USER MOD reduce.3.24.130724 H: found=0, std=0, add=936, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 932 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 14 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 17 MET CE :methyl 179:sc= 0 (180deg=0) USER MOD Set 1.3: A 101 TYR OH : rot 34:sc= -0.0104 USER MOD Set 1.4: A 113 HIS : no HD1:sc= 0.0635 K(o=0.053,f=-1.3) USER MOD Set 2.1: A 37 TYR OH : rot -116:sc= 1.2 USER MOD Set 2.2: A 49 HIS : no HD1:sc= -0.0153 X(o=0.66,f=0.46) USER MOD Set 2.3: A 77 HIS : no HE2:sc= -0.167 K(o=0.66,f=-0.93) USER MOD Set 2.4: A 78 MET CE :methyl -132:sc= -0.254 (180deg=-1.44!) USER MOD Set 2.5: A 81 MET CE :methyl 148:sc= -0.102 (180deg=-1.4!) USER MOD Set 3.1: A 33 TYR OH : rot -143:sc= 0.719 USER MOD Set 3.2: A 54 GLN : amide:sc= -0.223 K(o=0.5,f=-1.5!) USER MOD Set 4.1: A 25 THR OG1 : rot -27:sc= -0.631 USER MOD Set 4.2: A 28 TYR OH : rot 4:sc= 0.736 USER MOD Set 4.3: A 98 MET CE :methyl 145:sc= -0.129 (180deg=-0.808) USER MOD Set 4.4: A 112 ASN : amide:sc= -0.159 K(o=0.58,f=-2!) USER MOD Set 4.5: A 114 LYS NZ :NH3+ 144:sc= 0.759 (180deg=0) USER MOD Set 5.1: A 6 GLN :FLIP amide:sc= 0.333 F(o=-0.47,f=0.7) USER MOD Set 5.2: A 23 THR OG1 : rot -94:sc= 0.371 USER MOD Set 6.1: A 15 LYS NZ :NH3+ 178:sc= 0.473 (180deg=-0.0308) USER MOD Set 6.2: A 105 THR OG1 : rot 140:sc= 0.446 USER MOD Set 7.1: A 10 ASN : amide:sc=-0.00511 X(o=0.012,f=0) USER MOD Set 7.2: A 11 THR OG1 : rot 180:sc= 0.0175 USER MOD Set 8.1: A 1 MET N :NH3+ -166:sc= 0.922 (180deg=0.561) USER MOD Set 8.2: A 97 TYR OH : rot 67:sc= 0.937 USER MOD Single : A 1 MET CE :methyl -132:sc= -1.27 (180deg=-2.72!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 31:sc= 0.0221 USER MOD Single : A 13 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.56) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot 180:sc= -0.208 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.0893 USER MOD Single : A 41 ASN : amide:sc= -0.621 K(o=-0.62,f=-1.5) USER MOD Single : A 44 GLN : amide:sc= 0.0109 X(o=0.011,f=-0.15) USER MOD Single : A 48 HIS : no HD1:sc= -0.298 X(o=-0.3,f=-0.2) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN :FLIP amide:sc= -0.149 F(o=-0.95,f=-0.15) USER MOD Single : A 70 GLN : amide:sc= 0.00776 X(o=0.0078,f=0) USER MOD Single : A 76 SER OG : rot 23:sc= 0.0538 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -0.049 USER MOD Single : A 93 LYS NZ :NH3+ -165:sc= -0.0485 (180deg=-0.29) USER MOD Single : A 94 THR OG1 : rot 170:sc= 0 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 THR OG1 : rot -72:sc= 0.0933 USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 117 THR OG1 : rot -60:sc= -0.17 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 124 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0418) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.378 15.006 -2.699 1.00 12.12 N ATOM 2 CA MET A 1 -5.072 15.043 -4.157 1.00 52.12 C ATOM 3 C MET A 1 -6.312 14.640 -4.993 1.00 4.22 C ATOM 4 O MET A 1 -6.781 13.502 -4.910 1.00 43.00 O ATOM 5 CB MET A 1 -3.875 14.119 -4.499 1.00 42.51 C ATOM 6 CG MET A 1 -2.569 14.486 -3.791 1.00 71.44 C ATOM 7 SD MET A 1 -2.064 16.185 -4.134 1.00 31.12 S ATOM 8 CE MET A 1 -0.597 16.337 -3.117 1.00 64.11 C ATOM 0 H1 MET A 1 -4.627 15.499 -2.174 1.00 12.12 H new ATOM 0 H2 MET A 1 -6.289 15.476 -2.523 1.00 12.12 H new ATOM 0 H3 MET A 1 -5.432 14.017 -2.381 1.00 12.12 H new ATOM 0 HA MET A 1 -4.800 16.068 -4.411 1.00 52.12 H new ATOM 0 HB2 MET A 1 -4.138 13.093 -4.240 1.00 42.51 H new ATOM 0 HB3 MET A 1 -3.709 14.144 -5.576 1.00 42.51 H new ATOM 0 HG2 MET A 1 -2.691 14.355 -2.716 1.00 71.44 H new ATOM 0 HG3 MET A 1 -1.781 13.803 -4.108 1.00 71.44 H new ATOM 0 HE1 MET A 1 -0.647 17.261 -2.542 1.00 64.11 H new ATOM 0 HE2 MET A 1 -0.537 15.488 -2.436 1.00 64.11 H new ATOM 0 HE3 MET A 1 0.287 16.354 -3.754 1.00 64.11 H new ATOM 20 N LYS A 2 -6.821 15.593 -5.788 1.00 15.40 N ATOM 21 CA LYS A 2 -7.964 15.395 -6.706 1.00 12.14 C ATOM 22 C LYS A 2 -7.567 14.499 -7.914 1.00 33.35 C ATOM 23 O LYS A 2 -6.382 14.384 -8.247 1.00 12.12 O ATOM 24 CB LYS A 2 -8.440 16.793 -7.203 1.00 63.32 C ATOM 25 CG LYS A 2 -9.719 16.799 -8.081 1.00 22.04 C ATOM 26 CD LYS A 2 -9.981 18.169 -8.757 1.00 3.52 C ATOM 27 CE LYS A 2 -8.897 18.539 -9.791 1.00 15.35 C ATOM 28 NZ LYS A 2 -9.140 19.864 -10.417 1.00 65.34 N ATOM 0 H LYS A 2 -6.447 16.541 -5.815 1.00 15.40 H new ATOM 0 HA LYS A 2 -8.770 14.887 -6.176 1.00 12.14 H new ATOM 0 HB2 LYS A 2 -8.616 17.426 -6.333 1.00 63.32 H new ATOM 0 HB3 LYS A 2 -7.630 17.251 -7.771 1.00 63.32 H new ATOM 0 HG2 LYS A 2 -9.629 16.032 -8.850 1.00 22.04 H new ATOM 0 HG3 LYS A 2 -10.578 16.534 -7.465 1.00 