 1.724 20.239 1.00 54.14 H new ATOM 0 HB3 PHE A 34 0.584 1.693 18.671 1.00 54.14 H new ATOM 0 HD1 PHE A 34 2.770 3.590 20.913 1.00 54.12 H new ATOM 0 HD2 PHE A 34 1.118 3.340 16.961 1.00 11.23 H new ATOM 0 HE1 PHE A 34 4.767 4.749 20.015 1.00 11.15 H new ATOM 0 HE2 PHE A 34 3.213 4.303 16.032 1.00 54.13 H new ATOM 0 HZ PHE A 34 5.018 5.051 17.562 1.00 2.52 H new ATOM 546 N ASN A 35 -0.183 4.907 21.285 1.00 70.02 N ATOM 547 CA ASN A 35 -0.159 5.879 22.361 1.00 72.22 C ATOM 548 C ASN A 35 -1.391 5.867 23.254 1.00 55.55 C ATOM 549 O ASN A 35 -1.330 6.296 24.401 1.00 15.14 O ATOM 550 CB ASN A 35 0.056 7.294 21.794 1.00 65.32 C ATOM 551 CG ASN A 35 1.519 7.542 21.422 1.00 0.15 C ATOM 552 OD1 ASN A 35 2.357 7.765 22.299 1.00 2.24 O ATOM 553 ND2 ASN A 35 1.821 7.550 20.106 1.00 14.11 N ATOM 0 H ASN A 35 -0.182 5.350 20.366 1.00 70.02 H new ATOM 0 HA ASN A 35 0.676 5.586 22.998 1.00 72.22 H new ATOM 0 HB2 ASN A 35 -0.571 7.432 20.913 1.00 65.32 H new ATOM 0 HB3 ASN A 35 -0.262 8.032 22.530 1.00 65.32 H new ATOM 0 HD21 ASN A 35 2.775 7.746 19.803 1.00 14.11 H new ATOM 0 HD22 ASN A 35 1.095 7.360 19.415 1.00 14.11 H new ATOM 560 N PHE A 36 -2.527 5.329 22.764 1.00 42.34 N ATOM 561 CA PHE A 36 -3.795 5.164 23.456 1.00 31.40 C ATOM 562 C PHE A 36 -3.632 4.354 24.727 1.00 24.43 C ATOM 563 O PHE A 36 -4.247 4.639 25.751 1.00 54.53 O ATOM 564 CB PHE A 36 -4.793 4.477 22.481 1.00 75.44 C ATOM 565 CG PHE A 36 -6.177 4.300 23.013 1.00 34.55 C ATOM 566 CD1 PHE A 36 -6.506 3.164 23.766 1.00 13.03 C ATOM 567 CD2 PHE A 36 -7.169 5.245 22.728 1.00 32.31 C ATOM 568 CE1 PHE A 36 -7.801 2.989 24.257 1.00 3.24 C ATOM 569 CE2 PHE A 36 -8.458 5.093 23.242 1.00 32.54 C ATOM 570 CZ PHE A 36 -8.767 3.959 23.995 1.00 42.24 C ATOM 0 H PHE A 36 -2.572 4.978 21.807 1.00 42.34 H new ATOM 0 HA PHE A 36 -4.177 6.140 23.755 1.00 31.40 H new ATOM 0 HB2 PHE A 36 -4.845 5.065 21.565 1.00 75.44 H new ATOM 0 HB3 PHE A 36 -4.397 3.499 22.210 1.00 75.44 H new ATOM 0 HD1 PHE A 36 -5.751 2.418 23.968 1.00 13.03 H new ATOM 0 HD2 PHE A 36 -6.936 6.097 22.107 1.00 32.31 H new ATOM 0 HE1 PHE A 36 -8.052 2.111 24.834 1.00 3.24 H new ATOM 0 HE2 PHE A 36 -9.210 5.846 23.059 1.00 32.54 H new ATOM 0 HZ PHE A 36 -9.768 3.832 24.380 1.00 42.24 H new ATOM 580 N TRP A 37 -2.803 3.296 24.669 1.00 74.31 N ATOM 581 CA TRP A 37 -2.633 2.350 25.746 1.00 31.04 C ATOM 582 C TRP A 37 -1.712 2.885 26.831 1.00 35.15 C ATOM 583 O TRP A 37 -1.610 2.298 27.908 1.00 64.51 O ATOM 584 CB TRP A 37 -2.078 1.024 25.188 1.00 75.12 C ATOM 585 CG TRP A 37 -2.965 0.461 24.091 1.00 64.31 C ATOM 586 CD1 TRP A 37 -2.651 0.387 22.764 1.00 40.13 C ATOM 587 CD2 TRP A 37 -4.367 0.133 24.196 1.00 53.05 C ATOM 588 NE1 TRP A 37 -3.750 0.007 22.029 1.00 32.40 N ATOM 589 CE2 TRP A 37 -4.818 -0.133 22.886 1.00 12.25 C ATOM 590 CE3 TRP A 37 -5.242 0.073 25.284 1.00 44.54 C ATOM 591 CZ2 TRP A 37 -6.146 -0.438 22.642 1.00 13.24 C ATOM 592 CZ3 TRP A 37 -6.593 -0.215 25.026 1.00 14.25 C ATOM 593 CH2 TRP A 37 -7.045 -0.442 23.716 1.00 44.44 C ATOM 0 H TRP A 37 -2.230 3.086 23.851 1.00 74.31 H new ATOM 0 HA TRP A 37 -3.609 2.180 26.200 1.00 31.04 H new ATOM 0 HB2 TRP A 37 -1.074 1.186 24.797 1.00 75.12 H new ATOM 0 HB3 TRP A 37 -1.992 0.297 25.996 1.00 75.12 H new ATOM 0 HD1 TRP A 37 -1.676 0.597 22.350 1.00 40.13 H new ATOM 0 HE1 TRP A 37 -3.770 -0.145 21.021 1.00 32.40 H new ATOM 0 HE3 TRP A 37 -4.891 0.243 26.291 1.00 44.54 H new ATOM 0 HZ2 TRP A 37 -6.483 -0.669 21.642 1.00 13.24 H new ATOM 0 HZ3 TRP A 37 -7.293 -0.262 25.847 1.00 14.25 H new ATOM 0 HH2 TRP A 37 -8.095 -0.621 23.535 1.00 44.44 H new ATOM 604 N LYS A 38 -1.019 4.027 26.586 1.00 13.15 N ATOM 605 CA LYS A 38 -0.227 4.692 27.612 1.00 42.35 C ATOM 606 C LYS A 38 -1.096 5.213 28.754 1.00 35.14 C ATOM 607 O LYS A 38 -2.041 5.978 28.556 1.00 44.11 O ATOM 608 CB LYS A 38 0.573 5.887 27.027 1.00 41.24 C ATOM 609 CG LYS A 38 1.508 6.640 27.999 1.00 74.35 C ATOM 610 CD LYS A 38 2.654 5.802 28.603 1.00 23.41 C ATOM 611 CE LYS A 38 3.665 5.228 27.603 1.00 33.24 C ATOM 612 NZ LYS A 38 4.404 6.315 26.932 1.00 74.24 N ATOM 0 H LYS A 38 -1.003 4.494 25.680 1.00 13.15 H new ATOM 0 HA LYS A 38 0.461 3.939 27.995 1.00 42.35 H new ATOM 0 HB2 LYS A 38 1.173 5.519 26.194 1.00 41.24 H new ATOM 0 HB3 LYS A 38 -0.138 6.603 26.616 1.00 41.24 H new ATOM 0 HG2 LYS A 38 1.942 7.490 27.473 1.00 74.35 H new ATOM 0 HG3 LYS A 38 0.907 7.043 28.814 1.00 74.35 H new ATOM 0 HD2 LYS A 38 3.193 6.422 29.319 1.00 23.41 H new ATOM 0 HD3 LYS A 38 2.217 4.975 29.163 1.00 23.41 H new ATOM 0 HE2 LYS A 38 4.364 4.571 28.120 1.00 33.24 H new ATOM 0 HE3 LYS A 38 3.147 4.621 26.861 1.00 33.24 H new ATOM 0 HZ1 LYS A 38 5.096 5.908 26.271 1.00 74.24 H new ATOM 0 HZ2 LYS A 38 3.737 6.916 26.408 1.00 74.24 H new ATOM 0 HZ3 LYS A 38 4.901 6.888 27.644 1.00 74.24 H new ATOM 626 N GLU A 39 -0.780 4.835 30.014 1.00 34.23 N ATOM 627 CA GLU A 39 -1.451 5.400 31.170 1.00 0.34 C ATOM 628 C GLU A 39 -1.064 6.854 31.375 1.00 74.33 C ATOM 629 O GLU A 39 0.107 7.223 31.318 1.00 11.55 O ATOM 630 CB GLU A 39 -1.171 4.589 32.467 1.00 2.43 C ATOM 631 CG GLU A 39 -1.831 3.181 32.506 1.00 55.41 C ATOM 632 CD GLU A 39 -3.354 3.206 32.697 1.00 45.45 C ATOM 633 OE1 GLU A 39 -3.935 2.099 32.870 1.00 44.33 O ATOM 634 OE2 GLU A 39 -3.950 4.313 32.703 1.00 20.45 O ATOM 0 H GLU A 39 -0.065 4.143 30.238 1.00 34.23 H new ATOM 0 HA GLU A 39 -2.520 5.344 30.965 1.00 0.34 H new ATOM 0 HB2 GLU A 39 -0.093 4.474 32.582 1.00 2.43 H new ATOM 0 HB3 GLU A 39 -1.523 5.165 33.323 1.00 2.43 H new ATOM 0 HG2 GLU A 39 -1.601 2.658 31.578 1.00 55.41 H new ATOM 0 HG3 GLU A 39 -1.384 2.605 33.316 1.00 55.41 H new ATOM 641 N GLY A 40 -2.075 7.723 31.598 1.00 21.43 N ATOM 642 CA GLY A 40 -1.885 9.164 31.665 1.00 21.52 C ATOM 643 C GLY A 40 -2.133 9.863 30.353 1.00 33.54 C ATOM 644 O GLY A 40 -2.195 11.089 30.317 1.00 34.44 O ATOM 0 H GLY A 40 -3.042 7.430 31.735 1.00 21.43 H new ATOM 0 HA2 GLY A 40 -2.554 9.576 32.420 1.00 21.52 H new ATOM 0 HA3 GLY A 40 -0.867 9.374 31.993 1.00 21.52 H new ATOM 648 N TYR A 41 -2.296 9.122 29.234 1.00 31.31 N ATOM 649 CA TYR A 41 -2.643 9.696 27.952 1.00 32.42 C ATOM 650 C TYR A 41 -4.114 9.592 27.660 1.00 64.43 C ATOM 651 O TYR A 41 -4.766 8.573 27.877 1.00 42.35 O ATOM 652 CB TYR A 41 -1.862 9.068 26.771 1.00 3.13 C ATOM 653 CG TYR A 41 -0.432 9.539 26.618 1.00 1.21 C ATOM 654 CD1 TYR A 41 0.168 9.252 25.384 1.00 44.21 C ATOM 655 CD2 TYR A 41 0.308 10.276 27.566 1.00 42.11 C ATOM 656 CE1 TYR A 41 1.473 9.663 25.095 1.00 20.01 C ATOM 657 CE2 TYR A 41 1.623 10.681 27.285 1.00 43.31 C ATOM 658 CZ TYR A 41 2.207 10.372 26.052 1.00 33.43 C ATOM 659 OH TYR A 41 3.526 10.784 25.773 1.00 61.30 O ATOM 0 H TYR A 41 -2.186 8.108 29.214 1.00 31.31 H new ATOM 0 HA TYR A 41 -2.361 10.745 28.037 1.00 32.42 H new ATOM 0 HB2 TYR A 41 -1.859 7.985 26.894 1.00 3.13 H new ATOM 0 HB3 TYR A 41 -2.399 9.283 25.847 1.00 3.13 H new ATOM 0 HD1 TYR A 41 -0.390 8.702 24.641 1.00 44.21 H new ATOM 0 HD2 TYR A 41 -0.140 10.531 28.515 1.00 42.11 H new ATOM 0 HE1 TYR A 41 1.913 9.434 24.136 1.00 20.01 H new ATOM 0 HE2 TYR A 41 2.185 11.233 28.023 1.00 43.31 H new ATOM 0 HH TYR A 41 3.889 11.265 26.546 1.00 61.30 H new ATOM 669 N GLN A 42 -4.658 10.693 27.108 1.00 41.10 N ATOM 670 CA GLN A 42 -5.951 10.707 26.505 1.00 14.45 C ATOM 671 C GLN A 42 -5.759 10.924 25.018 1.00 40.15 C ATOM 672 O GLN A 42 -5.129 11.877 24.558 1.00 74.43 O ATOM 673 CB GLN A 42 -6.891 11.755 27.146 1.00 62.35 C ATOM 674 CG GLN A 42 -6.528 13.236 26.957 1.00 20.31 C ATOM 675 CD GLN A 42 -5.400 13.725 27.867 1.00 62.42 C ATOM 676 OE1 GLN A 42 -5.600 13.966 29.058 1.00 24.21 O ATOM 677 NE2 GLN A 42 -4.178 13.887 27.290 1.00 20.42 N ATOM 0 H GLN A 42 -4.184 11.596 27.082 1.00 41.10 H new ATOM 0 HA GLN A 42 -6.451 9.754 26.675 1.00 14.45 H new ATOM 0 HB2 GLN A 42 -7.893 11.599 26.745 1.00 62.35 H new ATOM 0 HB3 GLN A 42 -6.941 11.554 28.216 1.00 62.35 H new ATOM 0 HG2 GLN A 42 -6.238 13.398 25.919 1.00 20.31 H new ATOM 0 HG3 GLN A 42 -7.415 13.842 27.139 1.00 20.31 H new ATOM 0 HE21 GLN A 42 -4.050 13.677 26.300 1.00 20.42 H new ATOM 0 HE22 GLN A 42 -3.391 14.218 27.848 1.00 20.42 H new ATOM 686 N ILE A 43 -6.307 9.994 24.227 1.00 22.11 N ATOM 687 CA ILE A 43 -6.474 10.110 22.797 1.00 51.33 C ATOM 688 C ILE A 43 -7.939 10.404 22.535 1.00 55.23 C ATOM 689 O ILE A 43 -8.829 9.687 22.987 1.00 1.35 O ATOM 690 CB ILE A 43 -6.081 8.830 22.112 1.00 3.34 C ATOM 691 CG1 ILE A 43 -4.614 8.449 22.407 1.00 64.03 C ATOM 692 CG2 ILE A 43 -6.355 8.878 20.592 1.00 72.11 C ATOM 693 CD1 ILE A 43 -3.529 9.380 21.853 1.00 5.41 C ATOM 0 H ILE A 43 -6.656 9.109 24.593 1.00 22.11 H new ATOM 0 HA ILE A 43 -5.839 10.905 22.407 1.00 51.33 H new ATOM 0 HB ILE A 43 -6.713 8.045 22.528 1.00 3.34 H new ATOM 0 HG12 ILE A 43 -4.490 8.390 23.488 1.00 64.03 H new ATOM 0 HG13 ILE A 43 -4.437 7.449 22.011 1.00 64.03 H new ATOM 0 HG21 ILE A 43 -6.056 7.933 20.138 1.00 72.11 H new ATOM 0 HG22 ILE A 43 -7.418 9.043 20.419 1.00 72.11 H new ATOM 0 HG23 ILE A 43 -5.784 9.692 20.145 1.00 72.11 H new ATOM 0 HD11 ILE A 43 -2.546 8.999 22.131 1.00 5.41 H new ATOM 0 HD12 ILE A 43 -3.607 9.424 20.767 1.00 5.41 H new ATOM 0 HD13 ILE A 43 -3.661 10.380 22.267 1.00 5.41 H new ATOM 705 N THR A 44 -8.211 11.501 21.806 1.00 51.24 N ATOM 706 CA THR A 44 -9.551 12.031 21.581 1.00 74.23 C ATOM 707 C THR A 44 -9.853 12.151 20.101 1.00 63.35 C ATOM 708 O THR A 44 -10.926 12.601 19.710 1.00 23.21 O ATOM 709 CB THR A 44 -9.766 13.380 22.267 1.00 45.12 C ATOM 710 OG1 THR A 44 -8.834 14.364 21.827 1.00 53.22 O ATOM 711 CG2 THR A 44 -9.613 13.226 23.794 1.00 70.23 C ATOM 0 H THR A 44 -7.482 12.050 21.350 1.00 51.24 H new ATOM 0 HA THR A 44 -10.242 11.316 22.027 1.00 74.23 H new ATOM 0 HB THR A 44 -10.772 13.708 22.005 1.00 45.12 H new ATOM 0 HG1 THR A 44 -9.009 15.210 22.289 1.00 53.22 H new ATOM 0 HG21 THR A 44 -9.768 14.192 24.274 1.00 70.23 H new ATOM 0 HG22 THR A 44 -10.351 12.514 24.164 1.00 70.23 H new ATOM 0 HG23 THR A 44 -8.612 12.863 24.025 1.00 70.23 H new ATOM 719 N ASN A 45 -8.892 11.766 19.231 1.00 34.34 N ATOM 720 CA ASN A 45 -8.922 12.057 17.818 1.00 10.01 C ATOM 721 C ASN A 45 -9.671 11.004 17.036 1.00 23.21 C ATOM 722 O ASN A 45 -9.435 9.810 17.179 1.00 22.30 O ATOM 723 CB ASN A 45 -7.476 12.231 17.288 1.00 63.44 C ATOM 724 CG ASN A 45 -7.470 12.808 15.872 1.00 60.11 C ATOM 725 OD1 ASN A 45 -8.319 13.625 15.508 1.00 2.40 O ATOM 726 ND2 ASN A 45 -6.509 12.335 15.046 1.00 24.35 N ATOM 0 H ASN A 45 -8.069 11.236 19.517 1.00 34.34 H new ATOM 0 HA ASN A 45 -9.466 12.991 17.676 1.00 10.01 H new ATOM 0 HB2 ASN A 45 -6.919 12.890 17.954 1.00 63.44 H new ATOM 0 HB3 ASN A 45 -6.966 11.268 17.293 1.00 63.44 H new ATOM 0 HD21 ASN A 45 -6.466 12.654 14.078 1.00 24.35 H new ATOM 0 HD22 ASN A 45 -5.827 11.660 15.391 1.00 24.35 H new ATOM 733 N ARG A 46 -10.567 11.454 16.132 1.00 50.42 N ATOM 734 CA ARG A 46 -11.493 10.640 15.370 1.00 63.33 C ATOM 735 C ARG A 46 -10.818 9.619 14.475 1.00 62.52 C ATOM 736 O ARG A 46 -11.304 8.505 14.292 1.00 52.51 O ATOM 737 CB ARG A 46 -12.409 11.564 14.550 1.00 43.43 C ATOM 738 CG ARG A 46 -11.687 12.392 13.475 1.00 54.31 C ATOM 739 CD ARG A 46 -12.578 13.528 12.969 1.00 60.44 C ATOM 740 NE ARG A 46 -13.798 12.933 12.334 1.00 22.22 N ATOM 741 CZ ARG A 46 -14.813 13.701 11.838 1.00 71.20 C ATOM 742 NH1 ARG A 46 -14.692 15.057 11.801 1.00 71.33 N ATOM 743 NH2 ARG A 46 -15.949 13.091 11.392 1.00 61.41 N ATOM 0 H ARG A 46 -10.656 12.447 15.915 1.00 50.42 H new ATOM 0 HA ARG A 46 -12.076 10.057 16.083 1.00 63.33 H new ATOM 0 HB2 ARG A 46 -13.177 10.958 14.068 1.00 43.43 H new ATOM 0 HB3 ARG A 46 -12.920 12.244 15.231 1.00 43.43 H new ATOM 0 HG2 ARG A 46 -10.765 12.803 13.886 1.00 54.31 H new ATOM 0 HG3 ARG A 46 -11.405 11.747 12.642 1.00 54.31 H new ATOM 0 HD2 ARG A 46 -12.862 14.182 13.794 1.00 60.44 H new ATOM 0 HD3 ARG A 46 -12.037 14.141 12.248 1.00 60.44 H new ATOM 0 HE ARG A 46 -13.873 11.918 12.270 1.00 22.22 H new ATOM 0 HH11 ARG A 46 -13.841 15.503 12.144 1.00 71.33 H new ATOM 0 HH12 ARG A 46 -15.452 15.627 11.430 1.00 71.33 H new ATOM 0 HH21 ARG A 46 -16.032 12.075 11.432 1.00 61.41 H new ATOM 0 HH22 ARG A 46 -16.716 13.651 11.019 1.00 61.41 H new ATOM 757 N GLU A 47 -9.613 9.951 13.970 1.00 33.50 N ATOM 758 CA GLU A 47 -8.732 9.047 13.284 1.00 0.03 C ATOM 759 C