22.04 H new ATOM 0 HD2 LYS A 2 -10.954 18.147 -9.248 1.00 3.52 H new ATOM 0 HD3 LYS A 2 -10.028 18.944 -7.992 1.00 3.52 H new ATOM 0 HE2 LYS A 2 -7.921 18.543 -9.305 1.00 15.35 H new ATOM 0 HE3 LYS A 2 -8.863 17.774 -10.567 1.00 15.35 H new ATOM 0 HZ1 LYS A 2 -8.386 20.067 -11.103 1.00 65.34 H new ATOM 0 HZ2 LYS A 2 -10.059 19.854 -10.905 1.00 65.34 H new ATOM 0 HZ3 LYS A 2 -9.146 20.599 -9.682 1.00 65.34 H new ATOM 42 N VAL A 3 -8.559 13.855 -8.554 1.00 75.24 N ATOM 43 CA VAL A 3 -8.338 13.090 -9.806 1.00 34.40 C ATOM 44 C VAL A 3 -7.839 14.027 -10.949 1.00 60.01 C ATOM 45 O VAL A 3 -8.448 15.065 -11.221 1.00 41.14 O ATOM 46 CB VAL A 3 -9.643 12.326 -10.251 1.00 4.25 C ATOM 47 CG1 VAL A 3 -9.414 11.481 -11.533 1.00 54.34 C ATOM 48 CG2 VAL A 3 -10.184 11.447 -9.097 1.00 30.22 C ATOM 0 H VAL A 3 -9.526 13.846 -8.228 1.00 75.24 H new ATOM 0 HA VAL A 3 -7.566 12.348 -9.605 1.00 34.40 H new ATOM 0 HB VAL A 3 -10.394 13.078 -10.493 1.00 4.25 H new ATOM 0 HG11 VAL A 3 -10.339 10.972 -11.803 1.00 54.34 H new ATOM 0 HG12 VAL A 3 -9.108 12.135 -12.350 1.00 54.34 H new ATOM 0 HG13 VAL A 3 -8.634 10.742 -11.347 1.00 54.34 H new ATOM 0 HG21 VAL A 3 -11.085 10.929 -9.426 1.00 30.22 H new ATOM 0 HG22 VAL A 3 -9.428 10.715 -8.812 1.00 30.22 H new ATOM 0 HG23 VAL A 3 -10.421 12.077 -8.240 1.00 30.22 H new ATOM 58 N GLY A 4 -6.713 13.646 -11.586 1.00 70.22 N ATOM 59 CA GLY A 4 -6.052 14.464 -12.613 1.00 0.24 C ATOM 60 C GLY A 4 -4.835 15.239 -12.086 1.00 64.14 C ATOM 61 O GLY A 4 -4.135 15.898 -12.867 1.00 13.24 O ATOM 0 H GLY A 4 -6.240 12.762 -11.400 1.00 70.22 H new ATOM 0 HA2 GLY A 4 -5.735 13.819 -13.433 1.00 0.24 H new ATOM 0 HA3 GLY A 4 -6.773 15.171 -13.024 1.00 0.24 H new ATOM 65 N SER A 5 -4.562 15.146 -10.759 1.00 4.04 N ATOM 66 CA SER A 5 -3.458 15.897 -10.098 1.00 42.33 C ATOM 67 C SER A 5 -2.075 15.317 -10.457 1.00 45.45 C ATOM 68 O SER A 5 -1.850 14.109 -10.321 1.00 3.21 O ATOM 69 CB SER A 5 -3.629 15.890 -8.559 1.00 44.22 C ATOM 70 OG SER A 5 -2.569 16.580 -7.905 1.00 35.43 O ATOM 0 H SER A 5 -5.094 14.555 -10.121 1.00 4.04 H new ATOM 0 HA SER A 5 -3.511 16.922 -10.466 1.00 42.33 H new ATOM 0 HB2 SER A 5 -4.580 16.353 -8.297 1.00 44.22 H new ATOM 0 HB3 SER A 5 -3.667 14.861 -8.202 1.00 44.22 H new ATOM 0 HG SER A 5 -2.712 16.556 -6.936 1.00 35.43 H new ATOM 76 N GLN A 6 -1.157 16.189 -10.925 1.00 1.34 N ATOM 77 CA GLN A 6 0.228 15.807 -11.258 1.00 3.22 C ATOM 78 C GLN A 6 1.125 15.910 -10.003 1.00 40.32 C ATOM 79 O GLN A 6 1.419 17.010 -9.517 1.00 21.11 O ATOM 80 CB GLN A 6 0.791 16.716 -12.385 1.00 2.45 C ATOM 81 CG GLN A 6 -0.072 16.808 -13.655 1.00 25.31 C ATOM 82 CD GLN A 6 -0.349 15.463 -14.321 1.00 74.42 C ATOM 83 OE1 GLN A 6 -1.455 14.837 -13.981 1.00 74.03 O flip ATOM 84 NE2 GLN A 6 0.423 14.995 -15.151 1.00 10.22 N flip ATOM 0 H GLN A 6 -1.357 17.177 -11.082 1.00 1.34 H new ATOM 0 HA GLN A 6 0.224 14.776 -11.611 1.00 3.22 H new ATOM 0 HB2 GLN A 6 0.925 17.721 -11.984 1.00 2.45 H new ATOM 0 HB3 GLN A 6 1.779 16.350 -12.664 1.00 2.45 H new ATOM 0 HG2 GLN A 6 -1.022 17.278 -13.402 1.00 25.31 H new ATOM 0 HG3 GLN A 6 0.425 17.461 -14.372 1.00 25.31 H new ATOM 0 HE21 GLN A 6 1.274 15.500 -15.398 1.00 10.22 H new ATOM 0 HE22 GLN A 6 0.214 14.101 -15.595 1.00 10.22 H new ATOM 93 N VAL A 7 1.552 14.753 -9.492 1.00 72.22 N ATOM 94 CA VAL A 7 2.407 14.644 -8.280 1.00 62.43 C ATOM 95 C VAL A 7 3.683 13.814 -8.571 1.00 74.10 C ATOM 96 O VAL A 7 3.734 13.055 -9.528 1.00 33.43 O ATOM 97 CB VAL A 7 1.617 14.007 -7.065 1.00 63.02 C ATOM 98 CG1 VAL A 7 0.458 14.924 -6.600 1.00 32.12 C ATOM 99 CG2 VAL A 7 1.089 12.587 -7.407 1.00 44.23 C ATOM 0 H VAL A 7 1.318 13.849 -9.903 1.00 72.22 H new ATOM 0 HA VAL A 7 2.701 15.657 -8.004 1.00 62.43 H new ATOM 0 HB VAL A 7 2.323 13.911 -6.240 1.00 63.02 H new ATOM 0 HG11 VAL A 7 -0.063 14.456 -5.765 1.00 32.12 H new ATOM 0 HG12 VAL A 7 0.860 15.887 -6.284 1.00 32.12 H new ATOM 0 HG13 VAL A 7 -0.239 15.075 -7.424 1.00 32.12 H new ATOM 0 HG21 VAL A 7 0.552 12.182 -6.549 1.00 44.23 H new ATOM 0 HG22 VAL A 7 0.415 12.645 -8.262 1.00 44.23 H new ATOM 0 HG23 VAL A 7 1.928 11.936 -7.650 1.00 44.23 H new ATOM 109 N ILE A 8 4.724 14.015 -7.758 1.00 65.11 N ATOM 110 CA ILE A 8 5.967 13.208 -7.776 1.00 22.42 C ATOM 111 C ILE A 8 5.978 12.265 -6.557 1.00 23.13 C ATOM 112 O ILE A 8 5.627 12.682 -5.452 1.00 70.32 O ATOM 113 CB ILE A 8 7.248 14.136 -7.742 1.00 43.13 C ATOM 114 CG1 ILE A 8 7.277 15.093 -8.977 1.00 70.14 C ATOM 115 CG2 ILE A 8 8.568 13.317 -7.645 1.00 42.13 C ATOM 116 CD1 ILE A 8 7.384 14.395 -10.330 1.00 24.23 C ATOM 0 H ILE A 8 4.736 14.753 -7.054 1.00 65.11 H new ATOM 0 HA ILE A 8 5.991 12.627 -8.698 1.00 22.42 H new ATOM 0 HB ILE A 8 7.179 14.740 -6.837 1.00 43.13 H new ATOM 0 HG12 ILE A 8 6.372 15.700 -8.969 1.00 70.14 H new ATOM 0 HG13 ILE A 8 8.120 15.776 -8.869 1.00 70.14 H new ATOM 0 HG21 ILE A 8 9.418 13.999 -7.625 1.00 42.13 H new ATOM 0 HG22 ILE A 8 8.560 12.720 -6.733 1.00 42.13 H new ATOM 0 HG23 ILE A 8 8.652 12.658 -8.509 1.00 42.13 H new ATOM 0 HD11 ILE A 8 7.397 15.141 -11.124 1.00 24.23 H new ATOM 0 HD12 ILE A 8 8.303 13.810 -10.366 1.00 24.23 H new ATOM 0 HD13 ILE A 8 6.528 13.734 -10.467 1.00 24.23 H new ATOM 128 N ILE A 9 6.376 11.001 -6.755 1.00 70.13 N ATOM 129 CA ILE A 9 6.467 10.027 -5.652 1.00 32.33 C ATOM 130 C ILE A 9 7.743 10.294 -4.804 1.00 13.11 C ATOM 131 O ILE A 9 8.870 10.212 -5.312 1.00 74.22 O ATOM 132 CB ILE A 9 6.469 8.554 -6.192 1.00 34.24 C ATOM 133 CG1 ILE A 9 5.241 8.303 -7.125 1.00 62.32 C ATOM 134 CG2 ILE A 9 6.501 7.531 -5.028 1.00 11.32 C ATOM 135 CD1 ILE A 9 5.195 6.916 -7.738 1.00 61.13 C ATOM 0 H ILE A 9 6.640 10.627 -7.666 1.00 70.13 H new ATOM 0 HA ILE A 9 5.588 10.150 -5.019 1.00 32.33 H new ATOM 0 HB ILE A 9 7.375 8.414 -6.781 1.00 34.24 H new ATOM 0 HG12 ILE A 9 4.327 8.466 -6.554 1.00 62.32 H new ATOM 0 HG13 ILE A 9 5.252 9.041 -7.927 1.00 62.32 H new ATOM 0 HG21 ILE A 9 6.502 6.519 -5.433 1.00 11.32 H new ATOM 0 HG22 ILE A 9 7.402 7.685 -4.433 1.00 11.32 H new ATOM 0 HG23 ILE A 9 5.622 7.669 -4.398 1.00 11.32 H new ATOM 0 HD11 ILE A 9 4.312 6.827 -8.371 1.00 61.13 H new ATOM 0 HD12 ILE A 9 6.090 6.754 -8.339 1.00 61.13 H new ATOM 0 HD13 ILE A 9 5.150 6.169 -6.945 1.00 61.13 H new ATOM 147 N ASN A 10 7.540 10.611 -3.513 1.00 35.45 N ATOM 148 CA ASN A 10 8.620 10.951 -2.566 1.00 31.43 C ATOM 149 C ASN A 10 9.225 9.661 -1.963 1.00 30.44 C ATOM 150 O ASN A 10 10.426 9.395 -2.098 1.00 31.13 O ATOM 151 CB ASN A 10 8.052 11.878 -1.448 1.00 71.42 C ATOM 152 CG ASN A 10 9.065 12.216 -0.349 1.00 53.52 C ATOM 153 OD1 ASN A 10 9.819 13.174 -0.448 1.00 34.20 O ATOM 154 ND2 ASN A 10 9.101 11.420 0.708 1.00 3.12 N ATOM 0 H ASN A 10 6.611 10.639 -3.092 1.00 35.45 H new ATOM 0 HA ASN A 10 9.415 11.481 -3.091 1.00 31.43 H new ATOM 0 HB2 ASN A 10 7.700 12.804 -1.902 1.00 71.42 H new ATOM 0 HB3 ASN A 10 7.186 11.396 -0.995 1.00 71.42 H new ATOM 0 HD21 ASN A 10 9.766 11.600 1.460 1.00 3.12 H new ATOM 0 HD22 ASN A 10 8.463 10.626 0.771 1.00 3.12 H new ATOM 161 N THR A 11 8.364 8.875 -1.295 1.00 3.42 N ATOM 162 CA THR A 11 8.760 7.614 -0.628 1.00 71.34 C ATOM 163 C THR A 11 8.577 6.432 -1.598 1.00 54.22 C ATOM 164 O THR A 11 7.569 6.355 -2.304 1.00 61.55 O ATOM 165 CB THR A 11 7.898 7.383 0.663 1.00 40.40 C ATOM 166 OG1 THR A 11 8.089 8.476 1.584 1.00 62.20 O ATOM 167 CG2 THR A 11 8.217 6.052 1.369 1.00 55.10 C ATOM 0 H THR A 11 7.372 9.092 -1.200 1.00 3.42 H new ATOM 0 HA THR A 11 9.809 7.685 -0.339 1.00 71.34 H new ATOM 0 HB THR A 11 6.858 7.335 0.342 1.00 40.40 H new ATOM 0 HG1 THR A 11 7.547 8.326 2.386 1.00 62.20 H new ATOM 0 HG21 THR A 11 7.589 5.950 2.254 1.00 55.10 H new ATOM 0 HG22 THR A 11 8.022 5.223 0.688 1.00 55.10 H new ATOM 0 HG23 THR A 11 9.266 6.039 1.665 1.00 55.10 H new ATOM 175 N SER A 12 9.529 5.485 -1.590 1.00 60.43 N ATOM 176 CA SER A 12 9.550 4.362 -2.552 1.00 25.45 C ATOM 177 C SER A 12 9.730 3.005 -1.841 1.00 31.41 C ATOM 178 O SER A 12 10.691 2.800 -1.090 1.00 41.53 O ATOM 179 CB SER A 12 10.679 4.580 -3.588 1.00 40.42 C ATOM 180 OG SER A 12 11.962 4.652 -2.980 1.00 14.14 O ATOM 0 H SER A 12 10.301 5.472 -0.924 1.00 60.43 H new ATOM 0 HA SER A 12 8.588 4.338 -3.063 1.00 25.45 H new ATOM 0 HB2 SER A 12 10.667 3.765 -4.312 1.00 40.42 H new ATOM 0 HB3 SER A 12 10.489 5.500 -4.141 1.00 40.42 H new ATOM 0 HG SER A 12 11.972 4.100 -2.170 1.00 14.14 H new ATOM 186 N HIS A 13 8.767 2.099 -2.060 1.00 50.42 N ATOM 187 CA HIS A 13 8.852 0.685 -1.617 1.00 11.33 C ATOM 188 C HIS A 13 9.661 -0.109 -2.662 1.00 11.21 C ATOM 189 O HIS A 13 10.527 -0.921 -2.332 1.00 73.53 O ATOM 190 CB HIS A 13 7.426 0.106 -1.453 1.00 74.24 C ATOM 191 CG HIS A 13 6.557 0.932 -0.541 1.00 53.23 C ATOM 192 ND1 HIS A 13 6.548 0.720 0.812 1.00 2.54 N ATOM 193 CD2 HIS A 13 5.726 1.971 -0.828 1.00 63.31 C ATOM 194 CE1 HIS A 13 5.724 1.617 1.311 1.00 24.04 C ATOM 195 NE2 HIS A 13 5.203 2.393 0.360 1.00 74.10 N ATOM 0 H HIS A 13 7.900 2.319 -2.551 1.00 50.42 H new ATOM 0 HA HIS A 13 9.355 0.615 -0.653 1.00 11.33 H new ATOM 0 HB2 HIS A 13 6.953 0.037 -2.433 1.00 74.24 H new ATOM 0 HB3 HIS A 13 7.495 -0.908 -1.060 1.00 74.24 H new ATOM 0 HD2 HIS A 13 5.520 2.382 -1.806 1.00 63.31 H new ATOM 0 HE1 HIS A 13 5.497 1.713 2.363 1.00 24.04 H new ATOM 0 HE2 HIS A 13 4.540 3.156 0.495 1.00 74.10 H new ATOM 203 N MET A 14 9.323 0.151 -3.928 1.00 55.34 N ATOM 204 CA MET A 14 10.113 -0.237 -5.110 1.00 30.11 C ATOM 205 C MET A 14 11.022 0.968 -5.482 1.00 23.41 C ATOM 206 O MET A 14 10.523 2.087 -5.563 1.00 42.42 O ATOM 207 CB MET A 14 9.138 -0.574 -6.283 1.00 63.42 C ATOM 208 CG MET A 14 8.078 -1.649 -5.973 1.00 54.23 C ATOM 209 SD MET A 14 6.808 -1.075 -4.812 1.00 13.13 S ATOM 210 CE MET A 14 5.760 -2.522 -4.663 1.00 61.51 C ATOM 0 H MET A 14 8.468 0.652 -4.171 1.00 55.34 H new ATOM 0 HA MET A 14 10.727 -1.115 -4.909 1.00 30.11 H new ATOM 0 HB2 MET A 14 8.626 0.341 -6.582 1.00 63.42 H new ATOM 0 HB3 MET A 14 9.727 -0.904 -7.139 1.00 63.42 H new ATOM 0 HG2 MET A 14 7.600 -1.959 -6.902 1.00 54.23 H new ATOM 0 HG3 MET A 14 8.571 -2.529 -5.559 1.00 54.23 H new ATOM 0 HE1 MET A 14 4.939 -2.308 -3.979 1.00 61.51 H new ATOM 0 HE2 MET A 14 5.358 -2.782 -5.642 1.00 61.51 H new ATOM 0 HE3 MET A 14 6.345 -3.357 -4.278 1.00 61.51 H new ATOM 220 N LYS A 15 12.338 0.762 -5.699 1.00 21.34 N ATOM 221 CA LYS A 15 13.304 1.895 -5.899 1.00 2.32 C ATOM 222 C LYS A 15 13.000 2.745 -7.169 1.00 10.43 C ATOM 223 O LYS A 15 13.359 3.929 -7.232 1.00 33.52 O ATOM 224 CB LYS A 15 14.769 1.379 -5.927 1.00 43.40 C ATOM 225 CG LYS A 15 15.137 0.473 -7.128 1.00 61.31 C ATOM 226 CD LYS A 15 16.609 -0.009 -7.066 1.00 23.42 C ATOM 227 CE LYS A 15 17.010 -0.892 -8.259 1.00 34.21 C ATOM 228 NZ LYS A 15 16.951 -0.157 -9.549 1.00 65.23 N ATOM 0 H LYS A 15 12.766 -0.163 -5.742 1.00 21.34 H new ATOM 0 HA LYS A 15 13.176 2.557 -5.042 1.00 2.32 H new ATOM 0 HB2 LYS A 15 15.438 2.239 -5.926 1.00 43.40 H new ATOM 0 HB3 LYS A 15 14.958 0.826 -5.007 1.00 43.40 H new ATOM 0 HG2 LYS A 15 14.473 -0.392 -7.146 1.00 61.31 H new ATOM 0 HG3 LYS A 15 14.974 1.019 -8.057 1.00 61.31 H new ATOM 0 HD2 LYS A 15 17.267 0.859 -7.028 1.00 23.42 H new ATOM 0 HD3 LYS A 15 16.763 -0.567 -6.142 1.00 23.42 H new ATOM 0 HE2 LYS A 15 18.021 -1.270 -8.105 1.00 34.21 H new ATOM 0 HE3 LYS A 15 16.349 -1.758 -8.306 1.00 34.21 H new ATOM 0 HZ1 LYS A 15 17.262 -0.783 -10.319 1.00 65.23 H new ATOM 0 HZ2 LYS A 15 15.974 0.153 -9.728 1.00 65.23 H new ATOM 0 HZ3 LYS A 15 17.575 0.674 -9.504 1.00 65.23 H new ATOM 242 N GLY A 16 12.311 2.134 -8.157 1.00 23.35 N ATOM 243 CA GLY A 16 11.917 2.816 -9.404 1.00 25.42 C ATOM 244 C GLY A 16 10.755 3.817 -9.251 1.00 42.31 C ATOM 245 O GLY A 16 10.404 4.509 -10.204 1.00 53.23 O ATOM 0 H GLY A 16 12.015 1.159 -8.111 1.00 23.35 H new ATOM 0 HA2 GLY A 16 12.783 3.344 -9.803 1.00 25.42 H new ATOM 0 HA3 GLY A 16 11.636 2.063 -10.141 1.00 25.42 H new ATOM 249 N MET A 17 10.166 3.897 -8.050 1.00 73.20 N ATOM 250 CA MET A 17 9.052 4.828 -7.750 1.00 61.02 C ATOM 251 C MET A 17 9.593 6.219 -7.361 1.00 34.22 C ATOM 252 O MET A 17 8.938 7.227 -7.597 1.00 32.24 O ATOM 253 CB MET A 17 8.201 4.262 -6.590 1.00 65.42 C ATOM 254 CG MET A 17 7.717 2.826 -6.801 1.00 24.32 C ATOM 255 SD MET A 17 7.247 2.032 -5.246 1.00 51.03 S ATOM 256 CE MET A 17 5.561 2.543 -5.045 1.00 12.24 C ATOM 0 H MET A 17 10.443 3.322 -7.255 1.00 73.20 H new ATOM 0 HA MET A 17 8.436 4.931 -8.643 1.00 61.02 H new ATOM 0 HB2 MET A 17 8.787 4.303 -5.672 1.00 65.42 H new ATOM 0 HB3 MET A 17 7.334 4.907 -6.444 1.00 65.42 H new ATOM 0 HG2 MET A 17 6.864 2.827 -7.479 1.00 24.32 H new ATOM 0 HG3 MET A 17 8.505 2.245 -7.281 1.00 24.32 H new ATOM 0 HE1 MET A 17 5.154 2.105 -4.134 1.00 12.24 H new ATOM 0 HE2 MET A 17 5.516 3.630 -4.977 1.00 12.24 H new ATOM 0 HE3 MET A 17 4.975 2.209 -5.901 1.00 12.24 H new ATOM 266 N LYS A 18 10.803 6.252 -6.760 1.00 31.23 N ATOM 267 CA LYS A 18 11.395 7.500 -6.229 1.00 22.14 C ATOM 268 C LYS A 18 11.763 8.477 -7.379 1.00 14.11 C ATOM 269 O LYS A 18 12.599 8.159 -8.236 1.00 63.53 O ATOM 270 CB LYS A 18 12.643 7.165 -5.367 1.00 0.25 C ATOM 271 CG LYS A 18 13.114 8.315 -4.444 1.00 3.52 C ATOM 272 CD LYS A 18 14.316 7.910 -3.558 1.00 70.30 C ATOM 273 CE LYS A 18 14.650 8.964 -2.492 1.00 73.11 C ATOM 274 NZ LYS A 18 15.868 8.609 -1.722 1.00 20.00 N ATOM 0 H LYS A 18 11.389 5.427 -6.630 1.00 31.23 H new ATOM 0 HA LYS A 18 10.656 7.996 -5.601 1.00 22.14 H new ATOM 0 HB2 LYS A 18 12.421 6.292 -4.754 1.00 0.25 H new ATOM 0 HB3 LYS A 18 13.463 6.889 -6.030 1.00 0.25 H new ATOM 0 HG2 LYS A 18 13.390 9.176 -5.053 1.00 3.52 H new ATOM 0 HG3 LYS A 18 12.286 8.627 -3.807 1.00 3.52 H new ATOM 0 HD2 LYS A 18 14.097 6.961 -3.068 1.00 70.30 H new ATOM 0 HD3 LYS A 18 15.190 7.749 -4.190 1.00 70.30 H new ATOM 0 HE2 LYS A 18 14.794 9.932 -2.972 1.00 73.11 H new ATOM 0 HE3 LYS A 18 13.807 9.069 -1.809 1.00 73.11 H new ATOM 0 HZ1 LYS A 18 16.058 9.346 -1.013 1.00 20.00 H new ATOM 0 HZ2 LYS A 18 15.722 7.698 -1.243 1.00 20.00 H new ATOM 0 HZ3 LYS A 18 16.678 8.534 -2.369 1.00 20.00 H new ATOM 288 N GLY A 19 11.119 9.657 -7.381 1.00 