GLU A 47 -8.243 7.895 14.092 1.00 44.43 C ATOM 760 O GLU A 47 -8.023 6.827 13.528 1.00 33.02 O ATOM 761 CB GLU A 47 -7.515 9.770 12.704 1.00 64.53 C ATOM 762 CG GLU A 47 -7.800 10.501 11.381 1.00 43.03 C ATOM 763 CD GLU A 47 -6.870 11.662 11.046 1.00 72.13 C ATOM 764 OE1 GLU A 47 -6.270 11.641 9.942 1.00 15.31 O ATOM 765 OE2 GLU A 47 -6.771 12.589 11.895 1.00 35.52 O ATOM 0 H GLU A 47 -9.234 10.895 14.043 1.00 33.50 H new ATOM 0 HA GLU A 47 -9.362 8.641 12.493 1.00 0.03 H new ATOM 0 HB2 GLU A 47 -7.150 10.491 13.435 1.00 64.53 H new ATOM 0 HB3 GLU A 47 -6.716 9.046 12.544 1.00 64.53 H new ATOM 0 HG2 GLU A 47 -7.750 9.775 10.569 1.00 43.03 H new ATOM 0 HG3 GLU A 47 -8.823 10.877 11.409 1.00 43.03 H new ATOM 772 N ALA A 48 -8.076 8.065 15.421 1.00 41.31 N ATOM 773 CA ALA A 48 -7.664 6.943 16.263 1.00 12.14 C ATOM 774 C ALA A 48 -8.658 5.797 16.160 1.00 12.00 C ATOM 775 O ALA A 48 -8.293 4.644 15.991 1.00 33.41 O ATOM 776 CB ALA A 48 -7.533 7.324 17.758 1.00 63.45 C ATOM 0 H ALA A 48 -8.218 8.946 15.915 1.00 41.31 H new ATOM 0 HA ALA A 48 -6.684 6.644 15.892 1.00 12.14 H new ATOM 0 HB1 ALA A 48 -7.225 6.449 18.331 1.00 63.45 H new ATOM 0 HB2 ALA A 48 -6.788 8.112 17.869 1.00 63.45 H new ATOM 0 HB3 ALA A 48 -8.494 7.680 18.128 1.00 63.45 H new ATOM 782 N GLY A 49 -9.962 6.118 16.148 1.00 61.42 N ATOM 783 CA GLY A 49 -11.036 5.159 15.962 1.00 72.14 C ATOM 784 C GLY A 49 -11.023 4.482 14.632 1.00 63.32 C ATOM 785 O GLY A 49 -11.261 3.281 14.532 1.00 74.20 O ATOM 0 H GLY A 49 -10.294 7.075 16.271 1.00 61.42 H new ATOM 0 HA2 GLY A 49 -10.973 4.402 16.744 1.00 72.14 H new ATOM 0 HA3 GLY A 49 -11.991 5.669 16.089 1.00 72.14 H new ATOM 789 N CYS A 50 -10.741 5.265 13.570 1.00 21.22 N ATOM 790 CA CYS A 50 -10.693 4.809 12.197 1.00 21.13 C ATOM 791 C CYS A 50 -9.590 3.795 11.991 1.00 2.24 C ATOM 792 O CYS A 50 -9.793 2.791 11.314 1.00 11.03 O ATOM 793 CB CYS A 50 -10.496 5.982 11.200 1.00 3.22 C ATOM 794 SG CYS A 50 -11.898 7.151 11.101 1.00 50.32 S ATOM 0 H CYS A 50 -10.537 6.260 13.665 1.00 21.22 H new ATOM 0 HA CYS A 50 -11.657 4.340 11.998 1.00 21.13 H new ATOM 0 HB2 CYS A 50 -9.600 6.535 11.484 1.00 3.22 H new ATOM 0 HB3 CYS A 50 -10.315 5.570 10.207 1.00 3.22 H new ATOM 799 N VAL A 51 -8.391 4.006 12.590 1.00 3.33 N ATOM 800 CA VAL A 51 -7.356 2.979 12.568 1.00 33.23 C ATOM 801 C VAL A 51 -7.742 1.760 13.367 1.00 51.13 C ATOM 802 O VAL A 51 -7.586 0.641 12.899 1.00 54.23 O ATOM 803 CB VAL A 51 -5.950 3.515 12.910 1.00 52.21 C ATOM 804 CG1 VAL A 51 -5.848 4.331 14.210 1.00 74.25 C ATOM 805 CG2 VAL A 51 -4.961 2.343 13.099 1.00 2.12 C ATOM 0 H VAL A 51 -8.134 4.863 13.080 1.00 3.33 H new ATOM 0 HA VAL A 51 -7.282 2.650 11.531 1.00 33.23 H new ATOM 0 HB VAL A 51 -5.718 4.166 12.067 1.00 52.21 H new ATOM 0 HG11 VAL A 51 -4.818 4.659 14.354 1.00 74.25 H new ATOM 0 HG12 VAL A 51 -6.500 5.202 14.145 1.00 74.25 H new ATOM 0 HG13 VAL A 51 -6.153 3.711 15.053 1.00 74.25 H new ATOM 0 HG21 VAL A 51 -3.973 2.736 13.340 1.00 2.12 H new ATOM 0 HG22 VAL A 51 -5.305 1.704 13.912 1.00 2.12 H new ATOM 0 HG23 VAL A 51 -4.906 1.762 12.179 1.00 2.12 H new ATOM 815 N ILE A 52 -8.351 1.928 14.551 1.00 11.05 N ATOM 816 CA ILE A 52 -8.675 0.833 15.465 1.00 14.21 C ATOM 817 C ILE A 52 -9.598 -0.195 14.848 1.00 11.05 C ATOM 818 O ILE A 52 -9.359 -1.401 14.920 1.00 30.12 O ATOM 819 CB ILE A 52 -9.278 1.397 16.753 1.00 1.54 C ATOM 820 CG1 ILE A 52 -8.173 2.095 17.568 1.00 44.30 C ATOM 821 CG2 ILE A 52 -10.033 0.314 17.559 1.00 34.40 C ATOM 822 CD1 ILE A 52 -8.566 3.138 18.633 1.00 31.21 C ATOM 0 H ILE A 52 -8.634 2.843 14.901 1.00 11.05 H new ATOM 0 HA ILE A 52 -7.745 0.312 15.692 1.00 14.21 H new ATOM 0 HB ILE A 52 -10.033 2.142 16.501 1.00 1.54 H new ATOM 0 HG12 ILE A 52 -7.594 1.318 18.068 1.00 44.30 H new ATOM 0 HG13 ILE A 52 -7.504 2.585 16.861 1.00 44.30 H new ATOM 0 HG21 ILE A 52 -10.445 0.757 18.466 1.00 34.40 H new ATOM 0 HG22 ILE A 52 -10.843 -0.092 16.953 1.00 34.40 H new ATOM 0 HG23 ILE A 52 -9.344 -0.487 17.827 1.00 34.40 H new ATOM 0 HD11 ILE A 52 -7.667 3.528 19.110 1.00 31.21 H new ATOM 0 HD12 ILE A 52 -9.109 3.955 18.159 1.00 31.21 H new ATOM 0 HD13 ILE A 52 -9.201 2.669 19.385 1.00 31.21 H new ATOM 834 N LEU A 53 -10.665 0.275 14.184 1.00 13.13 N ATOM 835 CA LEU A 53 -11.636 -0.570 13.537 1.00 41.24 C ATOM 836 C LEU A 53 -11.112 -1.313 12.329 1.00 60.31 C ATOM 837 O LEU A 53 -11.551 -2.416 12.009 1.00 44.45 O ATOM 838 CB LEU A 53 -12.904 0.272 13.270 1.00 22.20 C ATOM 839 CG LEU A 53 -12.860 1.450 12.271 1.00 23.53 C ATOM 840 CD1 LEU A 53 -12.610 1.057 10.808 1.00 65.30 C ATOM 841 CD2 LEU A 53 -14.197 2.202 12.379 1.00 1.21 C ATOM 0 H LEU A 53 -10.865 1.271 14.090 1.00 13.13 H new ATOM 0 HA LEU A 53 -11.892 -1.391 14.207 1.00 41.24 H new ATOM 0 HB2 LEU A 53 -13.680 -0.413 12.928 1.00 22.20 H new ATOM 0 HB3 LEU A 53 -13.233 0.674 14.229 1.00 22.20 H new ATOM 0 HG LEU A 53 -12.004 2.066 12.546 1.00 23.53 H new ATOM 0 HD11 LEU A 53 -12.597 1.953 10.188 1.00 65.30 H new ATOM 0 HD12 LEU A 53 -11.651 0.546 10.727 1.00 65.30 H new ATOM 0 HD13 LEU A 53 -13.405 0.392 10.469 1.00 65.30 H new ATOM 0 HD21 LEU A 53 -14.199 3.042 11.685 1.00 1.21 H new ATOM 0 HD22 LEU A 53 -15.016 1.526 12.133 1.00 1.21 H new ATOM 0 HD23 LEU A 53 -14.325 2.572 13.396 1.00 1.21 H new ATOM 853 N CYS A 54 -10.112 -0.713 11.660 1.00 64.24 N ATOM 854 CA CYS A 54 -9.383 -1.273 10.545 1.00 1.24 C ATOM 855 C CYS A 54 -8.608 -2.521 10.929 1.00 32.01 C ATOM 856 O CYS A 54 -8.664 -3.503 10.189 1.00 12.20 O ATOM 857 CB CYS A 54 -8.482 -0.197 9.886 1.00 51.42 C ATOM 858 SG CYS A 54 -7.573 -0.749 8.411 1.00 12.24 S ATOM 0 H CYS A 54 -9.786 0.222 11.907 1.00 64.24 H new ATOM 0 HA CYS A 54 -10.112 -1.595 9.801 1.00 1.24 H new ATOM 0 HB2 CYS A 54 -9.103 0.656 9.613 1.00 51.42 H new ATOM 0 HB3 CYS A 54 -7.763 0.155 10.626 1.00 51.42 H new ATOM 863 N LEU A 55 -7.904 -2.583 12.101 1.00 23.32 N ATOM 864 CA LEU A 55 -7.242 -3.795 12.501 1.00 74.55 C ATOM 865 C LEU A 55 -8.168 -4.953 12.695 1.00 13.21 C ATOM 866 O LEU A 55 -7.834 -6.070 12.341 1.00 12.33 O ATOM 867 CB LEU A 55 -6.508 -3.493 13.781 1.00 54.11 C ATOM 868 CG LEU A 55 -5.239 -2.650 13.567 1.00 54.54 C ATOM 869 CD1 LEU A 55 -4.134 -3.465 12.885 1.00 1.24 C ATOM 870 CD2 LEU A 55 -5.310 -1.245 12.972 1.00 41.05 C ATOM 0 H LEU A 55 -7.801 -1.805 12.752 1.00 23.32 H new ATOM 0 HA LEU A 55 -6.567 -4.102 11.702 1.00 74.55 H new ATOM 0 HB2 LEU A 55 -7.177 -2.965 14.460 1.00 54.11 H new ATOM 0 HB3 LEU A 55 -6.236 -4.430 14.266 1.00 54.11 H new ATOM 0 HG LEU A 55 -5.014 -2.411 14.606 1.00 54.54 H new ATOM 0 HD11 LEU A 55 -3.252 -2.839 12.749 1.00 1.24 H new ATOM 0 HD12 LEU A 55 -3.878 -4.323 13.507 1.00 1.24 H new ATOM 0 HD13 LEU A 55 -4.485 -3.813 11.914 1.00 1.24 H new ATOM 0 HD21 LEU A 55 -4.306 -0.826 12.907 1.00 41.05 H new ATOM 0 HD22 LEU A 55 -5.748 -1.294 11.975 1.00 41.05 H new ATOM 0 HD23 LEU A 55 -5.927 -0.611 13.609 1.00 41.05 H new ATOM 882 N ALA A 56 -9.363 -4.700 13.227 1.00 11.43 N ATOM 883 CA ALA A 56 -10.349 -5.686 13.593 1.00 3.44 C ATOM 884 C ALA A 56 -10.818 -6.594 12.478 1.00 2.21 C ATOM 885 O ALA A 56 -11.066 -7.788 12.667 1.00 30.15 O ATOM 886 CB ALA A 56 -11.507 -4.912 14.224 1.00 52.14 C ATOM 0 H ALA A 56 -9.675 -3.748 13.420 1.00 11.43 H new ATOM 0 HA ALA A 56 -9.890 -6.392 14.285 1.00 3.44 H new ATOM 0 HB1 ALA A 56 -12.290 -5.609 14.524 1.00 52.14 H new ATOM 0 HB2 ALA A 56 -11.149 -4.371 15.100 1.00 52.14 H new ATOM 0 HB3 ALA A 56 -11.909 -4.204 13.499 1.00 52.14 H new ATOM 892 N LYS A 57 -10.926 -6.038 11.263 1.00 65.15 N ATOM 893 CA LYS A 57 -11.058 -6.862 10.071 1.00 61.21 C ATOM 894 C LYS A 57 -9.776 -7.613 9.708 1.00 4.24 C ATOM 895 O LYS A 57 -9.792 -8.791 9.350 1.00 34.24 O ATOM 896 CB LYS A 57 -11.510 -6.018 8.853 1.00 4.43 C ATOM 897 CG LYS A 57 -12.947 -5.485 8.990 1.00 21.40 C ATOM 898 CD LYS A 57 -13.429 -4.686 7.764 1.00 35.03 C ATOM 899 CE LYS A 57 -13.608 -5.538 6.505 1.00 31.54 C ATOM 900 NZ LYS A 57 -14.157 -4.709 5.414 1.00 13.34 N ATOM 0 H LYS A 57 -10.924 -5.033 11.089 1.00 65.15 H new ATOM 0 HA LYS A 57 -11.819 -7.603 10.315 1.00 61.21 H new ATOM 0 HB2 LYS A 57 -10.827 -5.178 8.727 1.00 4.43 H new ATOM 0 HB3 LYS A 57 -11.438 -6.625 7.951 1.00 4.43 H new ATOM 0 HG2 LYS A 57 -13.623 -6.324 9.154 1.00 21.40 H new ATOM 0 HG3 LYS A 57 -13.007 -4.850 9.874 1.00 21.40 H new ATOM 0 HD2 LYS A 57 -14.377 -4.206 8.005 1.00 35.03 H new ATOM 0 HD3 LYS A 57 -12.713 -3.891 7.555 1.00 35.03 H new ATOM 0 HE2 LYS A 57 -12.651 -5.964 6.204 1.00 31.54 H new ATOM 0 HE3 LYS A 57 -14.278 -6.373 6.712 1.00 31.54 H new ATOM 0 HZ1 LYS A 57 -14.277 -5.292 4.561 1.00 13.34 H new ATOM 0 HZ2 LYS A 57 -15.079 -4.323 5.702 1.00 13.34 H new ATOM 0 HZ3 LYS A 57 -13.503 -3.927 5.209 1.00 13.34 H new ATOM 914 N LYS A 58 -8.610 -6.946 9.806 1.00 42.52 N ATOM 915 CA LYS A 58 -7.338 -7.413 9.301 1.00 25.50 C ATOM 916 C LYS A 58 -6.540 -8.239 10.307 1.00 24.32 C ATOM 917 O LYS A 58 -5.330 -8.086 10.460 1.00 5.53 O ATOM 918 CB LYS A 58 -6.502 -6.205 8.831 1.00 60.41 C ATOM 919 CG LYS A 58 -7.076 -5.459 7.620 1.00 61.24 C ATOM 920 CD LYS A 58 -6.091 -4.381 7.142 1.00 31.21 C ATOM 921 CE LYS A 58 -6.603 -3.492 6.012 1.00 55.52 C ATOM 922 NZ LYS A 58 -6.709 -4.249 4.749 1.00 72.23 N ATOM 0 H LYS A 58 -8.543 -6.035 10.259 1.00 42.52 H new ATOM 0 HA LYS A 58 -7.557 -8.082 8.469 1.00 25.50 H new ATOM 0 HB2 LYS A 58 -6.405 -5.504 9.660 1.00 60.41 H new ATOM 0 HB3 LYS A 58 -5.497 -6.549 8.585 1.00 60.41 H new ATOM 0 HG2 LYS A 58 -7.276 -6.163 6.812 1.00 61.24 H new ATOM 0 HG3 LYS A 58 -8.028 -4.999 7.885 1.00 61.24 H new ATOM 0 HD2 LYS A 58 -5.828 -3.749 7.990 1.00 31.21 H new ATOM 0 HD3 LYS A 58 -5.174 -4.869 6.812 1.00 31.21 H new ATOM 0 HE2 LYS A 58 -7.578 -3.084 6.279 1.00 55.52 H new ATOM 0 HE3 LYS A 58 -5.930 -2.645 5.877 1.00 55.52 H new ATOM 0 HZ1 LYS A 58 -6.944 -3.598 3.973 1.00 72.23 H new ATOM 0 HZ2 LYS A 58 -5.802 -4.715 4.547 1.00 72.23 H new ATOM 0 HZ3 LYS A 58 -7.456 -4.968 4.837 1.00 72.23 H new ATOM 936 N LEU A 59 -7.198 -9.207 10.979 1.00 3.05 N ATOM 937 CA LEU A 59 -6.564 -10.091 11.959 1.00 74.31 C ATOM 938 C LEU A 59 -6.103 -11.346 11.274 1.00 20.22 C ATOM 939 O LEU A 59 -5.318 -12.138 11.773 1.00 10.44 O ATOM 940 CB LEU A 59 -7.490 -10.550 13.100 1.00 10.24 C ATOM 941 CG LEU A 59 -8.075 -9.393 13.921 1.00 2.01 C ATOM 942 CD1 LEU A 59 -8.992 -9.916 15.038 1.00 32.31 C ATOM 943 CD2 LEU A 59 -7.157 -8.244 14.330 1.00 74.53 C ATOM 0 H LEU A 59 -8.193 -9.392 10.850 1.00 3.05 H new ATOM 0 HA LEU A 59 -5.754 -9.501 12.387 1.00 74.31 H new ATOM 0 HB2 LEU A 59 -8.308 -11.136 12.680 1.00 10.24 H new ATOM 0 HB3 LEU A 59 -6.933 -11.211 13.765 1.00 10.24 H new ATOM 0 HG LEU A 59 -8.684 -8.854 13.195 1.00 2.01 H new ATOM 0 HD11 LEU A 59 -9.393 -9.075 15.604 1.00 32.31 H new ATOM 0 HD12 LEU A 59 -9.814 -10.482 14.599 1.00 32.31 H new ATOM 0 HD13 LEU A 59 -8.421 -10.563 15.705 1.00 32.31 H new ATOM 0 HD21 LEU A 59 -7.725 -7.511 14.903 1.00 74.53 H new ATOM 0 HD22 LEU A 59 -6.341 -8.630 14.941 1.00 74.53 H new ATOM 0 HD23 LEU A 59 -6.749 -7.769 13.438 1.00 74.53 H new ATOM 955 N GLU A 60 -6.590 -11.499 10.042 1.00 2.31 N ATOM 956 CA GLU A 60 -6.272 -12.555 9.088 1.00 52.30 C ATOM 957 C GLU A 60 -4.816 -12.484 8.687 1.00 41.44 C ATOM 958 O GLU A 60 -4.179 -13.460 8.304 1.00 41.30 O ATOM 959 CB GLU A 60 -7.131 -12.439 7.806 1.00 4.52 C ATOM 960 CG GLU A 60 -8.629 -12.591 8.129 1.00 74.12 C ATOM 961 CD GLU A 60 -9.490 -12.842 6.891 1.00 72.53 C ATOM 962 OE1 GLU A 60 -9.292 -13.904 6.246 1.00 44.24 O ATOM 963 OE2 GLU A 60 -10.357 -11.981 6.592 1.00 45.14 O ATOM 0 H GLU A 60 -7.266 -10.838 9.660 1.00 2.31 H new ATOM 0 HA GLU A 60 -6.485 -13.504 9.581 1.00 52.30 H new ATOM 0 HB2 GLU A 60 -6.954 -11.474 7.332 1.00 4.52 H new ATOM 0 HB3 GLU A 60 -6.830 -13.205 7.092 1.00 4.52 H new ATOM 0 HG2 GLU A 60 -8.761 -13.416 8.829 1.00 74.12 H new ATOM 0 HG3 GLU A 60 -8.979 -11.689 8.630 1.00 74.12 H new ATOM 970 N LEU A 61 -4.313 -11.244 8.760 1.00 13.04 N ATOM 971 CA LEU A 61 -2.984 -10.800 8.398 1.00 2.23 C ATOM 972 C LEU A 61 -1.953 -11.228 9.431 1.00 24.03 C ATOM 973 O LEU A 61 -0.759 -11.302 9.154 1.00 2.14 O ATOM 974 CB LEU A 61 -2.884 -9.267 8.253 1.00 41.44 C ATOM 975 CG LEU A 61 -3.792 -8.566 7.218 1.00 0.54 C ATOM 976 CD1 LEU A 61 -3.027 -7.486 6.447 1.00 52.14 C ATOM 977 CD2 LEU A 61 -4.815 -9.375 