4.31 N ATOM 289 CA GLY A 19 11.313 10.667 -8.436 1.00 34.11 C ATOM 290 C GLY A 19 10.461 10.419 -9.691 1.00 21.11 C ATOM 291 O GLY A 19 10.544 11.188 -10.656 1.00 22.35 O ATOM 0 H GLY A 19 10.455 9.936 -6.658 1.00 4.31 H new ATOM 0 HA2 GLY A 19 11.073 11.651 -8.033 1.00 34.11 H new ATOM 0 HA3 GLY A 19 12.365 10.686 -8.720 1.00 34.11 H new ATOM 295 N ALA A 20 9.637 9.347 -9.676 1.00 72.33 N ATOM 296 CA ALA A 20 8.728 9.007 -10.793 1.00 22.41 C ATOM 297 C ALA A 20 7.521 9.970 -10.842 1.00 32.21 C ATOM 298 O ALA A 20 6.906 10.275 -9.809 1.00 64.05 O ATOM 299 CB ALA A 20 8.257 7.546 -10.689 1.00 32.54 C ATOM 0 H ALA A 20 9.584 8.696 -8.893 1.00 72.33 H new ATOM 0 HA ALA A 20 9.285 9.120 -11.723 1.00 22.41 H new ATOM 0 HB1 ALA A 20 7.590 7.319 -11.521 1.00 32.54 H new ATOM 0 HB2 ALA A 20 9.121 6.882 -10.725 1.00 32.54 H new ATOM 0 HB3 ALA A 20 7.726 7.401 -9.748 1.00 32.54 H new ATOM 305 N GLU A 21 7.195 10.430 -12.058 1.00 31.24 N ATOM 306 CA GLU A 21 6.128 11.418 -12.293 1.00 0.35 C ATOM 307 C GLU A 21 4.744 10.717 -12.335 1.00 31.20 C ATOM 308 O GLU A 21 4.414 10.027 -13.305 1.00 11.20 O ATOM 309 CB GLU A 21 6.439 12.188 -13.607 1.00 73.41 C ATOM 310 CG GLU A 21 5.506 13.370 -13.924 1.00 64.54 C ATOM 311 CD GLU A 21 5.939 14.164 -15.172 1.00 43.11 C ATOM 312 OE1 GLU A 21 5.654 13.713 -16.304 1.00 22.34 O ATOM 313 OE2 GLU A 21 6.583 15.229 -15.023 1.00 11.41 O ATOM 0 H GLU A 21 7.665 10.127 -12.911 1.00 31.24 H new ATOM 0 HA GLU A 21 6.091 12.137 -11.475 1.00 0.35 H new ATOM 0 HB2 GLU A 21 7.462 12.560 -13.555 1.00 73.41 H new ATOM 0 HB3 GLU A 21 6.398 11.484 -14.438 1.00 73.41 H new ATOM 0 HG2 GLU A 21 4.493 12.996 -14.072 1.00 64.54 H new ATOM 0 HG3 GLU A 21 5.476 14.041 -13.066 1.00 64.54 H new ATOM 320 N ALA A 22 3.977 10.860 -11.243 1.00 31.25 N ATOM 321 CA ALA A 22 2.657 10.206 -11.063 1.00 4.55 C ATOM 322 C ALA A 22 1.456 11.148 -11.370 1.00 13.00 C ATOM 323 O ALA A 22 1.588 12.376 -11.388 1.00 21.24 O ATOM 324 CB ALA A 22 2.549 9.657 -9.628 1.00 70.44 C ATOM 0 H ALA A 22 4.252 11.437 -10.448 1.00 31.25 H new ATOM 0 HA ALA A 22 2.600 9.393 -11.787 1.00 4.55 H new ATOM 0 HB1 ALA A 22 1.580 9.176 -9.494 1.00 70.44 H new ATOM 0 HB2 ALA A 22 3.342 8.929 -9.456 1.00 70.44 H new ATOM 0 HB3 ALA A 22 2.649 10.477 -8.916 1.00 70.44 H new ATOM 330 N THR A 23 0.290 10.529 -11.623 1.00 55.22 N ATOM 331 CA THR A 23 -1.016 11.212 -11.771 1.00 45.42 C ATOM 332 C THR A 23 -2.066 10.454 -10.932 1.00 14.32 C ATOM 333 O THR A 23 -2.107 9.226 -10.952 1.00 74.21 O ATOM 334 CB THR A 23 -1.492 11.265 -13.267 1.00 4.21 C ATOM 335 OG1 THR A 23 -0.535 11.965 -14.073 1.00 11.21 O ATOM 336 CG2 THR A 23 -2.879 11.927 -13.427 1.00 20.12 C ATOM 0 H THR A 23 0.223 9.517 -11.734 1.00 55.22 H new ATOM 0 HA THR A 23 -0.902 12.240 -11.426 1.00 45.42 H new ATOM 0 HB THR A 23 -1.577 10.231 -13.603 1.00 4.21 H new ATOM 0 HG1 THR A 23 -0.797 12.906 -14.148 1.00 11.21 H new ATOM 0 HG21 THR A 23 -3.158 11.937 -14.481 1.00 20.12 H new ATOM 0 HG22 THR A 23 -3.619 11.362 -12.861 1.00 20.12 H new ATOM 0 HG23 THR A 23 -2.839 12.950 -13.053 1.00 20.12 H new ATOM 344 N VAL A 24 -2.911 11.188 -10.201 1.00 1.30 N ATOM 345 CA VAL A 24 -3.925 10.591 -9.305 1.00 24.14 C ATOM 346 C VAL A 24 -5.193 10.185 -10.099 1.00 61.22 C ATOM 347 O VAL A 24 -5.910 11.042 -10.597 1.00 12.34 O ATOM 348 CB VAL A 24 -4.290 11.595 -8.148 1.00 20.14 C ATOM 349 CG1 VAL A 24 -5.325 10.992 -7.159 1.00 1.42 C ATOM 350 CG2 VAL A 24 -3.009 12.058 -7.407 1.00 12.43 C ATOM 0 H VAL A 24 -2.917 12.208 -10.208 1.00 1.30 H new ATOM 0 HA VAL A 24 -3.504 9.689 -8.861 1.00 24.14 H new ATOM 0 HB VAL A 24 -4.760 12.467 -8.603 1.00 20.14 H new ATOM 0 HG11 VAL A 24 -5.548 11.719 -6.378 1.00 1.42 H new ATOM 0 HG12 VAL A 24 -6.241 10.745 -7.696 1.00 1.42 H new ATOM 0 HG13 VAL A 24 -4.914 10.089 -6.708 1.00 1.42 H new ATOM 0 HG21 VAL A 24 -3.280 12.751 -6.611 1.00 12.43 H new ATOM 0 HG22 VAL A 24 -2.504 11.193 -6.978 1.00 12.43 H new ATOM 0 HG23 VAL A 24 -2.342 12.556 -8.110 1.00 12.43 H new ATOM 360 N THR A 25 -5.447 8.874 -10.232 1.00 64.42 N ATOM 361 CA THR A 25 -6.673 8.353 -10.896 1.00 35.13 C ATOM 362 C THR A 25 -7.856 8.245 -9.903 1.00 72.52 C ATOM 363 O THR A 25 -9.018 8.188 -10.327 1.00 13.25 O ATOM 364 CB THR A 25 -6.436 6.947 -11.548 1.00 63.31 C ATOM 365 OG1 THR A 25 -6.075 5.988 -10.549 1.00 3.41 O ATOM 366 CG2 THR A 25 -5.341 6.985 -12.622 1.00 21.02 C ATOM 0 H THR A 25 -4.822 8.144 -9.890 1.00 64.42 H new ATOM 0 HA THR A 25 -6.919 9.071 -11.678 1.00 35.13 H new ATOM 0 HB THR A 25 -7.373 6.658 -12.024 1.00 63.31 H new ATOM 0 HG1 THR A 25 -5.639 6.445 -9.800 1.00 3.41 H new ATOM 0 HG21 THR A 25 -5.212 5.989 -13.045 1.00 21.02 H new ATOM 0 HG22 THR A 25 -5.629 7.680 -13.411 1.00 21.02 H new ATOM 0 HG23 THR A 25 -4.403 7.313 -12.174 1.00 21.02 H new ATOM 374 N GLY A 26 -7.554 8.214 -8.587 1.00 54.23 N ATOM 375 CA GLY A 26 -8.596 8.110 -7.554 1.00 0.13 C ATOM 376 C GLY A 26 -8.070 8.276 -6.125 1.00 24.31 C ATOM 377 O GLY A 26 -6.858 8.211 -5.885 1.00 52.42 O ATOM 0 H GLY A 26 -6.603 8.259 -8.221 1.00 54.23 H new ATOM 0 HA2 GLY A 26 -9.357 8.868 -7.741 1.00 0.13 H new ATOM 0 HA3 GLY A 26 -9.085 7.140 -7.641 1.00 0.13 H new ATOM 381 N ALA A 27 -9.003 8.472 -5.175 1.00 73.25 N ATOM 382 CA ALA A 27 -8.696 8.699 -3.745 1.00 20.43 C ATOM 383 C ALA A 27 -9.580 7.806 -2.841 1.00 42.41 C ATOM 384 O ALA A 27 -10.774 7.628 -3.106 1.00 71.34 O ATOM 385 CB ALA A 27 -8.889 10.187 -3.398 1.00 40.21 C ATOM 0 H ALA A 27 -10.003 8.478 -5.378 1.00 73.25 H new ATOM 0 HA ALA A 27 -7.656 8.427 -3.565 1.00 20.43 H new ATOM 0 HB1 ALA A 27 -8.661 10.347 -2.344 1.00 40.21 H new ATOM 0 HB2 ALA A 27 -8.221 10.793 -4.010 1.00 40.21 H new ATOM 0 HB3 ALA A 27 -9.922 10.475 -3.594 1.00 40.21 H new ATOM 391 N TYR A 28 -8.975 7.232 -1.787 1.00 65.02 N ATOM 392 CA TYR A 28 -9.657 6.346 -0.811 1.00 4.24 C ATOM 393 C TYR A 28 -9.376 6.840 0.630 1.00 61.43 C ATOM 394 O TYR A 28 -8.244 6.762 1.106 1.00 25.11 O ATOM 395 CB TYR A 28 -9.159 4.876 -0.965 1.00 21.53 C ATOM 396 CG TYR A 28 -9.447 4.206 -2.325 1.00 63.04 C ATOM 397 CD1 TYR A 28 -8.712 4.536 -3.475 1.00 64.10 C ATOM 398 CD2 TYR A 28 -10.428 3.216 -2.454 1.00 2.33 C ATOM 399 CE1 TYR A 28 -8.955 3.915 -4.689 1.00 24.20 C ATOM 400 CE2 TYR A 28 -10.673 2.597 -3.666 1.00 62.03 C ATOM 401 CZ TYR A 28 -9.931 2.943 -4.778 1.00 24.34 C ATOM 402 OH TYR A 28 -10.169 2.319 -5.989 1.00 41.05 O ATOM 0 H TYR A 28 -7.985 7.368 -1.581 1.00 65.02 H new ATOM 0 HA TYR A 28 -10.729 6.376 -1.005 1.00 4.24 H new ATOM 0 HB2 TYR A 28 -8.083 4.858 -0.793 1.00 21.53 H new ATOM 0 HB3 TYR A 28 -9.617 4.274 -0.181 1.00 21.53 H new ATOM 0 HD1 TYR A 28 -7.941 5.290 -3.412 1.00 64.10 H new ATOM 0 HD2 TYR A 28 -11.006 2.929 -1.588 1.00 2.33 H new ATOM 0 HE1 TYR A 28 -8.383 4.190 -5.563 1.00 24.20 H new ATOM 0 HE2 TYR A 28 -11.443 1.844 -3.743 1.00 62.03 H new ATOM 0 HH TYR A 28 -9.520 2.633 -6.652 1.00 41.05 H new ATOM 412 N ASP A 29 -10.405 7.346 1.319 1.00 72.40 N ATOM 413 CA ASP A 29 -10.282 7.847 2.710 1.00 45.43 C ATOM 414 C ASP A 29 -10.744 6.759 3.721 1.00 11.42 C ATOM 415 O ASP A 29 -11.871 6.772 4.222 1.00 70.21 O ATOM 416 CB ASP A 29 -11.052 9.194 2.871 1.00 44.34 C ATOM 417 CG ASP A 29 -12.516 9.132 2.390 1.00 12.12 C ATOM 418 OD1 ASP A 29 -12.745 9.093 1.159 1.00 71.34 O ATOM 419 OD2 ASP A 29 -13.439 9.101 3.233 1.00 71.12 O ATOM 0 H ASP A 29 -11.348 7.424 0.937 1.00 72.40 H new ATOM 0 HA ASP A 29 -9.235 8.055 2.931 1.00 45.43 H new ATOM 0 HB2 ASP A 29 -11.036 9.489 3.920 1.00 44.34 H new ATOM 0 HB3 ASP A 29 -10.528 9.971 2.314 1.00 44.34 H new ATOM 424 N THR A 30 -9.852 5.790 3.982 1.00 60.35 N ATOM 425 CA THR A 30 -10.137 4.620 4.858 1.00 15.20 C ATOM 426 C THR A 30 -8.985 4.362 5.857 1.00 34.40 C ATOM 427 O THR A 30 -7.915 4.977 5.759 1.00 24.13 O ATOM 428 CB THR A 30 -10.413 3.334 3.997 1.00 73.02 C ATOM 429 OG1 THR A 30 -10.716 2.202 4.837 1.00 21.21 O ATOM 430 CG2 THR A 30 -9.228 2.987 3.071 1.00 65.34 C ATOM 0 H THR A 30 -8.908 5.787 3.595 1.00 60.35 H new ATOM 0 HA THR A 30 -11.032 4.854 5.434 1.00 15.20 H new ATOM 0 HB THR A 30 -11.277 3.560 3.372 1.00 73.02 H new ATOM 0 HG1 THR A 30 -10.885 1.415 4.277 1.00 21.21 H new ATOM 0 HG21 THR A 30 -9.465 2.092 2.496 1.00 65.34 H new ATOM 0 HG22 THR A 30 -9.044 3.817 2.389 1.00 65.34 H new ATOM 0 HG23 THR A 30 -8.337 2.807 3.672 1.00 65.34 H new ATOM 438 N THR A 31 -9.217 3.449 6.822 1.00 64.31 N ATOM 439 CA THR A 31 -8.202 3.062 7.824 1.00 63.13 C ATOM 440 C THR A 31 -7.123 2.171 7.163 1.00 24.32 C ATOM 441 O THR A 31 -7.438 1.097 6.628 1.00 1.25 O ATOM 442 CB THR A 31 -8.840 2.297 9.041 1.00 23.32 C ATOM 443 OG1 THR A 31 -10.126 2.852 9.361 1.00 65.24 O ATOM 444 CG2 THR A 31 -7.943 2.370 10.296 1.00 41.14 C ATOM 0 H THR A 31 -10.107 2.962 6.929 1.00 64.31 H new ATOM 0 HA THR A 31 -7.749 3.978 8.203 1.00 63.13 H new ATOM 0 HB THR A 31 -8.944 1.253 8.744 1.00 23.32 H new ATOM 0 HG1 THR A 31 -10.513 2.366 10.119 1.00 65.24 H new ATOM 0 HG21 THR A 31 -8.418 1.830 11.115 1.00 41.14 H new ATOM 0 HG22 THR A 31 -6.975 1.920 10.078 1.00 41.14 H new ATOM 0 HG23 THR A 31 -7.802 3.412 10.582 1.00 41.14 H new ATOM 452 N ALA A 32 -5.859 2.616 7.219 1.00 15.14 N ATOM 453 CA ALA A 32 -4.729 1.959 6.531 1.00 33.31 C ATOM 454 C ALA A 32 -3.682 1.477 7.557 1.00 22.24 C ATOM 455 O ALA A 32 -3.476 2.102 8.600 1.00 42.01 O ATOM 456 CB ALA A 32 -4.107 2.921 5.518 1.00 63.41 