6.395 1.00 11.24 C ATOM 0 H LEU A 61 -4.883 -10.471 9.104 1.00 13.04 H new ATOM 0 HA LEU A 61 -2.781 -11.267 7.434 1.00 2.23 H new ATOM 0 HB2 LEU A 61 -3.091 -8.827 9.228 1.00 41.44 H new ATOM 0 HB3 LEU A 61 -1.850 -9.024 8.007 1.00 41.44 H new ATOM 0 HG LEU A 61 -4.533 -8.089 7.860 1.00 0.54 H new ATOM 0 HD11 LEU A 61 -3.694 -7.012 5.727 1.00 52.14 H new ATOM 0 HD12 LEU A 61 -2.654 -6.736 7.145 1.00 52.14 H new ATOM 0 HD13 LEU A 61 -2.188 -7.940 5.920 1.00 52.14 H new ATOM 0 HD21 LEU A 61 -5.355 -8.705 5.726 1.00 11.24 H new ATOM 0 HD22 LEU A 61 -4.293 -10.131 5.809 1.00 11.24 H new ATOM 0 HD23 LEU A 61 -5.521 -9.861 7.068 1.00 11.24 H new ATOM 989 N LEU A 62 -2.423 -11.466 10.669 1.00 10.51 N ATOM 990 CA LEU A 62 -1.668 -11.818 11.854 1.00 61.10 C ATOM 991 C LEU A 62 -1.237 -13.273 11.807 1.00 23.44 C ATOM 992 O LEU A 62 -1.749 -14.090 11.044 1.00 53.02 O ATOM 993 CB LEU A 62 -2.506 -11.583 13.138 1.00 24.41 C ATOM 994 CG LEU A 62 -2.977 -10.120 13.271 1.00 22.45 C ATOM 995 CD1 LEU A 62 -3.987 -9.904 14.409 1.00 64.11 C ATOM 996 CD2 LEU A 62 -1.812 -9.128 13.410 1.00 74.43 C ATOM 0 H LEU A 62 -3.422 -11.409 10.867 1.00 10.51 H new ATOM 0 HA LEU A 62 -0.786 -11.178 11.878 1.00 61.10 H new ATOM 0 HB2 LEU A 62 -3.374 -12.242 13.128 1.00 24.41 H new ATOM 0 HB3 LEU A 62 -1.912 -11.852 14.011 1.00 24.41 H new ATOM 0 HG LEU A 62 -3.490 -9.915 12.331 1.00 22.45 H new ATOM 0 HD11 LEU A 62 -4.275 -8.853 14.445 1.00 64.11 H new ATOM 0 HD12 LEU A 62 -4.871 -10.517 14.232 1.00 64.11 H new ATOM 0 HD13 LEU A 62 -3.532 -10.188 15.358 1.00 64.11 H new ATOM 0 HD21 LEU A 62 -2.205 -8.115 13.500 1.00 74.43 H new ATOM 0 HD22 LEU A 62 -1.231 -9.372 14.299 1.00 74.43 H new ATOM 0 HD23 LEU A 62 -1.173 -9.192 12.530 1.00 74.43 H new ATOM 1008 N ASP A 63 -0.215 -13.635 12.610 1.00 63.32 N ATOM 1009 CA ASP A 63 0.379 -14.953 12.529 1.00 73.40 C ATOM 1010 C ASP A 63 -0.472 -15.984 13.265 1.00 24.03 C ATOM 1011 O ASP A 63 -1.061 -15.713 14.307 1.00 24.23 O ATOM 1012 CB ASP A 63 1.825 -14.962 13.106 1.00 23.31 C ATOM 1013 CG ASP A 63 2.564 -16.252 12.757 1.00 54.53 C ATOM 1014 OD1 ASP A 63 2.773 -17.069 13.692 1.00 1.51 O ATOM 1015 OD2 ASP A 63 2.846 -16.464 11.553 1.00 60.53 O ATOM 0 H ASP A 63 0.203 -13.025 13.313 1.00 63.32 H new ATOM 0 HA ASP A 63 0.424 -15.219 11.473 1.00 73.40 H new ATOM 0 HB2 ASP A 63 2.378 -14.108 12.715 1.00 23.31 H new ATOM 0 HB3 ASP A 63 1.785 -14.847 14.189 1.00 23.31 H new ATOM 1020 N GLN A 64 -0.487 -17.235 12.760 1.00 61.41 N ATOM 1021 CA GLN A 64 -1.187 -18.342 13.375 1.00 35.52 C ATOM 1022 C GLN A 64 -0.702 -18.706 14.776 1.00 75.32 C ATOM 1023 O GLN A 64 -1.492 -19.140 15.609 1.00 42.52 O ATOM 1024 CB GLN A 64 -1.169 -19.572 12.435 1.00 22.14 C ATOM 1025 CG GLN A 64 -1.958 -20.792 12.966 1.00 42.34 C ATOM 1026 CD GLN A 64 -3.426 -20.448 13.266 1.00 74.44 C ATOM 1027 OE1 GLN A 64 -4.217 -20.058 12.402 1.00 22.22 O ATOM 1028 NE2 GLN A 64 -3.798 -20.564 14.568 1.00 52.54 N ATOM 0 H GLN A 64 -0.001 -17.491 11.900 1.00 61.41 H new ATOM 0 HA GLN A 64 -2.213 -18.004 13.519 1.00 35.52 H new ATOM 0 HB2 GLN A 64 -1.580 -19.281 11.468 1.00 22.14 H new ATOM 0 HB3 GLN A 64 -0.134 -19.869 12.265 1.00 22.14 H new ATOM 0 HG2 GLN A 64 -1.918 -21.596 12.231 1.00 42.34 H new ATOM 0 HG3 GLN A 64 -1.481 -21.164 13.873 1.00 42.34 H new ATOM 0 HE21 GLN A 64 -3.126 -20.889 15.263 1.00 52.54 H new ATOM 0 HE22 GLN A 64 -4.749 -20.327 14.850 1.00 52.54 H new ATOM 1037 N ASP A 65 0.592 -18.500 15.111 1.00 4.12 N ATOM 1038 CA ASP A 65 1.151 -18.842 16.417 1.00 75.02 C ATOM 1039 C ASP A 65 0.453 -18.141 17.581 1.00 63.23 C ATOM 1040 O ASP A 65 0.311 -18.723 18.654 1.00 65.45 O ATOM 1041 CB ASP A 65 2.668 -18.508 16.521 1.00 51.33 C ATOM 1042 CG ASP A 65 3.552 -19.454 15.709 1.00 43.42 C ATOM 1043 OD1 ASP A 65 4.771 -19.151 15.621 1.00 15.04 O ATOM 1044 OD2 ASP A 65 3.038 -20.475 15.184 1.00 54.10 O ATOM 0 H ASP A 65 1.272 -18.089 14.472 1.00 4.12 H new ATOM 0 HA ASP A 65 0.991 -19.917 16.494 1.00 75.02 H new ATOM 0 HB2 ASP A 65 2.832 -17.486 16.180 1.00 51.33 H new ATOM 0 HB3 ASP A 65 2.971 -18.547 17.567 1.00 51.33 H new ATOM 1049 N MET A 66 -0.001 -16.875 17.409 1.00 14.44 N ATOM 1050 CA MET A 66 -0.756 -16.195 18.452 1.00 72.04 C ATOM 1051 C MET A 66 -2.205 -16.656 18.531 1.00 43.03 C ATOM 1052 O MET A 66 -2.848 -16.455 19.560 1.00 64.54 O ATOM 1053 CB MET A 66 -0.696 -14.643 18.333 1.00 32.24 C ATOM 1054 CG MET A 66 -1.401 -13.992 17.128 1.00 13.21 C ATOM 1055 SD MET A 66 -1.362 -12.170 17.107 1.00 31.22 S ATOM 1056 CE MET A 66 0.418 -11.953 16.818 1.00 43.21 C ATOM 0 H MET A 66 0.148 -16.323 16.564 1.00 14.44 H new ATOM 0 HA MET A 66 -0.261 -16.479 19.381 1.00 72.04 H new ATOM 0 HB2 MET A 66 -1.124 -14.220 19.242 1.00 32.24 H new ATOM 0 HB3 MET A 66 0.353 -14.348 18.308 1.00 32.24 H new ATOM 0 HG2 MET A 66 -0.939 -14.361 16.212 1.00 13.21 H new ATOM 0 HG3 MET A 66 -2.441 -14.319 17.114 1.00 13.21 H new ATOM 0 HE1 MET A 66 0.614 -10.926 16.509 1.00 43.21 H new ATOM 0 HE2 MET A 66 0.964 -12.166 17.737 1.00 43.21 H new ATOM 0 HE3 MET A 66 0.745 -12.637 16.035 1.00 43.21 H new ATOM 1066 N ASN A 67 -2.716 -17.316 17.459 1.00 13.21 N ATOM 1067 CA ASN A 67 -4.074 -17.805 17.249 1.00 43.24 C ATOM 1068 C ASN A 67 -5.172 -16.752 17.164 1.00 44.04 C ATOM 1069 O ASN A 67 -6.329 -17.055 17.450 1.00 60.51 O ATOM 1070 CB ASN A 67 -4.481 -18.862 18.328 1.00 71.14 C ATOM 1071 CG ASN A 67 -3.628 -20.126 18.225 1.00 73.10 C ATOM 1072 OD1 ASN A 67 -3.915 -21.011 17.416 1.00 50.21 O ATOM 1073 ND2 ASN A 67 -2.550 -20.223 19.040 1.00 64.41 N ATOM 0 H ASN A 67 -2.123 -17.531 16.658 1.00 13.21 H new ATOM 0 HA ASN A 67 -4.011 -18.252 16.257 1.00 43.24 H new ATOM 0 HB2 ASN A 67 -4.372 -18.429 19.322 1.00 71.14 H new ATOM 0 HB3 ASN A 67 -5.533 -19.121 18.206 1.00 71.14 H new ATOM 0 HD21 ASN A 67 -1.949 -21.046 18.995 1.00 64.41 H new ATOM 0 HD22 ASN A 67 -2.340 -19.473 19.699 1.00 64.41 H new ATOM 1080 N LEU A 68 -4.888 -15.494 16.737 1.00 60.33 N ATOM 1081 CA LEU A 68 -5.944 -14.504 16.628 1.00 55.13 C ATOM 1082 C LEU A 68 -6.701 -14.685 15.336 1.00 1.01 C ATOM 1083 O LEU A 68 -6.142 -14.569 14.249 1.00 72.24 O ATOM 1084 CB LEU A 68 -5.418 -13.048 16.663 1.00 44.12 C ATOM 1085 CG LEU A 68 -6.417 -11.979 17.181 1.00 1.01 C ATOM 1086 CD1 LEU A 68 -6.066 -10.546 16.804 1.00 53.03 C ATOM 1087 CD2 LEU A 68 -7.908 -12.331 17.339 1.00 71.02 C ATOM 0 H LEU A 68 -3.959 -15.166 16.474 1.00 60.33 H new ATOM 0 HA LEU A 68 -6.588 -14.662 17.493 1.00 55.13 H new ATOM 0 HB2 LEU A 68 -4.527 -13.019 17.290 1.00 44.12 H new ATOM 0 HB3 LEU A 68 -5.108 -12.770 15.656 1.00 44.12 H new ATOM 0 HG LEU A 68 -6.207 -12.032 18.249 1.00 1.01 H new ATOM 0 HD11 LEU A 68 -6.819 -9.869 17.208 1.00 53.03 H new ATOM 0 HD12 LEU A 68 -5.089 -10.290 17.215 1.00 53.03 H new ATOM 0 HD13 LEU A 68 -6.038 -10.452 15.718 1.00 53.03 H new ATOM 0 HD21 LEU A 68 -8.450 -11.462 17.711 1.00 71.02 H new ATOM 0 HD22 LEU A 68 -8.316 -12.626 16.373 1.00 71.02 H new ATOM 0 HD23 LEU A 68 -8.015 -13.155 18.045 1.00 71.02 H new ATOM 1099 N HIS A 69 -8.018 -14.934 15.434 1.00 21.42 N ATOM 1100 CA HIS A 69 -8.871 -14.888 14.283 1.00 21.41 C ATOM 1101 C HIS A 69 -10.155 -14.262 14.738 1.00 22.43 C ATOM 1102 O HIS A 69 -10.560 -14.384 15.896 1.00 71.42 O ATOM 1103 CB HIS A 69 -9.118 -16.291 13.664 1.00 72.03 C ATOM 1104 CG HIS A 69 -7.890 -16.947 13.073 1.00 52.24 C ATOM 1105 ND1 HIS A 69 -7.451 -16.635 11.816 1.00 60.23 N ATOM 1106 CD2 HIS A 69 -7.057 -17.906 13.548 1.00 61.44 C ATOM 1107 CE1 HIS A 69 -6.406 -17.389 11.526 1.00 0.23 C ATOM 1108 NE2 HIS A 69 -6.150 -18.176 12.555 1.00 32.13 N ATOM 0 H HIS A 69 -8.493 -15.167 16.306 1.00 21.42 H new ATOM 0 HA HIS A 69 -8.400 -14.308 13.490 1.00 21.41 H new ATOM 0 HB2 HIS A 69 -9.528 -16.945 14.433 1.00 72.03 H new ATOM 0 HB3 HIS A 69 -9.875 -16.201 12.885 1.00 72.03 H new ATOM 0 HD2 HIS A 69 -7.100 -18.369 14.523 1.00 61.44 H new ATOM 0 HE1 HIS A 69 -5.852 -17.366 10.599 1.00 0.23 H new ATOM 0 HE2 HIS A 69 -5.403 -18.869 12.603 1.00 32.13 H new ATOM 1117 N HIS A 70 -10.803 -13.513 13.828 1.00 35.41 N ATOM 1118 CA HIS A 70 -11.993 -12.745 14.106 1.00 23.51 C ATOM 1119 C HIS A 70 -13.164 -13.653 14.447 1.00 31.13 C ATOM 1120 O HIS A 70 -13.451 -14.625 13.753 1.00 43.44 O ATOM 1121 CB HIS A 70 -12.302 -11.862 12.882 1.00 22.42 C ATOM 1122 CG HIS A 70 -13.419 -10.866 12.994 1.00 73.03 C ATOM 1123 ND1 HIS A 70 -13.221 -9.522 12.819 1.00 12.12 N ATOM 1124 CD2 HIS A 70 -14.753 -11.056 13.120 1.00 40.20 C ATOM 1125 CE1 HIS A 70 -14.398 -8.926 12.817 1.00 74.24 C ATOM 1126 NE2 HIS A 70 -15.340 -9.825 13.016 1.00 24.15 N ATOM 0 H HIS A 70 -10.492 -13.434 12.860 1.00 35.41 H new ATOM 0 HA HIS A 70 -11.826 -12.110 14.976 1.00 23.51 H new ATOM 0 HB2 HIS A 70 -11.393 -11.317 12.626 1.00 22.42 H new ATOM 0 HB3 HIS A 70 -12.526 -12.521 12.043 1.00 22.42 H new ATOM 0 HD1 HIS A 70 -12.318 -9.061 12.709 1.00 12.12 H new ATOM 0 HD2 HIS A 70 -15.257 -11.999 13.273 1.00 40.20 H new ATOM 0 HE1 HIS A 70 -14.563 -7.868 12.675 1.00 74.24 H new ATOM 1135 N GLY A 71 -13.844 -13.358 15.571 1.00 40.10 N ATOM 1136 CA GLY A 71 -14.963 -14.143 16.081 1.00 71.33 C ATOM 1137 C GLY A 71 -14.583 -15.245 17.043 1.00 0.33 C ATOM 1138 O GLY A 71 -15.447 -15.811 17.705 1.00 51.24 O ATOM 0 H GLY A 71 -13.620 -12.551 16.154 1.00 40.10 H new ATOM 0 HA2 GLY A 71 -15.662 -13.471 16.579 1.00 71.33 H new ATOM 0 HA3 GLY A 71 -15.492 -14.585 15.237 1.00 71.33 H new ATOM 1142 N LYS A 72 -13.279 -15.571 17.177 1.00 10.40 N ATOM 1143 CA LYS A 72 -12.784 -16.702 17.948 1.00 31.43 C ATOM 1144 C LYS A 72 -12.223 -16.237 19.282 1.00 62.44 C ATOM 1145 O LYS A 72 -11.389 -16.906 19.895 1.00 23.14 O ATOM 1146 CB LYS A 72 -11.700 -17.531 17.191 1.00 55.24 C ATOM 1147 CG LYS A 72 -12.203 -18.420 16.028 1.00 51.51 C ATOM 1148 CD LYS A 72 -12.650 -17.697 14.746 1.00 15.30 C ATOM 1149 CE LYS A 72 -13.081 -18.632 13.609 1.00 0.05 C ATOM 1150 NZ LYS A 72 -11.947 -19.455 13.144 1.00 75.53 N ATOM 0 H LYS A 72 -12.533 -15.033 16.736 1.00 10.40 H new ATOM 0 HA LYS A 72 -13.641 -17.356 18.110 1.00 31.43 H new ATOM 0 HB2 LYS A 72 -10.955 -16.840 16.796 1.00 55.24 H new ATOM 0 HB3 LYS A 72 -11.191 -18.169 17.914 1.00 55.24 H new ATOM 0 HG2 LYS A 72 -11.408 -19.117 15.765 1.00 51.51 H new ATOM 0 HG3 LYS A 72 -13.041 -19.014 16.393 1.00 51.51 H new ATOM 0 HD2 LYS A 72 -13.480 -17.033 14.988 1.00 15.30 H new ATOM 0 HD3 LYS A 72 -11.832 -17.069 14.393 1.00 15.30 H new ATOM 0 HE2 LYS A 72 -13.889 -19.279 13.951 1.00 0.05 H new ATOM 0 HE3 LYS A 72 -13.473 -18.045 12.779 1.00 0.05 H new ATOM 0 HZ1 LYS A 72 -12.220 -19.966 12.280 1.00 75.53 H new ATOM 0 HZ2 LYS A 72 -11.133 -18.841 12.940 1.00 75.53 H new ATOM 0 HZ3 LYS A 72 -11.688 -20.139 13.883 1.00 75.53 H new ATOM 1164 N ALA A 73 -12.703 -15.075 19.789 1.00 14.25 N ATOM 1165 CA ALA A 73 -12.188 -14.414 20.974 1.00 74.14 C ATOM 1166 C ALA A 73 -12.211 -15.257 22.206 1.00 13.41 C ATOM 1167 O ALA A 73 -11.224 -15.287 22.922 1.00 3.41 O ATOM 1168 CB ALA A 73 -12.973 -13.138 21.324 1.00 2.20 C ATOM 0 H ALA A 73 -13.480 -14.573 19.360 1.00 14.25 H new ATOM 0 HA ALA A 73 -11.158 -14.191 20.698 1.00 74.14 H new ATOM 0 HB1 ALA A 73 -12.547 -12.683 22.218 1.00 2.20 H new ATOM 0 HB2 ALA A 73 -12.912 -12.434 20.494 1.00 2.20 H new ATOM 0 HB3 ALA A 73 -14.017 -13.392 21.508 1.00 2.20 H new ATOM 1174 N MET A 74 -13.292 -16.010 22.480 1.00 34.24 N ATOM 1175 CA MET A 74 -13.353 -16.797 23.703 1.00 22.42 C ATOM 1176 C MET A 74 -12.239 -17.843 23.780 1.00 1.01 C ATOM 1177 O MET A 74 -11.651 -18.059 24.836 1.00 63.12 O ATOM 1178 CB MET A 74 -14.718 -17.508 23.878 1.00 72.12 C ATOM 1179 CG MET A 74 -15.886 -16.530 24.118 1.00 22.32 C ATOM 1180 SD MET A 74 -17.486 -17.326 24.472 1.00 51.12 S ATOM 1181 CE MET A 74 -17.762 -18.104 22.854 1.00 51.21 C ATOM 0 H MET A 74 -14.113 -16.083 21.879 1.00 34.24 H new ATOM 0 HA MET A 74 -13.220 -16.078 24.511 1.00 22.42 H new ATOM 0 HB2 MET A 74 -14.927 -18.103 22.989 1.00 72.12 H new ATOM 0 HB3 MET A 74 -14.655 -18.201 24.717 1.00 72.12 H new ATOM 0 HG2 MET A 74 -15.629 -15.876 24.951 1.00 22.32 H new ATOM 0 HG3 MET A 74 -15.998 -15.896 23.238 1.00 22.32 H new ATOM 0 HE1 MET A 74 -18.794 -18.448 22.787 1.00 51.21 H new ATOM 0 HE2 MET A 74 -17.570 -17.378 22.064 1.00 51.21 H new ATOM 0 HE3 MET A 74 -17.088 -18.953 22.739 1.00 51.21 H new ATOM 1191 