C ATOM 0 H ALA A 32 -5.587 3.446 7.745 1.00 15.14 H new ATOM 0 HA ALA A 32 -5.097 1.085 5.994 1.00 33.31 H new ATOM 0 HB1 ALA A 32 -3.274 2.430 5.014 1.00 63.41 H new ATOM 0 HB2 ALA A 32 -4.857 3.209 4.782 1.00 63.41 H new ATOM 0 HB3 ALA A 32 -3.745 3.810 6.035 1.00 63.41 H new ATOM 462 N TYR A 33 -3.006 0.367 7.241 1.00 75.33 N ATOM 463 CA TYR A 33 -2.166 -0.364 8.216 1.00 52.43 C ATOM 464 C TYR A 33 -0.776 -0.704 7.659 1.00 12.05 C ATOM 465 O TYR A 33 -0.563 -0.820 6.446 1.00 33.53 O ATOM 466 CB TYR A 33 -2.871 -1.676 8.664 1.00 40.12 C ATOM 467 CG TYR A 33 -4.237 -1.452 9.330 1.00 72.10 C ATOM 468 CD1 TYR A 33 -4.320 -0.997 10.642 1.00 51.44 C ATOM 469 CD2 TYR A 33 -5.433 -1.684 8.643 1.00 75.11 C ATOM 470 CE1 TYR A 33 -5.536 -0.778 11.247 1.00 41.34 C ATOM 471 CE2 TYR A 33 -6.653 -1.467 9.248 1.00 23.33 C ATOM 472 CZ TYR A 33 -6.698 -1.015 10.551 1.00 64.34 C ATOM 473 OH TYR A 33 -7.914 -0.801 11.168 1.00 20.33 O ATOM 0 H TYR A 33 -3.020 -0.053 6.312 1.00 75.33 H new ATOM 0 HA TYR A 33 -2.031 0.301 9.069 1.00 52.43 H new ATOM 0 HB2 TYR A 33 -3.003 -2.321 7.795 1.00 40.12 H new ATOM 0 HB3 TYR A 33 -2.221 -2.207 9.360 1.00 40.12 H new ATOM 0 HD1 TYR A 33 -3.412 -0.812 11.197 1.00 51.44 H new ATOM 0 HD2 TYR A 33 -5.401 -2.038 7.623 1.00 75.11 H new ATOM 0 HE1 TYR A 33 -5.578 -0.421 12.265 1.00 41.34 H new ATOM 0 HE2 TYR A 33 -7.568 -1.650 8.705 1.00 23.33 H new ATOM 0 HH TYR A 33 -8.551 -1.488 10.882 1.00 20.33 H new ATOM 483 N VAL A 34 0.155 -0.855 8.598 1.00 13.24 N ATOM 484 CA VAL A 34 1.488 -1.419 8.375 1.00 32.04 C ATOM 485 C VAL A 34 1.496 -2.850 8.965 1.00 70.44 C ATOM 486 O VAL A 34 0.997 -3.050 10.071 1.00 41.34 O ATOM 487 CB VAL A 34 2.585 -0.528 9.065 1.00 50.45 C ATOM 488 CG1 VAL A 34 4.003 -1.091 8.857 1.00 0.22 C ATOM 489 CG2 VAL A 34 2.496 0.937 8.578 1.00 32.45 C ATOM 0 H VAL A 34 -0.001 -0.580 9.568 1.00 13.24 H new ATOM 0 HA VAL A 34 1.715 -1.449 7.309 1.00 32.04 H new ATOM 0 HB VAL A 34 2.385 -0.546 10.136 1.00 50.45 H new ATOM 0 HG11 VAL A 34 4.728 -0.443 9.351 1.00 0.22 H new ATOM 0 HG12 VAL A 34 4.063 -2.093 9.282 1.00 0.22 H new ATOM 0 HG13 VAL A 34 4.224 -1.136 7.791 1.00 0.22 H new ATOM 0 HG21 VAL A 34 3.265 1.532 9.071 1.00 32.45 H new ATOM 0 HG22 VAL A 34 2.646 0.971 7.499 1.00 32.45 H new ATOM 0 HG23 VAL A 34 1.514 1.342 8.821 1.00 32.45 H new ATOM 499 N VAL A 35 2.021 -3.844 8.223 1.00 74.55 N ATOM 500 CA VAL A 35 2.028 -5.271 8.653 1.00 10.23 C ATOM 501 C VAL A 35 3.413 -5.933 8.504 1.00 3.54 C ATOM 502 O VAL A 35 4.319 -5.405 7.856 1.00 14.53 O ATOM 503 CB VAL A 35 0.967 -6.140 7.861 1.00 71.51 C ATOM 504 CG1 VAL A 35 -0.475 -5.802 8.292 1.00 45.43 C ATOM 505 CG2 VAL A 35 1.144 -5.986 6.324 1.00 33.45 C ATOM 0 H VAL A 35 2.452 -3.690 7.312 1.00 74.55 H new ATOM 0 HA VAL A 35 1.761 -5.247 9.710 1.00 10.23 H new ATOM 0 HB VAL A 35 1.149 -7.185 8.113 1.00 71.51 H new ATOM 0 HG11 VAL A 35 -1.177 -6.417 7.728 1.00 45.43 H new ATOM 0 HG12 VAL A 35 -0.592 -6.001 9.357 1.00 45.43 H new ATOM 0 HG13 VAL A 35 -0.676 -4.749 8.095 1.00 45.43 H new ATOM 0 HG21 VAL A 35 0.401 -6.595 5.809 1.00 33.45 H new ATOM 0 HG22 VAL A 35 1.012 -4.940 6.046 1.00 33.45 H new ATOM 0 HG23 VAL A 35 2.143 -6.315 6.038 1.00 33.45 H new ATOM 515 N SER A 36 3.538 -7.103 9.143 1.00 22.03 N ATOM 516 CA SER A 36 4.674 -8.023 8.986 1.00 71.12 C ATOM 517 C SER A 36 4.126 -9.456 8.781 1.00 12.41 C ATOM 518 O SER A 36 3.299 -9.927 9.573 1.00 41.14 O ATOM 519 CB SER A 36 5.606 -7.962 10.216 1.00 64.14 C ATOM 520 OG SER A 36 6.724 -8.822 10.061 1.00 11.14 O ATOM 0 H SER A 36 2.836 -7.445 9.799 1.00 22.03 H new ATOM 0 HA SER A 36 5.264 -7.729 8.118 1.00 71.12 H new ATOM 0 HB2 SER A 36 5.950 -6.938 10.363 1.00 64.14 H new ATOM 0 HB3 SER A 36 5.050 -8.243 11.110 1.00 64.14 H new ATOM 0 HG SER A 36 7.296 -8.761 10.854 1.00 11.14 H new ATOM 526 N TYR A 37 4.581 -10.133 7.715 1.00 24.12 N ATOM 527 CA TYR A 37 4.022 -11.431 7.268 1.00 62.44 C ATOM 528 C TYR A 37 5.056 -12.228 6.459 1.00 34.24 C ATOM 529 O TYR A 37 6.010 -11.661 5.919 1.00 41.31 O ATOM 530 CB TYR A 37 2.743 -11.224 6.401 1.00 53.14 C ATOM 531 CG TYR A 37 2.964 -10.459 5.076 1.00 13.22 C ATOM 532 CD1 TYR A 37 3.012 -9.066 5.054 1.00 44.44 C ATOM 533 CD2 TYR A 37 3.132 -11.132 3.852 1.00 41.43 C ATOM 534 CE1 TYR A 37 3.215 -8.377 3.880 1.00 11.45 C ATOM 535 CE2 TYR A 37 3.339 -10.437 2.676 1.00 74.23 C ATOM 536 CZ TYR A 37 3.379 -9.060 2.697 1.00 64.40 C ATOM 537 OH TYR A 37 3.587 -8.359 1.529 1.00 24.01 O ATOM 0 H TYR A 37 5.349 -9.799 7.133 1.00 24.12 H new ATOM 0 HA TYR A 37 3.758 -11.993 8.164 1.00 62.44 H new ATOM 0 HB2 TYR A 37 2.317 -12.201 6.172 1.00 53.14 H new ATOM 0 HB3 TYR A 37 2.004 -10.685 6.994 1.00 