N GLU A 75 -11.911 -18.488 22.637 1.00 52.11 N ATOM 1192 CA GLU A 75 -10.831 -19.463 22.544 1.00 61.50 C ATOM 1193 C GLU A 75 -9.446 -18.821 22.552 1.00 53.20 C ATOM 1194 O GLU A 75 -8.551 -19.251 23.277 1.00 72.33 O ATOM 1195 CB GLU A 75 -10.973 -20.317 21.255 1.00 34.30 C ATOM 1196 CG GLU A 75 -12.209 -21.254 21.239 1.00 31.32 C ATOM 1197 CD GLU A 75 -12.122 -22.380 22.272 1.00 62.42 C ATOM 1198 OE1 GLU A 75 -11.202 -23.228 22.140 1.00 63.33 O ATOM 1199 OE2 GLU A 75 -12.987 -22.405 23.185 1.00 24.13 O ATOM 0 H GLU A 75 -12.399 -18.336 21.754 1.00 52.11 H new ATOM 0 HA GLU A 75 -10.918 -20.091 23.431 1.00 61.50 H new ATOM 0 HB2 GLU A 75 -11.028 -19.649 20.396 1.00 34.30 H new ATOM 0 HB3 GLU A 75 -10.073 -20.920 21.133 1.00 34.30 H new ATOM 0 HG2 GLU A 75 -13.107 -20.665 21.427 1.00 31.32 H new ATOM 0 HG3 GLU A 75 -12.315 -21.688 20.245 1.00 31.32 H new ATOM 1206 N PHE A 76 -9.261 -17.738 21.763 1.00 42.11 N ATOM 1207 CA PHE A 76 -8.055 -16.929 21.678 1.00 41.31 C ATOM 1208 C PHE A 76 -7.693 -16.264 22.992 1.00 45.34 C ATOM 1209 O PHE A 76 -6.540 -16.310 23.411 1.00 15.01 O ATOM 1210 CB PHE A 76 -8.214 -15.896 20.525 1.00 74.22 C ATOM 1211 CG PHE A 76 -7.110 -14.865 20.456 1.00 73.33 C ATOM 1212 CD1 PHE A 76 -5.799 -15.126 20.036 1.00 3.23 C ATOM 1213 CD2 PHE A 76 -7.424 -13.572 20.875 1.00 13.03 C ATOM 1214 CE1 PHE A 76 -4.858 -14.084 19.962 1.00 60.32 C ATOM 1215 CE2 PHE A 76 -6.474 -12.557 20.889 1.00 60.21 C ATOM 1216 CZ PHE A 76 -5.188 -12.801 20.408 1.00 61.45 C ATOM 0 H PHE A 76 -9.996 -17.399 21.142 1.00 42.11 H new ATOM 0 HA PHE A 76 -7.217 -17.590 21.455 1.00 41.31 H new ATOM 0 HB2 PHE A 76 -8.255 -16.431 19.576 1.00 74.22 H new ATOM 0 HB3 PHE A 76 -9.168 -15.382 20.642 1.00 74.22 H new ATOM 0 HD1 PHE A 76 -5.510 -16.132 19.768 1.00 3.23 H new ATOM 0 HD2 PHE A 76 -8.432 -13.354 21.197 1.00 13.03 H new ATOM 0 HE1 PHE A 76 -3.875 -14.276 19.558 1.00 60.32 H new ATOM 0 HE2 PHE A 76 -6.732 -11.581 21.272 1.00 60.21 H new ATOM 0 HZ PHE A 76 -4.455 -12.008 20.380 1.00 61.45 H new ATOM 1226 N ALA A 77 -8.671 -15.663 23.701 1.00 40.04 N ATOM 1227 CA ALA A 77 -8.445 -14.976 24.952 1.00 4.43 C ATOM 1228 C ALA A 77 -7.820 -15.875 26.012 1.00 23.20 C ATOM 1229 O ALA A 77 -6.876 -15.483 26.699 1.00 31.11 O ATOM 1230 CB ALA A 77 -9.798 -14.422 25.434 1.00 24.23 C ATOM 0 H ALA A 77 -9.646 -15.651 23.401 1.00 40.04 H new ATOM 0 HA ALA A 77 -7.730 -14.169 24.789 1.00 4.43 H new ATOM 0 HB1 ALA A 77 -9.660 -13.896 26.379 1.00 24.23 H new ATOM 0 HB2 ALA A 77 -10.195 -13.732 24.689 1.00 24.23 H new ATOM 0 HB3 ALA A 77 -10.499 -15.245 25.575 1.00 24.23 H new ATOM 1236 N MET A 78 -8.299 -17.139 26.108 1.00 54.50 N ATOM 1237 CA MET A 78 -7.736 -18.156 26.977 1.00 33.30 C ATOM 1238 C MET A 78 -6.306 -18.553 26.640 1.00 50.55 C ATOM 1239 O MET A 78 -5.490 -18.752 27.540 1.00 3.34 O ATOM 1240 CB MET A 78 -8.638 -19.412 27.054 1.00 72.51 C ATOM 1241 CG MET A 78 -9.954 -19.132 27.812 1.00 25.43 C ATOM 1242 SD MET A 78 -10.961 -20.618 28.133 1.00 32.41 S ATOM 1243 CE MET A 78 -11.469 -21.012 26.435 1.00 45.15 C ATOM 0 H MET A 78 -9.100 -17.468 25.568 1.00 54.50 H new ATOM 0 HA MET A 78 -7.697 -17.683 27.958 1.00 33.30 H new ATOM 0 HB2 MET A 78 -8.867 -19.757 26.046 1.00 72.51 H new ATOM 0 HB3 MET A 78 -8.097 -20.217 27.551 1.00 72.51 H new ATOM 0 HG2 MET A 78 -9.718 -18.654 28.763 1.00 25.43 H new ATOM 0 HG3 MET A 78 -10.548 -18.422 27.237 1.00 25.43 H new ATOM 0 HE1 MET A 78 -12.556 -20.969 26.361 1.00 45.15 H new ATOM 0 HE2 MET A 78 -11.029 -20.290 25.747 1.00 45.15 H new ATOM 0 HE3 MET A 78 -11.127 -22.014 26.176 1.00 45.15 H new ATOM 1253 N LYS A 79 -5.935 -18.625 25.338 1.00 14.13 N ATOM 1254 CA LYS A 79 -4.567 -18.907 24.903 1.00 63.14 C ATOM 1255 C LYS A 79 -3.573 -17.848 25.377 1.00 22.34 C ATOM 1256 O LYS A 79 -2.393 -18.127 25.578 1.00 13.04 O ATOM 1257 CB LYS A 79 -4.459 -19.005 23.356 1.00 10.40 C ATOM 1258 CG LYS A 79 -5.160 -20.215 22.706 1.00 11.42 C ATOM 1259 CD LYS A 79 -4.472 -21.574 22.950 1.00 63.11 C ATOM 1260 CE LYS A 79 -5.042 -22.374 24.124 1.00 21.25 C ATOM 1261 NZ LYS A 79 -4.313 -23.651 24.250 1.00 12.31 N ATOM 0 H LYS A 79 -6.587 -18.487 24.566 1.00 14.13 H new ATOM 0 HA LYS A 79 -4.316 -19.866 25.355 1.00 63.14 H new ATOM 0 HB2 LYS A 79 -4.874 -18.094 22.924 1.00 10.40 H new ATOM 0 HB3 LYS A 79 -3.403 -19.033 23.086 1.00 10.40 H new ATOM 0 HG2 LYS A 79 -6.182 -20.269 23.082 1.00 11.42 H new ATOM 0 HG3 LYS A 79 -5.224 -20.045 21.631 1.00 11.42 H new ATOM 0 HD2 LYS A 79 -4.553 -22.175 22.044 1.00 63.11 H new ATOM 0 HD3 LYS A 79 -3.410 -21.403 23.125 1.00 63.11 H new ATOM 0 HE2 LYS A 79 -4.953 -21.800 25.046 1.00 21.25 H new ATOM 0 HE3 LYS A 79 -6.104 -22.563 23.967 1.00 21.25 H new ATOM 0 HZ1 LYS A 79 -4.700 -24.195 25.048 1.00 12.31 H new ATOM 0 HZ2 LYS A 79 -4.420 -24.200 23.373 1.00 12.31 H new ATOM 0 HZ3 LYS A 79 -3.305 -23.460 24.418 1.00 12.31 H new ATOM 1275 N HIS A 80 -4.054 -16.606 25.591 1.00 34.22 N ATOM 1276 CA HIS A 80 -3.281 -15.470 26.049 1.00 71.33 C ATOM 1277 C HIS A 80 -3.329 -15.237 27.541 1.00 22.41 C ATOM 1278 O HIS A 80 -2.900 -14.193 28.028 1.00 53.14 O ATOM 1279 CB HIS A 80 -3.712 -14.217 25.272 1.00 63.42 C ATOM 1280 CG HIS A 80 -3.191 -14.320 23.863 1.00 11.25 C ATOM 1281 ND1 HIS A 80 -1.888 -14.018 23.569 1.00 70.31 N ATOM 1282 CD2 HIS A 80 -3.676 -15.011 22.809 1.00 61.40 C ATOM 1283 CE1 HIS A 80 -1.595 -14.506 22.376 1.00 64.01 C ATOM 1284 NE2 HIS A 80 -2.659 -15.122 21.900 1.00 72.33 N ATOM 0 H HIS A 80 -5.036 -16.374 25.438 1.00 34.22 H new ATOM 0 HA HIS A 80 -2.235 -15.699 25.844 1.00 71.33 H new ATOM 0 HB2 HIS A 80 -4.799 -14.130 25.268 1.00 63.42 H new ATOM 0 HB3 HIS A 80 -3.322 -13.321 25.754 1.00 63.42 H new ATOM 0 HD2 HIS A 80 -4.677 -15.402 22.703 1.00 61.40 H new ATOM 0 HE1 HIS A 80 -0.643 -14.415 21.875 1.00 64.01 H new ATOM 0 HE2 HIS A 80 -2.715 -15.602 21.002 1.00 72.33 H new ATOM 1293 N GLY A 81 -3.802 -16.230 28.325 1.00 12.21 N ATOM 1294 CA GLY A 81 -3.624 -16.219 29.769 1.00 1.24 C ATOM 1295 C GLY A 81 -4.806 -15.699 30.519 1.00 65.14 C ATOM 1296 O GLY A 81 -4.815 -15.712 31.747 1.00 11.24 O ATOM 0 H GLY A 81 -4.307 -17.042 27.970 1.00 12.21 H new ATOM 0 HA2 GLY A 81 -3.409 -17.233 30.107 1.00 1.24 H new ATOM 0 HA3 GLY A 81 -2.754 -15.610 30.014 1.00 1.24 H new ATOM 1300 N ALA A 82 -5.865 -15.255 29.812 1.00 53.43 N ATOM 1301 CA ALA A 82 -7.148 -15.037 30.453 1.00 24.14 C ATOM 1302 C ALA A 82 -7.784 -16.358 30.913 1.00 42.15 C ATOM 1303 O ALA A 82 -7.680 -17.387 30.252 1.00 23.43 O ATOM 1304 CB ALA A 82 -8.114 -14.314 29.496 1.00 71.04 C ATOM 0 H ALA A 82 -5.845 -15.047 28.814 1.00 53.43 H new ATOM 0 HA ALA A 82 -6.968 -14.416 31.331 1.00 24.14 H new ATOM 0 HB1 ALA A 82 -9.071 -14.159 29.994 1.00 71.04 H new ATOM 0 HB2 ALA A 82 -7.692 -13.350 29.213 1.00 71.04 H new ATOM 0 HB3 ALA A 82 -8.264 -14.921 28.603 1.00 71.04 H new ATOM 1310 N ASP A 83 -8.483 -16.378 32.073 1.00 62.03 N ATOM 1311 CA ASP A 83 -9.293 -17.528 32.451 1.00 35.51 C ATOM 1312 C ASP A 83 -10.624 -17.441 31.717 1.00 41.05 C ATOM 1313 O ASP A 83 -10.936 -16.430 31.094 1.00 14.52 O ATOM 1314 CB ASP A 83 -9.545 -17.604 33.977 1.00 2.33 C ATOM 1315 CG ASP A 83 -8.226 -17.775 34.723 1.00 5.11 C ATOM 1316 OD1 ASP A 83 -7.887 -16.860 35.516 1.00 13.31 O ATOM 1317 OD2 ASP A 83 -7.578 -18.835 34.530 1.00 5.04 O ATOM 0 H ASP A 83 -8.494 -15.613 32.747 1.00 62.03 H new ATOM 0 HA ASP A 83 -8.749 -18.431 32.175 1.00 35.51 H new ATOM 0 HB2 ASP A 83 -10.047 -16.698 34.315 1.00 2.33 H new ATOM 0 HB3 ASP A 83 -10.209 -18.439 34.202 1.00 2.33 H new ATOM 1322 N GLU A 84 -11.463 -18.501 31.774 1.00 44.22 N ATOM 1323 CA GLU A 84 -12.686 -18.582 30.981 1.00 20.24 C ATOM 1324 C GLU A 84 -13.697 -17.510 31.352 1.00 64.51 C ATOM 1325 O GLU A 84 -14.394 -16.956 30.506 1.00 12.12 O ATOM 1326 CB GLU A 84 -13.327 -19.999 31.059 1.00 4.15 C ATOM 1327 CG GLU A 84 -13.828 -20.439 32.456 1.00 55.53 C ATOM 1328 CD GLU A 84 -14.385 -21.866 32.454 1.00 52.42 C ATOM 1329 OE1 GLU A 84 -13.794 -22.719 33.166 1.00 71.10 O ATOM 1330 OE2 GLU A 84 -15.405 -22.102 31.758 1.00 0.04 O ATOM 0 H GLU A 84 -11.302 -19.313 32.370 1.00 44.22 H new ATOM 0 HA GLU A 84 -12.391 -18.398 29.948 1.00 20.24 H new ATOM 0 HB2 GLU A 84 -14.167 -20.035 30.365 1.00 4.15 H new ATOM 0 HB3 GLU A 84 -12.595 -20.727 30.711 1.00 4.15 H new ATOM 0 HG2 GLU A 84 -13.008 -20.373 33.171 1.00 55.53 H new ATOM 0 HG3 GLU A 84 -14.602 -19.750 32.795 1.00 55.53 H new ATOM 1337 N ALA A 85 -13.731 -17.168 32.655 1.00 31.02 N ATOM 1338 CA ALA A 85 -14.495 -16.087 33.232 1.00 42.21 C ATOM 1339 C ALA A 85 -13.993 -14.719 32.796 1.00 15.11 C ATOM 1340 O ALA A 85 -14.759 -13.822 32.457 1.00 71.31 O ATOM 1341 CB ALA A 85 -14.439 -16.214 34.765 1.00 64.13 C ATOM 0 H ALA A 85 -13.191 -17.677 33.355 1.00 31.02 H new ATOM 0 HA ALA A 85 -15.522 -16.165 32.877 1.00 42.21 H new ATOM 0 HB1 ALA A 85 -15.011 -15.405 35.218 1.00 64.13 H new ATOM 0 HB2 ALA A 85 -14.863 -17.172 35.066 1.00 64.13 H new ATOM 0 HB3 ALA A 85 -13.403 -16.156 35.097 1.00 64.13 H new ATOM 1347 N MET A 86 -12.657 -14.531 32.787 1.00 51.02 N ATOM 1348 CA MET A 86 -12.017 -13.294 32.400 1.00 34.53 C ATOM 1349 C MET A 86 -12.138 -13.037 30.905 1.00 11.42 C ATOM 1350 O MET A 86 -12.306 -11.903 30.461 1.00 45.51 O ATOM 1351 CB MET A 86 -10.532 -13.276 32.803 1.00 60.20 C ATOM 1352 CG MET A 86 -10.287 -13.427 34.320 1.00 30.24 C ATOM 1353 SD MET A 86 -11.239 -12.315 35.394 1.00 23.15 S ATOM 1354 CE MET A 86 -10.387 -12.807 36.919 1.00 44.50 C ATOM 0 H MET A 86 -11.996 -15.260 33.057 1.00 51.02 H new ATOM 0 HA MET A 86 -12.538 -12.499 32.933 1.00 34.53 H new ATOM 0 HB2 MET A 86 -10.015 -14.081 32.281 1.00 60.20 H new ATOM 0 HB3 MET A 86 -10.087 -12.340 32.466 1.00 60.20 H new ATOM 0 HG2 MET A 86 -10.512 -14.455 34.604 1.00 30.24 H new ATOM 0 HG3 MET A 86 -9.226 -13.268 34.514 1.00 30.24 H new ATOM 0 HE1 MET A 86 -10.798 -12.250 37.761 1.00 44.50 H new ATOM 0 HE2 MET A 86 -10.528 -13.875 37.086 1.00 44.50 H new ATOM 0 HE3 MET A 86 -9.322 -12.592 36.827 1.00 44.50 H new ATOM 1364 N ALA A 87 -12.068 -14.114 30.092 1.00 14.21 N ATOM 1365 CA ALA A 87 -12.267 -14.091 28.657 1.00 52.21 C ATOM 1366 C ALA A 87 -13.641 -13.571 28.260 1.00 62.01 C ATOM 1367 O ALA A 87 -13.762 -12.695 27.404 1.00 73.10 O ATOM 1368 CB ALA A 87 -12.100 -15.526 28.112 1.00 34.20 C ATOM 0 H ALA A 87 -11.863 -15.048 30.446 1.00 14.21 H new ATOM 0 HA ALA A 87 -11.527 -13.412 28.233 1.00 52.21 H new ATOM 0 HB1 ALA A 87 -12.247 -15.524 27.032 1.00 34.20 H new ATOM 0 HB2 ALA A 87 -11.098 -15.888 28.341 1.00 34.20 H new ATOM 0 HB3 ALA A 87 -12.837 -16.180 28.578 1.00 34.20 H new ATOM 1374 N LYS A 88 -14.709 -14.066 28.929 1.00 30.13 N ATOM 1375 CA LYS A 88 -16.071 -13.621 28.712 1.00 43.23 C ATOM 1376 C LYS A 88 -16.331 -12.266 29.342 1.00 35.32 C ATOM 1377 O LYS A 88 -17.166 -11.508 28.857 1.00 21.14 O ATOM 1378 CB LYS A 88 -17.121 -14.669 29.185 1.00 75.23 C ATOM 1379 CG LYS A 88 -17.200 -14.939 30.697 1.00 21.14 C ATOM 1380 CD LYS A 88 -18.230 -16.026 31.053 1.00 53.43 C ATOM 1381 CE LYS A 88 -18.467 -16.202 32.553 1.00 23.03 C ATOM 1382 NZ LYS A 88 -19.520 -17.215 32.769 1.00 25.23 N ATOM 0 H LYS A 88 -14.629 -14.794 29.639 1.00 30.13 H new ATOM 0 HA LYS A 88 -16.188 -13.513 27.634 1.00 43.23 H new ATOM 0 HB2 LYS A 88 -18.104 -14.341 28.847 1.00 75.23 H new ATOM 0 HB3 LYS A 88 -16.909 -15.613 28.682 1.00 75.23 H new ATOM 0 HG2 LYS A 88 -16.218 -15.242 31.060 1.00 21.14 H new ATOM 0 HG3 LYS A 88 -17.459 -14.015 31.214 1.00 21.14 H new ATOM 0 HD2 LYS A 88 -19.178 -15.782 30.574 1.00 53.43 H new ATOM 0 HD3 LYS A 88 -17.897 -16.976 30.636 1.00 53.43 H new ATOM 0 HE2 LYS A 88 -17.544 -16.511 33.044 1.00 23.03 H new ATOM 0 HE3 LYS A 88 -18.764 -15.253 32.999 1.00 23.03 H new ATOM 0 HZ1 LYS A 88 -19.682 -17.335 33.789 1.00 25.23 H new ATOM 0 HZ2 LYS A 88 -20.401 -16.903 32.313 1.00 25.23 H new ATOM 0 HZ3 LYS A 88 -19.220 -18.121 32.357 1.00 25.23 H new ATOM 1396 N GLN A 89 -15.577 -11.882 30.402 1.00 70.41 N ATOM 1397 CA GLN A 89 -15.587 -10.547 30.958 1.00 24.12 C ATOM 1398 C GLN A 89 -15.158 -9.459 30.002 1.00 41.41 C ATOM 1399 O GLN A 89 -15.815 -8.424 29.957 1.00 10.31 O ATOM 1400 CB GLN A 89 -14.760 -10.454 32.265 1.00 51.13 C ATOM 1401 CG GLN A 89 -14.695 -9.026 32.849 1.00 20.51 C ATOM 1402 CD GLN A 89 -14.285 -8.982 34.320 1.00 2.32 C ATOM 1403 OE1 GLN A 89 -15.024 -8.491 35.175 1.00 14.24 O ATOM 1404 NE2 GLN A 89 -13.075 -9.505 34.633 1.00 65.42 N ATOM 0 H GLN A 89 -14.942 -12.517 30.887 1.00 70.41 H new ATOM 0 HA GLN A 89 -16.639 -10.365 31.180 1.00 24.12 H new ATOM 0 HB2 GLN A 89 -15.193 -11.123 33.009 1.00 51.13 H new ATOM 0 HB3 GLN A 89 -13.747 -10.806 32.071 1.00 51.13 H new ATOM 0 HG2 GLN A 89 -13.987 -8.436 32.266 1.00 20.51 H new ATOM 0 HG3 GLN A 89 -15.671 -8.553 32.739 1.00 20.51 H new ATOM 0 HE21 GLN A 89 -12.487 -9.904 33.901 1.00 65.42 H new ATOM 0 HE22 GLN A 89 -12.752 -9.500 35.600 1.00 65.42 H new ATOM 1413 N LEU A 90 -14.102 -9.631 29.169 1.00 64.44 N ATOM 1414 CA LEU A 90 -13.733 -8.633 28.206 1.00 30.41 C ATOM 1415 C LEU A 90 -14.825 -8.395 27.172 1.00 33.33 C ATOM 1416 O LEU A 90 -15.169 -7.263 26.836 1.00 14.32 O ATOM 1417 CB LEU A 90 -12.419 -9.061 27.530 1.00 31.54 C ATOM 1418 CG LEU A 90 -11.143 -9.110 28.407 1.00 64.35 C ATOM 1419 CD1 LEU A 90 -9.923 -9.432 27.522 1.00 63.25 C ATOM 1420 CD2 LEU A 90 -10.875 -7.854 29.255 1.00 14.11 C ATOM 0 H LEU A 90 -13.508 -10.460 29.166 1.00 64.44 H new ATOM 0 HA LEU A 90 -13.594 -7.685 28.725 1.00 30.41 H new ATOM 0 HB2 LEU A 90 -12.569 -10.051 27.101 1.00 31.54 H new ATOM 0 HB3 LEU A 90 -12.230 -8.379 26.701 1.00 31.54 H new ATOM 0 HG LEU A 90 -11.319 -9.901 29.136 1.00 64.35 H new ATOM 0 HD11 LEU A 90 -9.025 -9.467 28.139 1.00 63.25 H new ATOM 0 HD12 LEU A 90 -10.069 -10.398 27.039 1.00 63.25 H new ATOM 0 HD13 LEU A 90 -9.811 -8.659 26.761 1.00 63.25 H new ATOM 0 HD21 LEU A 90 -9.960 -7.992 29.830 1.00 14.11 H new ATOM 0 HD22 LEU A 90 -10.765 -6.990 28.600 1.00 14.11 H new ATOM 0 HD23 LEU A 90 -11.710 -7.690 29.936 1.00 14.11 H new ATOM 1432 N LEU A 91 -15.453 -9.481 26.694 1.00 70.25 N ATOM 1433 CA LEU A 91 -16.607 -9.425 25.823 1.00 4.15 C ATOM 1434 C LEU A 91 -17.820 -8.785 26.521 1.00 21.40 C ATOM 1435 O LEU A 91 -18.519 -7.959 25.938 1.00 14.01 O ATOM 1436 CB LEU A 91 -16.869 -10.863 25.305 1.00 22.13 C ATOM 1437 CG LEU A 91 -15.748 -11.370 24.359 1.00 2.13 C ATOM 1438 CD1 LEU A 91 -15.543 -12.888 24.429 1.00 42.11 C ATOM 1439 CD2 LEU A 91 -16.054 -10.985 22.911 1.00 2.42 C ATOM 0 H LEU A 91 -15.157 -10.432 26.914 1.00 70.25 H new ATOM 0 HA LEU A 91 -16.418 -8.774 24.969 1.00 4.15 H new ATOM 0 HB2 LEU A 91 -16.957 -11.541 26.154 1.00 22.13 H new ATOM 0 HB3 LEU A 91 -17.823 -10.887 24.778 1.00 22.13 H new ATOM 0 HG LEU A 91 -14.830 -10.891 24.699 1.00 2.13 H new ATOM 0 HD11 LEU A 91 -14.746 -13.179 23.745 1.00 42.11 H new ATOM 0 HD12 LEU A 91 -15.270 -13.172 25.445 1.00 42.11 H new ATOM 0 HD13 LEU A 91 -16.467 -13.393 24.147 1.00 42.11 H new ATOM 0 HD21 LEU A 91 -15.257 -11.349 22.262 1.00 2.42 H new ATOM 0 HD22 LEU A 91 -17.001 -11.431 22.608 1.00 2.42 H new ATOM 0 HD23 LEU A 91 -16.122 -9.900 22.830 1.00 2.42 H new ATOM 1451 N ASP A 92 -18.067 -9.103 27.819 1.00 35.22 N ATOM 1452 CA ASP A 92 -19.111 -8.506 28.640 1.00 23.44 C ATOM 1453 C ASP A 92 -18.897 -7.005 28.864 1.00 42.24 C ATOM 1454 O ASP A 92 -19.845 -6.236 28.741 1.00 41.11 O ATOM 1455 CB ASP A 92 -19.215 -9.268 29.994 1.00 53.31 C ATOM 1456 CG ASP A 92 -20.427 -8.863 30.833 1.00 24.45 C ATOM 1457 OD1 ASP A 92 -21.568 -9.049 30.338 1.00 51.21 O ATOM 1458 OD2 ASP A 92 -20.214 -8.391 31.978 1.00 15.22 O ATOM 0 H ASP A 92 -17.521 -9.803 28.321 1.00 35.22 H new ATOM 0 HA ASP A 92 -20.053 -8.601 28.101 1.00 23.44 H new ATOM 0 HB2 ASP A 92 -19.262 -10.339 29.796 1.00 53.31 H new ATOM 0 HB3 ASP A 92 -18.308 -9.090 30.572 1.00 53.31 H new ATOM 1463 N ILE A 93 -17.645 -6.547 29.143 1.00 4.10 N ATOM 1464 CA ILE A 93 -17.292 -5.129 29.287 1.00 54.14 C ATOM 1465 C ILE A 93 -17.607 -4.384 28.017 1.00 62.21 C ATOM 1466 O ILE A 93 -18.209 -3.314 28.055 1.00 12.45 O ATOM 1467 CB ILE A 93 -15.803 -4.875 29.562 1.00 73.41 C ATOM 1468 CG1 ILE A 93 -15.346 -5.334 30.963 1.00 74.13 C ATOM 1469 CG2 ILE A 93 -15.426 -3.383 29.371 1.00 42.40 C ATOM 1470 CD1 ILE A 93 -13.814 -5.393 31.135 1.00 52.41 C ATOM 0 H ILE A 93 -16.850 -7.172 29.274 1.00 4.10 H new ATOM 0 HA ILE A 93 -17.875 -4.787 30.142 1.00 54.14 H new ATOM 0 HB ILE A 93 -15.279 -5.483 28.825 1.00 73.41 H new ATOM 0 HG12 ILE A 93 -15.759 -4.655 31.709 1.00 74.13 H new ATOM 0 HG13 ILE A 93 -15.762 -6.321 31.164 1.00 74.13 H new ATOM 0 HG21 ILE A 93 -14.364 -3.247 29.575 1.00 42.40 H new ATOM 0 HG22 ILE A 93 -15.640 -3.082 28.345 1.00 42.40 H new ATOM 0 HG23 ILE A 93 -16.009 -2.770 30.058 1.00 42.40 H new ATOM 0 HD11 ILE A 93 -13.574 -5.724 32.145 1.00 52.41 H new ATOM 0 HD12 ILE A 93 -13.394 -6.094 30.414 1.00 52.41 H new ATOM 0 HD13 ILE A 93 -13.391 -4.403 30.967 1.00 52.41 H new ATOM 1482 N LYS A 94 -17.239 -4.954 26.849 1.00 30.24 N ATOM 1483 CA LYS A 94 -17.460 -4.327 25.570 1.00 61.03 C ATOM 1484 C LYS A 94 -18.909 -4.051 25.323 1.00 21.21 C ATOM 1485 O LYS A 94 -19.315 -2.906 25.168 1.00 23.34 O ATOM 1486 CB LYS A 94 -16.959 -5.263 24.437 1.00 44.15 C ATOM 1487 CG LYS A 94 -17.353 -4.754 23.050 1.00 51.23 C ATOM 1488 CD LYS A 94 -16.949 -5.596 21.839 1.00 53.25 C ATOM 1489 CE LYS A 94 -17.679 -4.970 20.661 1.00 4.42 C ATOM 1490 NZ LYS A 94 -17.008 -5.222 19.381 1.00 30.24 N ATOM 0 H LYS A 94 -16.781 -5.863 26.789 1.00 30.24 H new ATOM 0 HA LYS A 94 -16.915 -3.383 25.578 1.00 61.03 H new ATOM 0 HB2 LYS A 94 -15.874 -5.352 24.495 1.00 44.15 H new ATOM 0 HB3 LYS A 94 -17.369 -6.262 24.585 1.00 44.15 H new ATOM 0 HG2 LYS A 94 -18.437 -4.639 23.031 1.00 51.23 H new ATOM 0 HG3 LYS A 94 -16.925 -3.760 22.924 1.00 51.23 H new ATOM 0 HD2 LYS A 94 -15.870 -5.578 21.689 1.00 53.25 H new ATOM 0 HD3 LYS A 94 -17.235 -6.639 21.971 1.00 53.25 H new ATOM 0 HE2 LYS A 94 -18.695 -5.363 20.618 1.00 4.42 H new ATOM 0 HE3 LYS A 94 -17.760 -3.895 20.819 1.00 4.42 H new ATOM 0 HZ1 LYS A 94 -17.313 -4.513 18.684 1.00 30.24 H new ATOM 0 HZ2 LYS A 94 -15.978 -5.159 19.511 1.00 30.24 H new ATOM 0 HZ3 LYS A 94 -17.257 -6.172 19.040 1.00 30.24 H new ATOM 1504 N HIS A 95 -19.751 -5.087 25.387 1.00 53.42 N ATOM 1505 CA HIS A 95 -21.145 -4.983 25.062 1.00 40.44 C ATOM 1506 C HIS A 95 -21.880 -4.136 26.089 1.00 4.24 C ATOM 1507 O HIS A 95 -22.841 -3.443 25.764 1.00 63.01 O ATOM 1508 CB HIS A 95 -21.740 -6.394 24.900 1.00 71.42 C ATOM 1509 CG HIS A 95 -21.186 -7.086 23.678 1.00 43.35 C ATOM 1510 ND1 HIS A 95 -21.408 -6.612 22.414 1.00 30.13 N ATOM 1511 CD2 HIS A 95 -20.341 -8.135 23.554 1.00 73.31 C ATOM 1512 CE1 HIS A 95 -20.722 -7.341 21.556 1.00 53.03 C ATOM 1513 NE2 HIS A 95 -20.062 -8.267 22.220 1.00 63.22 N ATOM 0 H HIS A 95 -19.464 -6.024 25.671 1.00 53.42 H new ATOM 0 HA HIS A 95 -21.266 -4.467 24.110 1.00 40.44 H new ATOM 0 HB2 HIS A 95 -21.521 -6.988 25.787 1.00 71.42 H new ATOM 0 HB3 HIS A 95 -22.825 -6.327 24.822 1.00 71.42 H new ATOM 0 HD2 HIS A 95 -19.959 -8.751 24.355 1.00 73.31 H new ATOM 0 HE1 HIS A 95 -20.704 -7.202 20.485 1.00 53.03 H new ATOM 0 HE2 HIS A 95 -19.445 -8.967 21.808 1.00 63.22 H new ATOM 1522 N SER A 96 -21.389 -4.129 27.356 1.00 12.24 N ATOM 1523 CA SER A 96 -21.874 -3.253 28.419 1.00 35.24 C ATOM 1524 C SER A 96 -21.579 -1.789 28.171 1.00 42.21 C ATOM 1525 O SER A 96 -22.359 -0.899 28.481 1.00 52.35 O ATOM 1526 CB SER A 96 -21.255 -3.649 29.777 1.00 2.14 C ATOM 1527 OG SER A 96 -21.825 -2.950 30.885 1.00 32.54 O ATOM 0 H SER A 96 -20.635 -4.746 27.657 1.00 12.24 H new ATOM 0 HA SER A 96 -22.956 -3.382 28.433 1.00 35.24 H new ATOM 0 HB2 SER A 96 -21.384 -4.721 29.928 1.00 2.14 H new ATOM 0 HB3 SER A 96 -20.182 -3.457 29.749 1.00 2.14 H new ATOM 0 HG SER A 96 -21.394 -3.244 31.714 1.00 32.54 H new ATOM 1533 N CYS A 97 -20.383 -1.505 27.651 1.00 25.33 N ATOM 1534 CA CYS A 97 -19.959 -0.201 27.203 1.00 74.42 C ATOM 1535 C CYS A 97 -20.658 0.289 25.959 1.00 51.22 C ATOM 1536 O CYS A 97 -20.922 1.481 25.832 1.00 21.30 O ATOM 1537 CB CYS A 97 -18.431 -0.136 27.046 1.00 44.24 C ATOM 1538 SG CYS A 97 -17.528 0.139 28.590 1.00 50.43 S ATOM 0 H CYS A 97 -19.662 -2.216 27.531 1.00 25.33 H new ATOM 0 HA CYS A 97 -20.262 0.487 27.992 1.00 74.42 H new ATOM 0 HB2 CYS A 97 -18.085 -1.068 26.598 1.00 44.24 H new ATOM 0 HB3 CYS A 97 -18.184 0.664 26.348 1.00 44.24 H new ATOM 1543 N GLU A 98 -21.004 -0.608 25.007 1.00 41.13 N ATOM 1544 CA GLU A 98 -21.563 -0.250 23.707 1.00 4.40 C ATOM 1545 C GLU A 98 -22.872 0.500 23.850 1.00 41.14 C ATOM 1546 O GLU A 98 -23.228 1.333 23.023 1.00 73.23 O ATOM 1547 CB GLU A 98 -21.893 -1.463 22.798 1.00 63.33 C ATOM 1548 CG GLU A 98 -20.690 -2.325 22.366 1.00 55.42 C ATOM 1549 CD GLU A 98 -21.085 -3.267 21.233 1.00 74.40 C ATOM 1550 OE1 GLU A 98 -21.953 -4.149 21.485 1.00 14.30 O ATOM 1551 OE2 GLU A 98 -20.537 -3.112 20.113 1.00 22.12 O ATOM 0 H GLU A 98 -20.896 -1.614 25.134 1.00 41.13 H new ATOM 0 HA GLU A 98 -20.776 0.354 23.254 1.00 4.40 H new ATOM 0 HB2 GLU A 98 -22.604 -2.102 23.321 1.00 63.33 H new ATOM 0 HB3 GLU A 98 -22.393 -1.096 21.902 1.00 63.33 H new ATOM 0 HG2 GLU A 98 -19.872 -1.681 22.043 1.00 55.42 H new ATOM 0 HG3 GLU A 98 -20.325 -2.902 23.216 1.00 55.42 H new ATOM 1558 N LYS A 99 -23.629 0.165 24.909 1.00 62.22 N ATOM 1559 CA LYS A 99 -24.948 0.707 25.152 1.00 2.50 C ATOM 1560 C LYS A 99 -24.882 2.059 25.848 1.00 74.15 C ATOM 1561 O LYS A 99 -25.843 2.824 25.804 1.00 11.40 O ATOM 1562 CB LYS A 99 -25.799 -0.312 25.961 1.00 54.45 C ATOM 1563 CG LYS A 99 -25.378 -0.475 27.427 1.00 44.24 C ATOM 1564 CD LYS A 99 -25.675 -1.854 28.043 1.00 12.30 C ATOM 1565 CE LYS A 99 -27.157 -2.221 28.078 1.00 41.22 C ATOM 1566 NZ LYS A 99 -27.327 -3.515 28.769 1.00 72.43 N ATOM 0 H LYS A 99 -23.325 -0.499 25.621 1.00 62.22 H new ATOM 0 HA LYS A 99 -25.432 0.876 24.190 1.00 2.50 H new ATOM 0 HB2 LYS A 99 -26.843 0.000 25.929 1.00 54.45 H new ATOM 0 HB3 LYS A 99 -25.742 -1.284 25.470 1.00 54.45 H new ATOM 0 HG2 LYS A 99 -24.308 -0.283 27.505 1.00 44.24 H new ATOM 0 HG3 LYS A 99 -25.883 0.287 28.021 1.00 44.24 H new ATOM 0 HD2 LYS A 99 -25.138 -2.615 27.477 1.00 12.30 H new ATOM 0 HD3 LYS A 99 -25.283 -1.877 29.060 1.00 12.30 H new ATOM 0 HE2 LYS A 99 -27.723 -1.445 28.593 1.00 41.22 H new ATOM 0 HE3 LYS A 99 -27.551 -2.284 27.064 1.00 41.22 H new ATOM 0 HZ1 LYS A 99 -28.336 -3.766 28.793 1.00 72.43 H new ATOM 0 HZ2 LYS A 99 -26.799 -4.252 28.260 1.00 72.43 H new ATOM 0 HZ3 LYS A 99 -26.966 -3.439 29.741 1.00 72.43 H new ATOM 1580 N VAL A 100 -23.741 2.387 26.517 1.00 42.30 N ATOM 1581 CA VAL A 100 -23.600 3.604 27.293 1.00 52.23 C ATOM 1582 C VAL A 100 -22.844 4.662 26.518 1.00 44.42 C ATOM 1583 O VAL A 100 -23.065 5.859 26.698 1.00 70.23 O ATOM 1584 CB VAL A 100 -22.930 3.385 28.652 1.00 20.12 C ATOM 1585 CG1 VAL A 100 -23.788 2.388 29.441 1.00 73.31 C ATOM 1586 CG2 VAL A 100 -21.484 2.884 28.580 1.00 73.44 C ATOM 0 H VAL A 100 -22.907 1.800 26.519 1.00 42.30 H new ATOM 0 HA VAL A 100 -24.617 3.947 27.486 1.00 52.23 H new ATOM 0 HB VAL A 100 -22.868 4.357 29.142 1.00 20.12 H new ATOM 0 HG11 VAL A 100 -23.335 2.211 30.417 1.00 73.31 H new ATOM 0 HG12 VAL A 100 -24.790 2.796 29.574 1.00 73.31 H new ATOM 0 HG13 VAL A 100 -23.849 1.448 28.893 1.00 73.31 H new ATOM 0 HG21 VAL A 100 -21.092 2.758 29.589 1.00 73.44 H new ATOM 0 HG22 VAL A 100 -21.456 1.928 28.058 1.00 73.44 H new ATOM 0 HG23 VAL A 100 -20.874 3.609 28.042 1.00 73.44 H new ATOM 1596 N ILE A 101 -21.932 4.241 25.617 1.00 73.45 N ATOM 1597 CA ILE A 101 -21.220 5.143 24.725 1.00 1.41 C ATOM 1598 C ILE A 101 -22.069 5.739 23.615 1.00 32.24 C ATOM 1599 O ILE A 101 -23.089 5.199 23.192 1.00 62.13 O ATOM 1600 CB ILE A 101 -19.993 4.531 24.074 1.00 41.12 C ATOM 1601 CG1 ILE A 101 -20.309 3.295 23.203 1.00 40.42 C ATOM 1602 CG2 ILE A 101 -18.945 4.222 25.160 1.00 23.30 C ATOM 1603 CD1 ILE A 101 -19.564 3.320 21.873 1.00 62.30 C ATOM 0 H ILE A 101 -21.677 3.261 25.497 1.00 73.45 H new ATOM 0 HA ILE A 101 -20.919 5.935 25.411 1.00 1.41 H new ATOM 0 HB ILE A 101 -19.586 5.263 23.376 1.00 41.12 H new ATOM 0 HG12 ILE A 101 -20.043 2.390 23.749 1.00 40.42 H new ATOM 0 HG13 ILE A 101 -21.382 3.250 23.015 1.00 40.42 H new ATOM 0 HG21 ILE A 101 -18.061 3.782 24.698 1.00 23.30 H new ATOM 0 HG22 ILE A 101 -18.667 5.144 25.670 1.00 23.30 H new ATOM 0 HG23 ILE A 101 -19.364 3.521 25.881 1.00 23.30 H new ATOM 0 HD11 ILE A 101 -19.819 2.431 21.296 1.00 62.30 H new ATOM 0 HD12 ILE A 101 -19.850 4.210 21.313 1.00 62.30 H new ATOM 0 HD13 ILE A 101 -18.490 3.337 22.058 1.00 62.30 H new ATOM 1615 N THR A 102 -21.621 6.899 23.079 1.00 65.14 N ATOM 1616 CA THR A 102 -22.126 7.407 21.812 1.00 42.43 C ATOM 1617 C THR A 102 -21.662 6.575 20.636 1.00 0.34 C ATOM 1618 O THR A 102 -20.471 6.345 20.429 1.00 73.03 O ATOM 1619 CB THR A 102 -21.803 8.880 21.569 1.00 53.55 C ATOM 1620 OG1 THR A 102 -22.432 9.689 22.553 1.00 35.21 O ATOM 1621 CG2 THR A 102 -22.241 9.373 20.173 1.00 5.22 C ATOM 0 H THR A 102 -20.912 7.489 23.515 1.00 65.14 H new ATOM 0 HA THR A 102 -23.210 7.325 21.894 1.00 42.43 H new ATOM 0 HB THR A 102 -20.718 8.967 21.630 1.00 53.55 H new ATOM 0 HG1 THR A 102 -22.217 10.631 22.389 1.00 35.21 H new ATOM 0 HG21 THR A 102 -21.984 10.426 20.062 1.00 5.22 H new ATOM 0 HG22 THR A 102 -21.730 8.792 19.405 1.00 5.22 H new ATOM 0 HG23 THR A 102 -23.319 9.249 20.065 1.00 5.22 H new ATOM 1629 N ILE A 103 -22.651 6.158 19.823 1.00 0.45 N ATOM 1630 CA ILE A 103 -22.581 5.435 18.591 1.00 52.15 C ATOM 1631 C ILE A 103 -23.012 6.435 17.587 1.00 64.34 C ATOM 1632 O ILE A 103 -24.012 7.128 17.772 1.00 5.34 O ATOM 1633 CB ILE A 103 -23.516 4.245 18.496 1.00 15.44 C ATOM 1634 CG1 ILE A 103 -23.123 3.222 19.578 1.00 22.43 C ATOM 1635 CG2 ILE A 103 -23.604 3.671 17.052 1.00 54.40 C ATOM 1636 CD1 ILE A 103 -24.039 2.007 19.612 1.00 34.32 C ATOM 0 H ILE A 103 -23.622 6.356 20.066 1.00 0.45 H new ATOM 0 HA ILE A 103 -21.581 5.021 18.465 1.00 52.15 H new ATOM 0 HB ILE A 103 -24.540 4.557 18.700 1.00 15.44 H new ATOM 0 HG12 ILE A 103 -22.099 2.893 19.403 1.00 22.43 H new ATOM 0 HG13 ILE A 103 -23.139 3.709 20.553 1.00 22.43 H new ATOM 0 HG21 ILE A 103 -24.286 2.821 17.039 1.00 54.40 H new ATOM 0 HG22 ILE A 103 -23.973 4.442 16.376 1.00 54.40 H new ATOM 0 HG23 ILE A 103 -22.615 3.347 16.728 1.00 54.40 H new ATOM 0 HD11 ILE A 103 -23.709 1.324 20.395 1.00 34.32 H new ATOM 0 HD12 ILE A 103 -25.061 2.327 19.816 1.00 34.32 H new ATOM 0 HD13 ILE A 103 -24.004 1.498 18.649 1.00 34.32 H new ATOM 1648 N VAL A 104 -22.249 6.541 16.499 1.00 75.13 N ATOM 1649 CA VAL A 104 -22.586 7.477 15.475 1.00 23.41 C ATOM 1650 C VAL A 104 -22.907 6.660 14.249 1.00 4.24 C ATOM 1651 O VAL A 104 -22.121 5.829 13.800 1.00 33.43 O ATOM 1652 CB VAL A 104 -21.457 8.374 15.118 1.00 74.35 C ATOM 1653 CG1 VAL A 104 -21.878 9.461 14.170 1.00 65.14 C ATOM 1654 CG2 VAL A 104 -20.688 8.951 16.301 1.00 40.12 C ATOM 0 H VAL A 104 -21.409 5.990 16.323 1.00 75.13 H new ATOM 0 HA VAL A 104 -23.408 8.100 15.828 1.00 23.41 H new ATOM 0 HB VAL A 104 -20.751 7.717 14.610 1.00 74.35 H new ATOM 0 HG11 VAL A 104 -21.021 10.092 13.937 1.00 65.14 H new ATOM 0 HG12 VAL A 104 -22.261 9.015 13.252 1.00 65.14 H new ATOM 0 HG13 VAL A 104 -22.658 10.065 14.633 1.00 65.14 H new ATOM 0 HG21 VAL A 104 -19.885 9.591 15.936 1.00 40.12 H new ATOM 0 HG22 VAL A 104 -21.364 9.536 16.924 1.00 40.12 H new ATOM 0 HG23 VAL A 104 -20.264 8.138 16.891 1.00 40.12 H new ATOM 1664 N ALA A 105 -24.072 6.922 13.652 1.00 31.13 N ATOM 1665 CA ALA A 105 -24.492 6.352 12.392 1.00 64.53 C ATOM 1666 C ALA A 105 -23.606 6.703 11.209 1.00 3.44 C ATOM 1667 O ALA A 105 -23.229 5.859 10.403 1.00 73.01 O ATOM 1668 CB ALA A 105 -25.923 6.816 12.106 1.00 43.25 C ATOM 0 H ALA A 105 -24.762 7.557 14.053 1.00 31.13 H new ATOM 0 HA ALA A 105 -24.421 5.270 12.501 1.00 64.53 H new ATOM 0 HB1 ALA A 105 -26.259 6.396 11.158 1.00 43.25 H new ATOM 0 HB2 ALA A 105 -26.582 6.478 12.906 1.00 43.25 H new ATOM 0 HB3 ALA A 105 -25.948 7.904 12.050 1.00 43.25 H new ATOM 1674 N ASP A 106 -23.240 7.997 11.125 1.00 60.45 N ATOM 1675 CA ASP A 106 -22.299 8.559 10.183 1.00 74.10 C ATOM 1676 C ASP A 106 -20.878 8.025 10.368 1.00 23.32 C ATOM 1677 O ASP A 106 -20.142 7.861 9.399 1.00 34.30 O ATOM 1678 CB ASP A 106 -22.349 10.114 10.285 1.00 71.11 C ATOM 1679 CG ASP A 106 -21.531 10.820 9.202 1.00 14.01 C ATOM 1680 OD1 ASP A 106 -20.542 11.502 9.574 1.00 52.11 O ATOM 1681 OD2 ASP A 106 -21.912 10.700 8.010 1.00 75.22 O ATOM 0 H ASP A 106 -23.623 8.702 11.754 1.00 60.45 H new ATOM 0 HA ASP A 106 -22.593 8.249 9.180 1.00 74.10 H new ATOM 0 HB2 ASP A 106 -23.386 10.442 10.218 1.00 71.11 H new ATOM 0 HB3 ASP A 106 -21.981 10.419 11.265 1.00 71.11 H new ATOM 1686 N ASP A 107 -20.443 7.832 11.630 1.00 21.12 N ATOM 1687 CA ASP A 107 -19.027 7.784 11.954 1.00 14.24 C ATOM 1688 C ASP A 107 -18.727 6.548 12.808 1.00 30.01 C ATOM 1689 O ASP A 107 -18.754 6.656 14.036 1.00 1.20 O ATOM 1690 CB ASP A 107 -18.637 9.098 12.700 1.00 3.43 C ATOM 1691 CG ASP A 107 -17.140 9.342 12.814 1.00 44.24 C ATOM 1692 OD1 ASP A 107 -16.490 8.598 13.591 1.00 2.42 O ATOM 1693 OD2 ASP A 107 -16.638 10.279 12.139 1.00 61.32 O ATOM 0 H ASP A 107 -21.062 7.708 12.431 1.00 21.12 H new ATOM 0 HA ASP A 107 -18.434 7.707 11.043 1.00 14.24 H new ATOM 0 HB2 ASP A 107 -19.091 9.943 12.182 1.00 3.43 H new ATOM 0 HB3 ASP A 107 -19.065 9.072 13.702 1.00 3.43 H new ATOM 1698 N PRO A 108 -18.395 5.372 12.278 1.00 61.22 N ATOM 1699 CA PRO A 108 -18.101 4.193 13.091 1.00 73.25 C ATOM 1700 C PRO A 108 -16.799 4.323 13.865 1.00 13.05 C ATOM 1701 O PRO A 108 -16.543 3.507 14.752 1.00 4.23 O ATOM 1702 CB PRO A 108 -18.046 3.053 12.060 1.00 75.32 C ATOM 1703 CG PRO A 108 -17.610 3.737 10.762 1.00 73.25 C ATOM 1704 CD PRO A 108 -18.336 5.081 10.841 1.00 44.42 C ATOM 0 HA PRO A 108 -18.849 4.030 13.867 1.00 73.25 H new ATOM 0 HB2 PRO A 108 -17.338 2.280 12.359 1.00 75.32 H new ATOM 0 HB3 PRO A 108 -19.017 2.570 11.949 1.00 75.32 H new ATOM 0 HG2 PRO A 108 -16.528 3.862 10.712 1.00 73.25 H new ATOM 0 HG3 PRO A 108 -17.906 3.166 9.882 1.00 73.25 H new ATOM 0 HD2 PRO A 108 -17.797 5.858 10.299 1.00 44.42 H new ATOM 0 HD3 PRO A 108 -19.333 5.022 10.405 1.00 44.42 H new ATOM 1712 N CYS A 109 -15.952 5.323 13.532 1.00 63.52 N ATOM 1713 CA CYS A 109 -14.679 5.576 14.166 1.00 31.04 C ATOM 1714 C CYS A 109 -14.882 6.039 15.604 1.00 43.43 C ATOM 1715 O CYS A 109 -14.250 5.531 16.527 1.00 60.22 O ATOM 1716 CB CYS A 109 -13.875 6.629 13.366 1.00 0.53 C ATOM 1717 SG CYS A 109 -13.559 6.108 11.646 1.00 30.41 S ATOM 0 H CYS A 109 -16.161 5.987 12.787 1.00 63.52 H new ATOM 0 HA CYS A 109 -14.110 4.646 14.180 1.00 31.04 H new ATOM 0 HB2 CYS A 109 -14.421 7.572 13.362 1.00 0.53 H new ATOM 0 HB3 CYS A 109 -12.925 6.813 13.867 1.00 0.53 H new ATOM 1722 N GLN A 110 -15.847 6.967 15.839 1.00 31.31 N ATOM 1723 CA GLN A 110 -16.309 7.349 17.168 1.00 35.43 C ATOM 1724 C GLN A 110 -16.896 6.184 17.911 1.00 41.21 C ATOM 1725 O GLN A 110 -16.534 5.964 19.060 1.00 24.42 O ATOM 1726 CB GLN A 110 -17.390 8.468 17.136 1.00 25.23 C ATOM 1727 CG GLN A 110 -16.976 9.822 17.757 1.00 45.52 C ATOM 1728 CD GLN A 110 -16.232 10.693 16.757 1.00 2.42 C ATOM 1729 OE1 GLN A 110 -16.625 11.824 16.463 1.00 53.14 O ATOM 1730 NE2 GLN A 110 -15.149 10.125 16.182 1.00 11.41 N ATOM 0 H GLN A 110 -16.322 7.468 15.089 1.00 31.31 H new ATOM 0 HA GLN A 110 -15.418 7.719 17.675 1.00 35.43 H new ATOM 0 HB2 GLN A 110 -17.679 8.639 16.099 1.00 25.23 H new ATOM 0 HB3 GLN A 110 -18.276 8.106 17.658 1.00 25.23 H new ATOM 0 HG2 GLN A 110 -17.864 10.348 18.109 1.00 45.52 H new ATOM 0 HG3 GLN A 110 -16.344 9.646 18.627 1.00 45.52 H new ATOM 0 HE21 GLN A 110 -14.860 9.186 16.456 1.00 11.41 H new ATOM 0 HE22 GLN A 110 -14.621 10.635 15.474 1.00 11.41 H new ATOM 1739 N THR A 111 -17.753 5.368 17.256 1.00 72.11 N ATOM 1740 CA THR A 111 -18.317 4.180 17.904 1.00 60.10 C ATOM 1741 C THR A 111 -17.244 3.220 18.429 1.00 42.14 C ATOM 1742 O THR A 111 -17.311 2.813 19.585 1.00 41.24 O ATOM 1743 CB THR A 111 -19.227 3.378 16.987 1.00 61.34 C ATOM 1744 OG1 THR A 111 -20.280 4.198 16.497 1.00 51.25 O ATOM 1745 CG2 THR A 111 -19.848 2.172 17.736 1.00 11.31 C ATOM 0 H THR A 111 -18.060 5.514 16.294 1.00 72.11 H new ATOM 0 HA THR A 111 -18.893 4.587 18.735 1.00 60.10 H new ATOM 0 HB THR A 111 -18.620 3.014 16.158 1.00 61.34 H new ATOM 0 HG1 THR A 111 -20.659 3.795 15.688 1.00 51.25 H new ATOM 0 HG21 THR A 111 -20.494 1.616 17.057 1.00 11.31 H new ATOM 0 HG22 THR A 111 -19.053 1.519 18.097 1.00 11.31 H new ATOM 0 HG23 THR A 111 -20.434 2.532 18.582 1.00 11.31 H new ATOM 1753 N MET A 112 -16.187 2.879 17.650 1.00 3.43 N ATOM 1754 CA MET A 112 -15.051 2.151 18.187 1.00 21.34 C ATOM 1755 C MET A 112 -14.175 2.871 19.210 1.00 31.14 C ATOM 1756 O MET A 112 -13.868 2.301 20.251 1.00 70.31 O ATOM 1757 CB MET A 112 -14.170 1.584 17.043 1.00 74.43 C ATOM 1758 CG MET A 112 -14.328 0.059 16.869 1.00 53.32 C ATOM 1759 SD MET A 112 -13.743 -0.896 18.309 1.00 54.44 S ATOM 1760 CE MET A 112 -13.856 -2.522 17.513 1.00 2.44 C ATOM 0 H MET A 112 -16.114 3.103 16.657 1.00 3.43 H new ATOM 0 HA MET A 112 -15.523 1.354 18.761 1.00 21.34 H new ATOM 0 HB2 MET A 112 -14.431 2.081 16.109 1.00 74.43 H new ATOM 0 HB3 MET A 112 -13.125 1.816 17.246 1.00 74.43 H new ATOM 0 HG2 MET A 112 -15.378 -0.172 16.691 1.00 53.32 H new ATOM 0 HG3 MET A 112 -13.777 -0.258 15.984 1.00 53.32 H new ATOM 0 HE1 MET A 112 -13.541 -3.294 18.215 1.00 2.44 H new ATOM 0 HE2 MET A 112 -14.886 -2.707 17.209 1.00 2.44 H new ATOM 0 HE3 MET A 112 -13.209 -2.544 16.636 1.00 2.44 H new ATOM 1770 N LEU A 113 -13.764 4.140 18.981 1.00 4.20 N ATOM 1771 CA LEU A 113 -12.907 4.897 19.901 1.00 33.24 C ATOM 1772 C LEU A 113 -13.577 5.180 21.226 1.00 61.53 C ATOM 1773 O LEU A 113 -12.997 4.955 22.288 1.00 42.23 O ATOM 1774 CB LEU A 113 -12.485 6.200 19.193 1.00 71.31 C ATOM 1775 CG LEU A 113 -11.297 7.082 19.673 1.00 74.01 C ATOM 1776 CD1 LEU A 113 -11.484 8.571 19.303 1.00 10.21 C ATOM 1777 CD2 LEU A 113 -10.722 6.888 21.076 1.00 32.30 C ATOM 0 H LEU A 113 -14.024 4.664 18.145 1.00 4.20 H new ATOM 0 HA LEU A 113 -12.031 4.296 20.145 1.00 33.24 H new ATOM 0 HB2 LEU A 113 -12.273 5.934 18.157 1.00 71.31 H new ATOM 0 HB3 LEU A 113 -13.364 6.845 19.183 1.00 71.31 H new ATOM 0 HG LEU A 113 -10.487 6.653 19.084 1.00 74.01 H new ATOM 0 HD11 LEU A 113 -10.629 9.145 19.660 1.00 10.21 H new ATOM 0 HD12 LEU A 113 -11.561 8.670 18.220 1.00 10.21 H new ATOM 0 HD13 LEU A 113 -12.394 8.950 19.768 1.00 10.21 H new ATOM 0 HD21 LEU A 113 -9.902 7.589 21.233 1.00 32.30 H new ATOM 0 HD22 LEU A 113 -11.501 7.069 21.817 1.00 32.30 H new ATOM 0 HD23 LEU A 113 -10.352 5.868 21.180 1.00 32.30 H new ATOM 1789 N ASN A 114 -14.861 5.608 21.189 1.00 42.34 N ATOM 1790 CA ASN A 114 -15.661 5.880 22.375 1.00 52.12 C ATOM 1791 C ASN A 114 -15.842 4.605 23.172 1.00 54.43 C ATOM 1792 O ASN A 114 -15.735 4.601 24.398 1.00 51.12 O ATOM 1793 CB ASN A 114 -17.094 6.408 22.095 1.00 61.23 C ATOM 1794 CG ASN A 114 -17.089 7.813 21.499 1.00 12.42 C ATOM 1795 OD1 ASN A 114 -16.147 8.596 21.624 1.00 71.11 O ATOM 1796 ND2 ASN A 114 -18.222 8.148 20.828 1.00 53.04 N ATOM 0 H ASN A 114 -15.364 5.772 20.317 1.00 42.34 H new ATOM 0 HA ASN A 114 -15.106 6.655 22.903 1.00 52.12 H new ATOM 0 HB2 ASN A 114 -17.602 5.728 21.411 1.00 61.23 H new ATOM 0 HB3 ASN A 114 -17.665 6.412 23.023 1.00 61.23 H new ATOM 0 HD21 ASN A 114 -18.311 9.073 20.408 1.00 53.04 H new ATOM 0 HD22 ASN A 114 -18.983 7.474 20.744 1.00 53.04 H new ATOM 1803 N LEU A 115 -16.097 3.470 22.478 1.00 60.42 N ATOM 1804 CA LEU A 115 -16.188 2.174 23.107 1.00 45.41 C ATOM 1805 C LEU A 115 -14.894 1.761 23.732 1.00 64.33 C ATOM 1806 O LEU A 115 -14.863 1.315 24.870 1.00 62.20 O ATOM 1807 CB LEU A 115 -16.597 1.084 22.098 1.00 73.21 C ATOM 1808 CG LEU A 115 -16.719 -0.333 22.684 1.00 43.24 C ATOM 1809 CD1 LEU A 115 -15.413 -1.127 22.754 1.00 71.31 C ATOM 1810 CD2 LEU A 115 -17.525 -0.365 23.973 1.00 11.53 C ATOM 0 H LEU A 115 -16.242 3.450 21.469 1.00 60.42 H new ATOM 0 HA LEU A 115 -16.950 2.273 23.880 1.00 45.41 H new ATOM 0 HB2 LEU A 115 -17.554 1.361 21.655 1.00 73.21 H new ATOM 0 HB3 LEU A 115 -15.865 1.065 21.290 1.00 73.21 H new ATOM 0 HG LEU A 115 -17.300 -0.883 21.944 1.00 43.24 H new ATOM 0 HD11 LEU A 115 -15.608 -2.111 23.181 1.00 71.31 H new ATOM 0 HD12 LEU A 115 -15.003 -1.242 21.751 1.00 71.31 H new ATOM 0 HD13 LEU A 115 -14.697 -0.595 23.380 1.00 71.31 H new ATOM 0 HD21 LEU A 115 -17.579 -1.389 24.343 1.00 11.53 H new ATOM 0 HD22 LEU A 115 -17.042 0.265 24.720 1.00 11.53 H new ATOM 0 HD23 LEU A 115 -18.532 0.006 23.782 1.00 11.53 H new ATOM 1822 N ALA A 116 -13.787 1.921 22.994 1.00 42.22 N ATOM 1823 CA ALA A 116 -12.464 1.485 23.384 1.00 51.41 C ATOM 1824 C ALA A 116 -12.008 2.203 24.627 1.00 43.22 C ATOM 1825 O ALA A 116 -11.441 1.602 25.541 1.00 61.43 O ATOM 1826 CB ALA A 116 -11.433 1.712 22.261 1.00 41.41 C ATOM 0 H ALA A 116 -13.802 2.374 22.080 1.00 42.22 H new ATOM 0 HA ALA A 116 -12.530 0.416 23.584 1.00 51.41 H new ATOM 0 HB1 ALA A 116 -10.452 1.372 22.593 1.00 41.41 H new ATOM 0 HB2 ALA A 116 -11.731 1.151 21.375 1.00 41.41 H new ATOM 0 HB3 ALA A 116 -11.386 2.774 22.019 1.00 41.41 H new ATOM 1832 N MET A 117 -12.281 3.527 24.692 1.00 35.01 N ATOM 1833 CA MET A 117 -11.938 4.326 25.839 1.00 5.44 C ATOM 1834 C MET A 117 -12.860 4.007 27.027 1.00 60.43 C ATOM 1835 O MET A 117 -12.428 4.119 28.169 1.00 72.44 O ATOM 1836 CB MET A 117 -11.870 5.839 25.441 1.00 14.11 C ATOM 1837 CG MET A 117 -13.206 6.565 25.233 1.00 3.44 C ATOM 1838 SD MET A 117 -12.993 8.316 24.782 1.00 33.43 S ATOM 1839 CE MET A 117 -14.723 8.808 25.026 1.00 31.21 C ATOM 0 H MET A 117 -12.742 4.046 23.945 1.00 35.01 H new ATOM 0 HA MET A 117 -10.938 4.070 26.189 1.00 5.44 H new ATOM 0 HB2 MET A 117 -11.314 6.368 26.215 1.00 14.11 H new ATOM 0 HB3 MET A 117 -11.293 5.922 24.520 1.00 14.11 H new ATOM 0 HG2 MET A 117 -13.772 6.059 24.451 1.00 3.44 H new ATOM 0 HG3 MET A 117 -13.797 6.499 26.147 1.00 3.44 H new ATOM 0 HE1 MET A 117 -14.973 9.614 24.336 1.00 31.21 H new ATOM 0 HE2 MET A 117 -15.374 7.954 24.838 1.00 31.21 H new ATOM 0 HE3 MET A 117 -14.862 9.151 26.051 1.00 31.21 H new ATOM 1849 N CYS A 118 -14.128 3.542 26.801 1.00 0.54 N ATOM 1850 CA CYS A 118 -14.963 2.938 27.857 1.00 51.20 C ATOM 1851 C CYS A 118 -14.493 1.550 28.284 1.00 51.13 C ATOM 1852 O CYS A 118 -14.353 1.268 29.473 1.00 75.34 O ATOM 1853 CB CYS A 118 -16.464 2.838 27.448 1.00 11.32 C ATOM 1854 SG CYS A 118 -17.623 2.181 28.723 1.00 34.23 S ATOM 0 H CYS A 118 -14.583 3.580 25.889 1.00 0.54 H new ATOM 0 HA CYS A 118 -14.855 3.620 28.701 1.00 51.20 H new ATOM 0 HB2 CYS A 118 -16.805 3.831 27.157 1.00 11.32 H new ATOM 0 HB3 CYS A 118 -16.535 2.205 26.564 1.00 11.32 H new ATOM 1859 N PHE A 119 -14.189 0.647 27.322 1.00 33.43 N ATOM 1860 CA PHE A 119 -13.643 -0.674 27.577 1.00 13.55 C ATOM 1861 C PHE A 119 -12.368 -0.689 28.384 1.00 52.31 C ATOM 1862 O PHE A 119 -12.247 -1.436 29.357 1.00 11.12 O ATOM 1863 CB PHE A 119 -13.390 -1.344 26.206 1.00 33.23 C ATOM 1864 CG PHE A 119 -12.691 -2.681 26.264 1.00 43.41 C ATOM 1865 CD1 PHE A 119 -11.288 -2.700 26.138 1.00 50.32 C ATOM 1866 CD2 PHE A 119 -13.369 -3.883 26.504 1.00 61.45 C ATOM 1867 CE1 PHE A 119 -10.575 -3.894 26.266 1.00 25.24 C ATOM 1868 CE2 PHE A 119 -12.651 -5.079 26.636 1.00 5.22 C ATOM 1869 CZ PHE A 119 -11.258 -5.086 26.520 1.00 14.43 C ATOM 0 H PHE A 119 -14.326 0.838 26.329 1.00 33.43 H new ATOM 0 HA PHE A 119 -14.371 -1.212 28.184 1.00 13.55 H new ATOM 0 HB2 PHE A 119 -14.347 -1.474 25.701 1.00 33.23 H new ATOM 0 HB3 PHE A 119 -12.795 -0.667 25.593 1.00 33.23 H new ATOM 0 HD1 PHE A 119 -10.758 -1.780 25.940 1.00 50.32 H new ATOM 0 HD2 PHE A 119 -14.446 -3.888 26.587 1.00 61.45 H new ATOM 0 HE1 PHE A 119 -9.499 -3.896 26.169 1.00 25.24 H new ATOM 0 HE2 PHE A 119 -13.178 -6.002 26.829 1.00 5.22 H new ATOM 0 HZ PHE A 119 -10.711 -6.011 26.627 1.00 14.43 H new ATOM 1879 N LYS A 120 -11.391 0.166 28.016 1.00 23.04 N ATOM 1880 CA LYS A 120 -10.141 0.282 28.708 1.00 4.23 C ATOM 1881 C LYS A 120 -10.355 0.747 30.134 1.00 64.15 C ATOM 1882 O LYS A 120 -9.635 0.370 31.057 1.00 4.31 O ATOM 1883 CB LYS A 120 -9.206 1.274 27.967 1.00 15.40 C ATOM 1884 CG LYS A 120 -7.815 1.411 28.601 1.00 71.53 C ATOM 1885 CD LYS A 120 -6.938 2.513 27.983 1.00 61.45 C ATOM 1886 CE LYS A 120 -5.602 2.667 28.717 1.00 45.23 C ATOM 1887 NZ LYS A 120 -4.972 3.957 28.380 1.00 2.31 N ATOM 0 H LYS A 120 -11.473 0.793 27.216 1.00 23.04 H new ATOM 0 HA LYS A 120 -9.674 -0.703 28.730 1.00 4.23 H new ATOM 0 HB2 LYS A 120 -9.093 0.947 26.933 1.00 15.40 H new ATOM 0 HB3 LYS A 120 -9.681 2.255 27.941 1.00 15.40 H new ATOM 0 HG2 LYS A 120 -7.933 1.613 29.666 1.00 71.53 H new ATOM 0 HG3 LYS A 120 -7.294 0.458 28.513 1.00 71.53 H new ATOM 0 HD2 LYS A 120 -6.750 2.281 26.935 1.00 61.45 H new ATOM 0 HD3 LYS A 120 -7.476 3.461 28.008 1.00 61.45 H new ATOM 0 HE2 LYS A 120 -5.763 2.604 29.793 1.00 45.23 H new ATOM 0 HE3 LYS A 120 -4.935 1.848 28.446 1.00 45.23 H new ATOM 0 HZ1 LYS A 120 -4.076 4.052 28.899 1.00 2.31 H new ATOM 0 HZ2 LYS A 120 -4.785 3.996 27.358 1.00 2.31 H new ATOM 0 HZ3 LYS A 120 -5.610 4.735 28.645 1.00 2.31 H new ATOM 1901 N ALA A 121 -11.389 1.589 30.329 1.00 4.31 N ATOM 1902 CA ALA A 121 -11.716 2.183 31.611 1.00 3.44 C ATOM 1903 C ALA A 121 -12.057 1.126 32.650 1.00 63.32 C ATOM 1904 O ALA A 121 -11.637 1.175 33.803 1.00 64.53 O ATOM 1905 CB ALA A 121 -12.902 3.154 31.447 1.00 41.43 C ATOM 0 H ALA A 121 -12.021 1.871 29.580 1.00 4.31 H new ATOM 0 HA ALA A 121 -10.838 2.725 31.962 1.00 3.44 H new ATOM 0 HB1 ALA A 121 -13.145 3.598 32.412 1.00 41.43 H new ATOM 0 HB2 ALA A 121 -12.633 3.941 30.743 1.00 41.43 H new ATOM 0 HB3 ALA A 121 -13.768 2.610 31.070 1.00 41.43 H new ATOM 1911 N GLU A 122 -12.835 0.115 32.221 1.00 51.45 N ATOM 1912 CA GLU A 122 -13.157 -1.053 32.996 1.00 45.11 C ATOM 1913 C GLU A 122 -11.980 -1.996 33.280 1.00 75.52 C ATOM 1914 O GLU A 122 -11.780 -2.357 34.430 1.00 40.51 O ATOM 1915 CB GLU A 122 -14.332 -1.763 32.284 1.00 44.53 C ATOM 1916 CG GLU A 122 -15.675 -0.981 32.377 1.00 63.02 C ATOM 1917 CD GLU A 122 -16.262 -0.962 33.790 1.00 2.54 C ATOM 1918 OE1 GLU A 122 -16.365 0.147 34.379 1.00 41.01 O ATOM 1919 OE2 GLU A 122 -16.623 -2.061 34.286 1.00 50.31 O ATOM 0 H GLU A 122 -13.260 0.108 31.294 1.00 51.45 H new ATOM 0 HA GLU A 122 -13.441 -0.731 33.998 1.00 45.11 H new ATOM 0 HB2 GLU A 122 -14.077 -1.908 31.234 1.00 44.53 H new ATOM 0 HB3 GLU A 122 -14.466 -2.753 32.719 1.00 44.53 H new ATOM 0 HG2 GLU A 122 -15.516 0.044 32.042 1.00 63.02 H new ATOM 0 HG3 GLU A 122 -16.398 -1.430 31.696 1.00 63.02 H new ATOM 1926 N ILE A 123 -11.102 -2.379 32.316 1.00 54.53 N ATOM 1927 CA ILE A 123 -9.902 -3.159 32.598 1.00 23.33 C ATOM 1928 C ILE A 123 -8.834 -2.444 33.406 1.00 33.22 C ATOM 1929 O ILE A 123 -8.023 -3.093 34.061 1.00 23.14 O ATOM 1930 CB ILE A 123 -9.314 -3.778 31.342 1.00 55.41 C ATOM 1931 CG1 ILE A 123 -8.898 -2.701 30.337 1.00 42.33 C ATOM 1932 CG2 ILE A 123 -10.332 -4.751 30.711 1.00 13.45 C ATOM 1933 CD1 ILE A 123 -8.208 -3.189 29.069 1.00 30.34 C ATOM 0 H ILE A 123 -11.220 -2.149 31.329 1.00 54.53 H new ATOM 0 HA ILE A 123 -10.260 -3.957 33.249 1.00 23.33 H new ATOM 0 HB ILE A 123 -8.418 -4.334 31.618 1.00 55.41 H new ATOM 0 HG12 ILE A 123 -9.788 -2.141 30.048 1.00 42.33 H new ATOM 0 HG13 ILE A 123 -8.231 -2.002 30.842 1.00 42.33 H new ATOM 0 HG21 ILE A 123 -9.904 -5.192 29.810 1.00 13.45 H new ATOM 0 HG22 ILE A 123 -10.570 -5.541 31.423 1.00 13.45 H new ATOM 0 HG23 ILE A 123 -11.242 -4.209 30.453 1.00 13.45 H new ATOM 0 HD11 ILE A 123 -7.962 -2.336 28.437 1.00 30.34 H new ATOM 0 HD12 ILE A 123 -7.294 -3.720 29.334 1.00 30.34 H new ATOM 0 HD13 ILE A 123 -8.874 -3.861 28.528 1.00 30.34 H new ATOM 1945 N HIS A 124 -8.839 -1.092 33.430 1.00 44.34 N ATOM 1946 CA HIS A 124 -8.043 -0.276 34.333 1.00 31.32 C ATOM 1947 C HIS A 124 -8.407 -0.534 35.792 1.00 13.53 C ATOM 1948 O HIS A 124 -7.540 -0.584 36.661 1.00 33.01 O ATOM 1949 CB HIS A 124 -8.220 1.235 34.021 1.00 24.32 C ATOM 1950 CG HIS A 124 -7.396 2.161 34.873 1.00 11.44 C ATOM 1951 ND1 HIS A 124 -6.054 2.356 34.697 1.00 75.42 N ATOM 1952 CD2 HIS A 124 -7.768 2.919 35.928 1.00 13.54 C ATOM 1953 CE1 HIS A 124 -5.626 3.205 35.615 1.00 43.43 C ATOM 1954 NE2 HIS A 124 -6.646 3.560 36.374 1.00 43.13 N ATOM 0 H HIS A 124 -9.417 -0.537 32.799 1.00 44.34 H new ATOM 0 HA HIS A 124 -7.001 -0.557 34.177 1.00 31.32 H new ATOM 0 HB2 HIS A 124 -7.967 1.407 32.975 1.00 24.32 H new ATOM 0 HB3 HIS A 124 -9.272 1.495 34.141 1.00 24.32 H new ATOM 0 HD1 HIS A 124 -5.479 1.919 33.977 1.00 75.42 H new ATOM 0 HD2 HIS A 124 -8.763 3.003 36.340 1.00 13.54 H new ATOM 0 HE1 HIS A 124 -4.609 3.551 35.726 1.00 43.43 H new ATOM 1963 N LYS A 125 -9.723 -0.674 36.095 1.00 2.02 N ATOM 1964 CA LYS A 125 -10.232 -0.745 37.458 1.00 13.15 C ATOM 1965 C LYS A 125 -9.985 -2.101 38.121 1.00 1.24 C ATOM 1966 O LYS A 125 -9.964 -2.229 39.344 1.00 14.23 O ATOM 1967 CB LYS A 125 -11.751 -0.396 37.491 1.00 12.53 C ATOM 1968 CG LYS A 125 -12.765 -1.555 37.381 1.00 25.45 C ATOM 1969 CD LYS A 125 -14.193 -1.126 36.992 1.00 32.32 C ATOM 1970 CE LYS A 125 -14.777 0.020 37.814 1.00 20.30 C ATOM 1971 NZ LYS A 125 -16.176 0.251 37.401 1.00 13.13 N ATOM 0 H LYS A 125 -10.452 -0.740 35.385 1.00 2.02 H new ATOM 0 HA LYS A 125 -9.675 -0.007 38.036 1.00 13.15 H new ATOM 0 HB2 LYS A 125 -11.951 0.135 38.422 1.00 12.53 H new ATOM 0 HB3 LYS A 125 -11.951 0.301 36.677 1.00 12.53 H new ATOM 0 HG2 LYS A 125 -12.401 -2.269 36.643 1.00 25.45 H new ATOM 0 HG3 LYS A 125 -12.805 -2.077 38.337 1.00 25.45 H new ATOM 0 HD2 LYS A 125 -14.194 -0.835 35.942 1.00 32.32 H new ATOM 0 HD3 LYS A 125 -14.852 -1.990 37.084 1.00 32.32 H new ATOM 0 HE2 LYS A 125 -14.734 -0.220 38.876 1.00 20.30 H new ATOM 0 HE3 LYS A 125 -14.188 0.925 37.668 1.00 20.30 H new ATOM 0 HZ1 LYS A 125 -16.491 1.180 37.747 1.00 13.13 H new ATOM 0 HZ2 LYS A 125 -16.240 0.228 36.363 1.00 13.13 H new ATOM 0 HZ3 LYS A 125 -16.783 -0.492 37.802 1.00 13.13 H new ATOM 1985 N LEU A 126 -9.834 -3.153 37.287 1.00 64.45 N ATOM 1986 CA LEU A 126 -9.734 -4.556 37.646 1.00 55.44 C ATOM 1987 C LEU A 126 -8.462 -4.956 38.373 1.00 33.40 C ATOM 1988 O LEU A 126 -7.402 -4.346 38.265 1.00 41.34 O ATOM 1989 CB LEU A 126 -9.915 -5.454 36.389 1.00 32.34 C ATOM 1990 CG LEU A 126 -11.336 -5.365 35.784 1.00 40.42 C ATOM 1991 CD1 LEU A 126 -11.395 -5.876 34.338 1.00 22.10 C ATOM 1992 CD2 LEU A 126 -12.378 -6.106 36.635 1.00 12.13 C ATOM 0 H LEU A 126 -9.776 -3.018 36.278 1.00 64.45 H new ATOM 0 HA LEU A 126 -10.542 -4.712 38.361 1.00 55.44 H new ATOM 0 HB2 LEU A 126 -9.185 -5.164 35.633 1.00 32.34 H new ATOM 0 HB3 LEU A 126 -9.703 -6.490 36.655 1.00 32.34 H new ATOM 0 HG LEU A 126 -11.581 -4.303 35.780 1.00 40.42 H new ATOM 0 HD11 LEU A 126 -12.415 -5.791 33.963 1.00 22.10 H new ATOM 0 HD12 LEU A 126 -10.728 -5.281 33.714 1.00 22.10 H new ATOM 0 HD13 LEU A 126 -11.084 -6.920 34.308 1.00 22.10 H new ATOM 0 HD21 LEU A 126 -13.359 -6.015 36.169 1.00 12.13 H new ATOM 0 HD22 LEU A 126 -12.107 -7.159 36.707 1.00 12.13 H new ATOM 0 HD23 LEU A 126 -12.408 -5.670 37.634 1.00 12.13 H new ATOM 2004 N ASP A 127 -8.571 -6.045 39.169 1.00 1.33 N ATOM 2005 CA ASP A 127 -7.516 -6.563 40.019 1.00 52.41 C ATOM 2006 C ASP A 127 -6.560 -7.479 39.247 1.00 61.35 C ATOM 2007 O ASP A 127 -5.606 -8.006 39.811 1.00 11.25 O ATOM 2008 CB ASP A 127 -8.180 -7.291 41.227 1.00 2.15 C ATOM 2009 CG ASP A 127 -7.199 -7.659 42.342 1.00 23.11 C ATOM 2010 OD1 ASP A 127 -7.114 -8.870 42.670 1.00 11.15 O ATOM 2011 OD2 ASP A 127 -6.569 -6.723 42.897 1.00 4.42 O ATOM 0 H ASP A 127 -9.430 -6.592 39.227 1.00 1.33 H new ATOM 0 HA ASP A 127 -6.901 -5.741 40.385 1.00 52.41 H new ATOM 0 HB2 ASP A 127 -8.961 -6.652 41.639 1.00 2.15 H new ATOM 0 HB3 ASP A 127 -8.666 -8.199 40.869 1.00 2.15 H new ATOM 2016 N TRP A 128 -6.798 -7.682 37.935 1.00 22.31 N ATOM 2017 CA TRP A 128 -5.955 -8.479 37.068 1.00 72.15 C ATOM 2018 C TRP A 128 -5.777 -7.676 35.795 1.00 53.14 C ATOM 2019 O TRP A 128 -6.609 -6.826 35.481 1.00 4.20 O ATOM 2020 CB TRP A 128 -6.573 -9.877 36.743 1.00 54.15 C ATOM 2021 CG TRP A 128 -7.876 -9.799 35.966 1.00 60.10 C ATOM 2022 CD1 TRP A 128 -9.072 -9.333 36.421 1.00 64.35 C ATOM 2023 CD2 TRP A 128 -8.029 -10.017 34.552 1.00 33.51 C ATOM 2024 NE1 TRP A 128 -9.947 -9.168 35.372 1.00 35.13 N ATOM 2025 CE2 TRP A 128 -9.328 -9.584 34.213 1.00 13.43 C ATOM 2026 CE3 TRP A 128 -7.157 -10.507 33.582 1.00 21.12 C ATOM 2027 CZ2 TRP A 128 -9.773 -9.618 32.897 1.00 10.52 C ATOM 2028 CZ3 TRP A 128 -7.618 -10.572 32.259 1.00 5.41 C ATOM 2029 CH2 TRP A 128 -8.901 -10.116 31.916 1.00 42.12 C ATOM 0 H TRP A 128 -7.603 -7.281 37.454 1.00 22.31 H new ATOM 0 HA TRP A 128 -5.006 -8.684 37.564 1.00 72.15 H new ATOM 0 HB2 TRP A 128 -5.852 -10.460 36.170 1.00 54.15 H new ATOM 0 HB3 TRP A 128 -6.747 -10.414 37.675 1.00 54.15 H new ATOM 0 HD1 TRP A 128 -9.301 -9.123 37.455 1.00 64.35 H new ATOM 0 HE1 TRP A 128 -10.896 -8.799 35.441 1.00 35.13 H new ATOM 0 HE3 TRP A 128 -6.158 -10.826 33.841 1.00 21.12 H new ATOM 0 HZ2 TRP A 128 -10.762 -9.271 32.636 1.00 10.52 H new ATOM 0 HZ3 TRP A 128 -6.976 -10.979 31.492 1.00 5.41 H new ATOM 0 HH2 TRP A 128 -9.221 -10.149 30.885 1.00 42.12 H new ATOM 2040 N ALA A 129 -4.688 -7.918 35.037 1.00 45.33 N ATOM 2041 CA ALA A 129 -4.436 -7.202 33.809 1.00 61.24 C ATOM 2042 C ALA A 129 -4.473 -8.141 32.607 1.00 53.05 C ATOM 2043 O ALA A 129 -3.657 -9.064 32.556 1.00 71.13 O ATOM 2044 CB ALA A 129 -3.068 -6.502 33.868 1.00 32.54 C ATOM 0 H ALA A 129 -3.977 -8.611 35.271 1.00 45.33 H new ATOM 0 HA ALA A 129 -5.222 -6.455 33.694 1.00 61.24 H new ATOM 0 HB1 ALA A 129 -2.893 -5.967 32.935 1.00 32.54 H new ATOM 0 HB2 ALA A 129 -3.056 -5.797 34.699 1.00 32.54 H new ATOM 0 HB3 ALA A 129 -2.285 -7.246 34.012 1.00 32.54 H new ATOM 2050 N PRO A 130 -5.347 -7.985 31.608 1.00 45.04 N ATOM 2051 CA PRO A 130 -5.123 -8.535 30.271 1.00 34.04 C ATOM 2052 C PRO A 130 -3.988 -7.779 29.593 1.00 74.22 C ATOM 2053 O PRO A 130 -3.757 -6.606 29.884 1.00 2.15 O ATOM 2054 CB PRO A 130 -6.467 -8.300 29.564 1.00 33.34 C ATOM 2055 CG PRO A 130 -7.039 -7.048 30.236 1.00 51.30 C ATOM 2056 CD PRO A 130 -6.572 -7.177 31.682 1.00 74.51 C ATOM 0 HA PRO A 130 -4.833 -9.586 30.262 1.00 34.04 H new ATOM 0 HB2 PRO A 130 -6.331 -8.149 28.493 1.00 33.34 H new ATOM 0 HB3 PRO A 130 -7.133 -9.154 29.683 1.00 33.34 H new ATOM 0 HG2 PRO A 130 -6.663 -6.136 29.772 1.00 51.30 H new ATOM 0 HG3 PRO A 130 -8.126 -7.016 30.166 1.00 51.30 H new ATOM 0 HD2 PRO A 130 -6.376 -6.200 32.123 1.00 74.51 H new ATOM 0 HD3 PRO A 130 -7.328 -7.660 32.301 1.00 74.51 H new ATOM 2064 N THR A 131 -3.256 -8.440 28.673 1.00 13.34 N ATOM 2065 CA THR A 131 -2.241 -7.805 27.848 1.00 13.30 C ATOM 2066 C THR A 131 -2.954 -7.199 26.659 1.00 44.24 C ATOM 2067 O THR A 131 -4.121 -7.498 26.407 1.00 43.41 O ATOM 2068 CB THR A 131 -1.128 -8.746 27.359 1.00 61.42 C ATOM 2069 OG1 THR A 131 -1.516 -9.680 26.357 1.00 0.14 O ATOM 2070 CG2 THR A 131 -0.688 -9.604 28.550 1.00 21.51 C ATOM 0 H THR A 131 -3.364 -9.438 28.490 1.00 13.34 H new ATOM 0 HA THR A 131 -1.731 -7.063 28.462 1.00 13.30 H new ATOM 0 HB THR A 131 -0.363 -8.095 26.937 1.00 61.42 H new ATOM 0 HG1 THR A 131 -0.745 -10.232 26.108 1.00 0.14 H new ATOM 0 HG21 THR A 131 0.103 -10.285 28.236 1.00 21.51 H new ATOM 0 HG22 THR A 131 -0.316 -8.959 29.346 1.00 21.51 H new ATOM 0 HG23 THR A 131 -1.537 -10.180 28.917 1.00 21.51 H new ATOM 2078 N LEU A 132 -2.278 -6.355 25.851 1.00 54.54 N ATOM 2079 CA LEU A 132 -2.895 -5.746 24.684 1.00 54.32 C ATOM 2080 C LEU A 132 -3.332 -6.761 23.644 1.00 4.25 C ATOM 2081 O LEU A 132 -4.335 -6.548 22.973 1.00 34.45 O ATOM 2082 CB LEU A 132 -1.995 -4.671 24.014 1.00 14.11 C ATOM 2083 CG LEU A 132 -1.818 -3.354 24.817 1.00 3.33 C ATOM 2084 CD1 LEU A 132 -3.172 -2.719 25.183 1.00 74.21 C ATOM 2085 CD2 LEU A 132 -0.920 -3.472 26.062 1.00 51.52 C ATOM 0 H LEU A 132 -1.304 -6.088 25.997 1.00 54.54 H new ATOM 0 HA LEU A 132 -3.785 -5.253 25.074 1.00 54.32 H new ATOM 0 HB2 LEU A 132 -1.010 -5.104 23.838 1.00 14.11 H new ATOM 0 HB3 LEU A 132 -2.415 -4.428 23.038 1.00 14.11 H new ATOM 0 HG LEU A 132 -1.288 -2.691 24.133 1.00 3.33 H new ATOM 0 HD11 LEU A 132 -3.003 -1.800 25.744 1.00 74.21 H new ATOM 0 HD12 LEU A 132 -3.725 -2.491 24.272 1.00 74.21 H new ATOM 0 HD13 LEU A 132 -3.748 -3.416 25.793 1.00 74.21 H new ATOM 0 HD21 LEU A 132 -0.856 -2.503 26.557 1.00 51.52 H new ATOM 0 HD22 LEU A 132 -1.345 -4.204 26.749 1.00 51.52 H new ATOM 0 HD23 LEU A 132 0.078 -3.793 25.762 1.00 51.52 H new ATOM 2097 N ASP A 133 -2.646 -7.926 23.544 1.00 72.32 N ATOM 2098 CA ASP A 133 -2.987 -8.995 22.614 1.00 64.23 C ATOM 2099 C ASP A 133 -4.396 -9.538 22.862 1.00 3.33 C ATOM 2100 O ASP A 133 -5.114 -9.855 21.924 1.00 52.54 O ATOM 2101 CB ASP A 133 -1.990 -10.185 22.723 1.00 3.54 C ATOM 2102 CG ASP A 133 -0.600 -9.855 22.189 1.00 13.14 C ATOM 2103 OD1 ASP A 133 -0.444 -8.847 21.456 1.00 60.43 O ATOM 2104 OD2 ASP A 133 0.331 -10.632 22.532 1.00 2.14 O ATOM 0 H ASP A 133 -1.832 -8.138 24.121 1.00 72.32 H new ATOM 0 HA ASP A 133 -2.934 -8.554 21.619 1.00 64.23 H new ATOM 0 HB2 ASP A 133 -1.909 -10.488 23.767 1.00 3.54 H new ATOM 0 HB3 ASP A 133 -2.390 -11.037 22.174 1.00 3.54 H new ATOM 2109 N VAL A 134 -4.792 -9.648 24.144 1.00 74.30 N ATOM 2110 CA VAL A 134 -6.043 -10.208 24.641 1.00 40.12 C ATOM 2111 C VAL A 134 -7.070 -9.124 24.877 1.00 34.24 C ATOM 2112 O VAL A 134 -8.219 -9.235 24.445 1.00 42.32 O ATOM 2113 CB VAL A 134 -5.850 -11.130 25.849 1.00 42.40 C ATOM 2114 CG1 VAL A 134 -4.699 -10.694 26.737 1.00 60.21 C ATOM 2115 CG2 VAL A 134 -7.118 -11.427 26.677 1.00 43.54 C ATOM 0 H VAL A 134 -4.197 -9.322 24.906 1.00 74.30 H new ATOM 0 HA VAL A 134 -6.438 -10.855 23.858 1.00 40.12 H new ATOM 0 HB VAL A 134 -5.591 -12.085 25.392 1.00 42.40 H new ATOM 0 HG11 VAL A 134 -4.607 -11.382 27.577 1.00 60.21 H new ATOM 0 HG12 VAL A 134 -3.773 -10.698 26.161 1.00 60.21 H new ATOM 0 HG13 VAL A 134 -4.889 -9.688 27.111 1.00 60.21 H new ATOM 0 HG21 VAL A 134 -6.865 -12.088 27.506 1.00 43.54 H new ATOM 0 HG22 VAL A 134 -7.524 -10.494 27.068 1.00 43.54 H new ATOM 0 HG23 VAL A 134 -7.862 -11.909 26.043 1.00 43.54 H new ATOM 2125 N ALA A 135 -6.685 -7.996 25.518 1.00 41.13 N ATOM 2126 CA ALA A 135 -7.586 -6.885 25.735 1.00 62.33 C ATOM 2127 C ALA A 135 -8.064 -6.226 24.464 1.00 24.42 C ATOM 2128 O ALA A 135 -9.262 -6.015 24.299 1.00 21.31 O ATOM 2129 CB ALA A 135 -6.925 -5.824 26.626 1.00 72.43 C ATOM 0 H ALA A 135 -5.746 -7.850 25.889 1.00 41.13 H new ATOM 0 HA ALA A 135 -8.461 -7.313 26.224 1.00 62.33 H new ATOM 0 HB1 ALA A 135 -7.616 -4.995 26.779 1.00 72.43 H new ATOM 0 HB2 ALA A 135 -6.669 -6.266 27.589 1.00 72.43 H new ATOM 0 HB3 ALA A 135 -6.019 -5.456 26.143 1.00 72.43 H new ATOM 2135 N VAL A 136 -7.170 -5.923 23.494 1.00 11.43 N ATOM 2136 CA VAL A 136 -7.670 -5.402 22.237 1.00 52.14 C ATOM 2137 C VAL A 136 -8.161 -6.538 21.397 1.00 74.42 C ATOM 2138 O VAL A 136 -9.075 -6.372 20.597 1.00 42.40 O ATOM 2139 CB VAL A 136 -6.721 -4.562 21.420 1.00 63.12 C ATOM 2140 CG1 VAL A 136 -5.954 -3.612 22.355 1.00 42.30 C ATOM 2141 CG2 VAL A 136 -5.872 -5.289 20.376 1.00 64.32 C ATOM 0 H VAL A 136 -6.158 -6.028 23.564 1.00 11.43 H new ATOM 0 HA VAL A 136 -8.463 -4.712 22.527 1.00 52.14 H new ATOM 0 HB VAL A 136 -7.334 -3.964 20.746 1.00 63.12 H new ATOM 0 HG11 VAL A 136 -5.266 -3.002 21.769 1.00 42.30 H new ATOM 0 HG12 VAL A 136 -6.660 -2.965 22.875 1.00 42.30 H new ATOM 0 HG13 VAL A 136 -5.391 -4.195 23.084 1.00 42.30 H new ATOM 0 HG21 VAL A 136 -5.235 -4.570 19.860 1.00 64.32 H new ATOM 0 HG22 VAL A 136 -5.250 -6.037 20.869 1.00 64.32 H new ATOM 0 HG23 VAL A 136 -6.525 -5.779 19.654 1.00 64.32 H new ATOM 2151 N GLY A 137 -7.560 -7.743 21.548 1.00 21.00 N ATOM 2152 CA GLY A 137 -7.883 -8.850 20.669 1.00 1.31 C ATOM 2153 C GLY A 137 -9.321 -9.266 20.708 1.00 74.12 C ATOM 2154 O GLY A 137 -9.906 -9.494 19.659 1.00 52.14 O ATOM 0 H GLY A 137 -6.863 -7.953 22.263 1.00 21.00 H new ATOM 0 HA2 GLY A 137 -7.624 -8.575 19.647 1.00 1.31 H new ATOM 0 HA3 GLY A 137 -7.262 -9.705 20.936 1.00 1.31 H new ATOM 2158 N GLU A 138 -9.956 -9.356 21.901 1.00 71.22 N ATOM 2159 CA GLU A 138 -11.354 -9.711 22.004 1.00 41.10 C ATOM 2160 C GLU A 138 -12.282 -8.653 21.422 1.00 31.13 C ATOM 2161 O GLU A 138 -13.302 -8.980 20.817 1.00 74.43 O ATOM 2162 CB GLU A 138 -11.722 -10.021 23.467 1.00 4.02 C ATOM 2163 CG GLU A 138 -10.915 -11.179 24.126 1.00 30.45 C ATOM 2164 CD GLU A 138 -9.843 -11.900 23.300 1.00 73.15 C ATOM 2165 OE1 GLU A 138 -10.200 -12.461 22.242 1.00 21.41 O ATOM 2166 OE2 GLU A 138 -8.665 -11.927 23.730 1.00 41.04 O ATOM 0 H GLU A 138 -9.502 -9.183 22.798 1.00 71.22 H new ATOM 0 HA GLU A 138 -11.498 -10.608 21.401 1.00 41.10 H new ATOM 0 HB2 GLU A 138 -11.579 -9.117 24.060 1.00 4.02 H new ATOM 0 HB3 GLU A 138 -12.783 -10.268 23.513 1.00 4.02 H new ATOM 0 HG2 GLU A 138 -10.430 -10.778 25.016 1.00 30.45 H new ATOM 0 HG3 GLU A 138 -11.631 -11.929 24.463 1.00 30.45 H new ATOM 2173 N LEU A 139 -11.921 -7.353 21.568 1.00 72.01 N ATOM 2174 CA LEU A 139 -12.602 -6.232 20.949 1.00 34.10 C ATOM 2175 C LEU A 139 -12.533 -6.275 19.477 1.00 73.24 C ATOM 2176 O LEU A 139 -13.537 -6.154 18.777 1.00 30.22 O ATOM 2177 CB LEU A 139 -11.928 -4.876 21.241 1.00 74.10 C ATOM 2178 CG LEU A 139 -12.161 -4.315 22.617 1.00 74.44 C ATOM 2179 CD1 LEU A 139 -11.246 -3.098 22.830 1.00 41.32 C ATOM 2180 CD2 LEU A 139 -13.626 -3.882 22.658 1.00 42.32 C ATOM 0 H LEU A 139 -11.125 -7.068 22.138 1.00 72.01 H new ATOM 0 HA LEU A 139 -13.611 -6.314 21.354 1.00 34.10 H new ATOM 0 HB2 LEU A 139 -10.854 -4.985 21.090 1.00 74.10 H new ATOM 0 HB3 LEU A 139 -12.281 -4.150 20.508 1.00 74.10 H new ATOM 0 HG LEU A 139 -11.944 -5.045 23.397 1.00 74.44 H new ATOM 0 HD11 LEU A 139 -11.412 -2.688 23.826 1.00 41.32 H new ATOM 0 HD12 LEU A 139 -10.205 -3.404 22.732 1.00 41.32 H new ATOM 0 HD13 LEU A 139 -11.472 -2.337 22.083 1.00 41.32 H new ATOM 0 HD21 LEU A 139 -13.855 -3.464 23.639 1.00 42.32 H new ATOM 0 HD22 LEU A 139 -13.804 -3.128 21.892 1.00 42.32 H new ATOM 0 HD23 LEU A 139 -14.266 -4.745 22.473 1.00 42.32 H new ATOM 2192 N LEU A 140 -11.294 -6.439 18.987 1.00 10.44 N ATOM 2193 CA LEU A 140 -11.089 -6.445 17.574 1.00 24.11 C ATOM 2194 C LEU A 140 -11.665 -7.699 16.926 1.00 12.33 C ATOM 2195 O LEU A 140 -12.317 -7.630 15.888 1.00 23.11 O ATOM 2196 CB LEU A 140 -9.599 -6.245 17.221 1.00 74.04 C ATOM 2197 CG LEU A 140 -9.004 -4.869 17.619 1.00 25.04 C ATOM 2198 CD1 LEU A 140 -7.599 -4.715 17.012 1.00 61.12 C ATOM 2199 CD2 LEU A 140 -9.892 -3.629 17.412 1.00 11.33 C ATOM 0 H LEU A 140 -10.454 -6.564 19.551 1.00 10.44 H new ATOM 0 HA LEU A 140 -11.635 -5.597 17.160 1.00 24.11 H new ATOM 0 HB2 LEU A 140 -9.019 -7.028 17.708 1.00 74.04 H new ATOM 0 HB3 LEU A 140 -9.476 -6.379 16.146 1.00 74.04 H new ATOM 0 HG LEU A 140 -8.939 -4.895 18.707 1.00 25.04 H new ATOM 0 HD11 LEU A 140 -7.185 -3.747 17.294 1.00 61.12 H new ATOM 0 HD12 LEU A 140 -6.952 -5.509 17.385 1.00 61.12 H new ATOM 0 HD13 LEU A 140 -7.663 -4.780 15.926 1.00 61.12 H new ATOM 0 HD21 LEU A 140 -9.352 -2.737 17.731 1.00 11.33 H new ATOM 0 HD22 LEU A 140 -10.150 -3.538 16.357 1.00 11.33 H new ATOM 0 HD23 LEU A 140 -10.803 -3.732 18.001 1.00 11.33 H new ATOM 2211 N ALA A 141 -11.505 -8.887 17.553 1.00 5.30 N ATOM 2212 CA ALA A 141 -12.095 -10.113 17.074 1.00 1.53 C ATOM 2213 C ALA A 141 -13.612 -10.105 17.057 1.00 51.10 C ATOM 2214 O ALA A 141 -14.211 -10.657 16.142 1.00 75.12 O ATOM 2215 CB ALA A 141 -11.620 -11.317 17.907 1.00 41.40 C ATOM 0 H ALA A 141 -10.958 -9.000 18.406 1.00 5.30 H new ATOM 0 HA ALA A 141 -11.757 -10.200 16.041 1.00 1.53 H new ATOM 0 HB1 ALA A 141 -12.080 -12.228 17.525 1.00 41.40 H new ATOM 0 HB2 ALA A 141 -10.535 -11.402 17.839 1.00 41.40 H new ATOM 0 HB3 ALA A 141 -11.908 -11.175 18.949 1.00 41.40 H new ATOM 2221 N ASP A 142 -14.285 -9.511 18.066 1.00 62.42 N ATOM 2222 CA ASP A 142 -15.732 -9.465 18.103 1.00 73.24 C ATOM 2223 C ASP A 142 -16.266 -8.135 17.558 1.00 61.11 C ATOM 2224 O ASP A 142 -17.332 -7.687 17.973 1.00 13.12 O ATOM 2225 CB ASP A 142 -16.194 -9.734 19.566 1.00 0.05 C ATOM 2226 CG ASP A 142 -17.675 -10.086 19.702 1.00 61.13 C ATOM 2227 OD1 ASP A 142 -18.304 -9.618 20.690 1.00 45.51 O ATOM 2228 OD2 ASP A 142 -18.170 -10.879 18.861 1.00 1.35 O ATOM 0 H ASP A 142 -13.832 -9.060 18.861 1.00 62.42 H new ATOM 0 HA ASP A 142 -16.144 -10.237 17.453 1.00 73.24 H new ATOM 0 HB2 ASP A 142 -15.599 -10.549 19.979 1.00 0.05 H new ATOM 0 HB3 ASP A 142 -15.986 -8.850 20.169 1.00 0.05 H new ATOM 2233 N THR A 143 -15.570 -7.452 16.609 1.00 62.33 N ATOM 2234 CA THR A 143 -16.114 -6.217 16.022 1.00 22.41 C ATOM 2235 C THR A 143 -17.383 -6.451 15.151 1.00 10.23 C ATOM 2236 O THR A 143 -17.404 -7.436 14.358 1.00 0.00 O ATOM 2237 CB THR A 143 -15.104 -5.379 15.223 1.00 42.42 C ATOM 2238 OG1 THR A 143 -15.653 -4.106 14.914 1.00 54.20 O ATOM 2239 CG2 THR A 143 -14.674 -6.024 13.902 1.00 11.32 C ATOM 2240 OXT THR A 143 -18.355 -5.661 15.297 1.00 0.00 O ATOM 0 H THR A 143 -14.658 -7.733 16.249 1.00 62.33 H new ATOM 0 HA THR A 143 -16.389 -5.641 16.905 1.00 22.41 H new ATOM 0 HB THR A 143 -14.228 -5.298 15.866 1.00 42.42 H new ATOM 0 HG1 THR A 143 -14.999 -3.582 14.406 1.00 54.20 H new ATOM 0 HG21 THR A 143 -13.961 -5.374 13.395 1.00 11.32 H new ATOM 0 HG22 THR A 143 -14.207 -6.988 14.103 1.00 11.32 H new ATOM 0 HG23 THR A 143 -15.548 -6.169 13.267 1.00 11.32 H new TER 2248 THR A 143