53.14 H new ATOM 0 HD1 TYR A 37 2.888 -8.517 5.976 1.00 44.44 H new ATOM 0 HD2 TYR A 37 3.099 -12.211 3.831 1.00 41.43 H new ATOM 0 HE1 TYR A 37 3.246 -7.297 3.887 1.00 11.45 H new ATOM 0 HE2 TYR A 37 3.469 -10.970 1.746 1.00 74.23 H new ATOM 0 HH TYR A 37 2.839 -8.517 0.915 1.00 24.01 H new ATOM 547 N THR A 38 4.834 -13.546 6.354 1.00 5.53 N ATOM 548 CA THR A 38 5.642 -14.428 5.491 1.00 53.35 C ATOM 549 C THR A 38 4.780 -14.874 4.290 1.00 15.31 C ATOM 550 O THR A 38 3.721 -15.484 4.502 1.00 41.04 O ATOM 551 CB THR A 38 6.167 -15.696 6.251 1.00 65.21 C ATOM 552 OG1 THR A 38 6.866 -15.291 7.437 1.00 41.54 O ATOM 553 CG2 THR A 38 7.116 -16.548 5.374 1.00 55.14 C ATOM 0 H THR A 38 4.094 -14.031 6.861 1.00 5.53 H new ATOM 0 HA THR A 38 6.514 -13.864 5.161 1.00 53.35 H new ATOM 0 HB THR A 38 5.301 -16.307 6.505 1.00 65.21 H new ATOM 0 HG1 THR A 38 7.192 -16.084 7.912 1.00 41.54 H new ATOM 0 HG21 THR A 38 7.455 -17.415 5.941 1.00 55.14 H new ATOM 0 HG22 THR A 38 6.585 -16.882 4.482 1.00 55.14 H new ATOM 0 HG23 THR A 38 7.977 -15.948 5.080 1.00 55.14 H new ATOM 561 N PRO A 39 5.183 -14.554 3.016 1.00 60.40 N ATOM 562 CA PRO A 39 4.499 -15.093 1.812 1.00 52.33 C ATOM 563 C PRO A 39 4.576 -16.649 1.747 1.00 31.23 C ATOM 564 O PRO A 39 5.653 -17.237 1.925 1.00 32.01 O ATOM 565 CB PRO A 39 5.257 -14.421 0.627 1.00 50.41 C ATOM 566 CG PRO A 39 6.573 -13.999 1.207 1.00 1.31 C ATOM 567 CD PRO A 39 6.286 -13.630 2.646 1.00 31.20 C ATOM 0 HA PRO A 39 3.431 -14.874 1.803 1.00 52.33 H new ATOM 0 HB2 PRO A 39 5.394 -15.117 -0.201 1.00 50.41 H new ATOM 0 HB3 PRO A 39 4.704 -13.567 0.237 1.00 50.41 H new ATOM 0 HG2 PRO A 39 7.304 -14.806 1.148 1.00 1.31 H new ATOM 0 HG3 PRO A 39 6.988 -13.152 0.661 1.00 1.31 H new ATOM 0 HD2 PRO A 39 7.161 -13.772 3.281 1.00 31.20 H new ATOM 0 HD3 PRO A 39 5.987 -12.586 2.743 1.00 31.20 H new ATOM 575 N THR A 40 3.420 -17.296 1.466 1.00 3.34 N ATOM 576 CA THR A 40 3.289 -18.784 1.403 1.00 44.25 C ATOM 577 C THR A 40 4.109 -19.419 0.247 1.00 72.05 C ATOM 578 O THR A 40 4.210 -20.646 0.151 1.00 2.30 O ATOM 579 CB THR A 40 1.789 -19.206 1.257 1.00 25.45 C ATOM 580 OG1 THR A 40 1.236 -18.614 0.073 1.00 53.23 O ATOM 581 CG2 THR A 40 0.945 -18.792 2.482 1.00 44.03 C ATOM 0 H THR A 40 2.546 -16.806 1.275 1.00 3.34 H new ATOM 0 HA THR A 40 3.694 -19.158 2.343 1.00 44.25 H new ATOM 0 HB THR A 40 1.759 -20.293 1.187 1.00 25.45 H new ATOM 0 HG1 THR A 40 0.297 -18.880 -0.018 1.00 53.23 H new ATOM 0 HG21 THR A 40 -0.088 -19.106 2.335 1.00 44.03 H new ATOM 0 HG22 THR A 40 1.345 -19.268 3.377 1.00 44.03 H new ATOM 0 HG23 THR A 40 0.982 -17.709 2.600 1.00 44.03 H new ATOM 589 N ASN A 41 4.687 -18.564 -0.615 1.00 3.54 N ATOM 590 CA ASN A 41 5.644 -18.954 -1.677 1.00 31.50 C ATOM 591 C ASN A 41 6.958 -19.590 -1.114 1.00 32.32 C ATOM 592 O ASN A 41 7.667 -20.299 -1.839 1.00 54.43 O ATOM 593 CB ASN A 41 5.948 -17.675 -2.519 1.00 42.22 C ATOM 594 CG ASN A 41 7.049 -17.847 -3.574 1.00 32.22 C ATOM 595 OD1 ASN A 41 6.807 -18.325 -4.671 1.00 40.50 O ATOM 596 ND2 ASN A 41 8.260 -17.433 -3.252 1.00 71.04 N ATOM 0 H ASN A 41 4.501 -17.561 -0.596 1.00 3.54 H new ATOM 0 HA ASN A 41 5.197 -19.732 -2.295 1.00 31.50 H new ATOM 0 HB2 ASN A 41 5.032 -17.359 -3.018 1.00 42.22 H new ATOM 0 HB3 ASN A 41 6.235 -16.871 -1.842 1.00 42.22 H new ATOM 0 HD21 ASN A 41 9.021 -17.509 -3.927 1.00 71.04 H new ATOM 0 HD22 ASN A 41 8.435 -17.037 -2.328 1.00 71.04 H new ATOM 603 N GLY A 42 7.243 -19.379 0.186 1.00 75.52 N ATOM 604 CA GLY A 42 8.517 -19.808 0.784 1.00 32.11 C ATOM 605 C GLY A 42 9.656 -18.858 0.423 1.00 2.13 C ATOM 606 O GLY A 42 10.673 -19.263 -0.153 1.00 62.24 O ATOM 0 H GLY A 42 6.609 -18.916 0.837 1.00 75.52 H new ATOM 0 HA2 GLY A 42 8.413 -19.856 1.868 1.00 32.11 H new ATOM 0 HA3 GLY A 42 8.760 -20.814 0.442 1.00 32.11 H new ATOM 610 N GLY A 43 9.461 -17.581 0.775 1.00 4.15 N ATOM 611 CA GLY A 43 10.393 -16.504 0.408 1.00 32.24 C ATOM 612 C GLY A 43 10.770 -15.613 1.589 1.00 31.25 C ATOM 613 O GLY A 43 10.721 -16.049 2.747 1.00 72.04 O ATOM 0 H GLY A 43 8.658 -17.265 1.319 1.00 4.15 H new ATOM 0 HA2 GLY A 43 11.298 -16.942 -0.013 1.00 32.24 H new ATOM 0 HA3 GLY A 43 9.942 -15.891 -0.373 1.00 32.24 H new ATOM 617 N GLN A 44 11.170 -14.369 1.281 1.00 31.20 N ATOM 618 CA GLN A 44 11.526 -13.355 2.292 1.00 44.21 C ATOM 619 C GLN A 44 10.275 -12.890 3.066 1.00 13.34 C ATOM 620 O GLN A 44 9.328 -12.385 2.458 1.00 11.23 O ATOM 621 CB GLN A 44 12.217 -12.136 1.611 1.00 41.13 C ATOM 622 CG GLN A 44 12.557 -10.953 2.556 1.00 61.24 C ATOM 623 CD GLN A 44 13.539 -11.307 3.683 1.00 32.13 C ATOM 624 OE1 GLN A 44 14.433 -12.136 3.518 1.00 5.43 O ATOM 625 NE2 GLN A 44 13.375 -10.691 4.835 1.00 12.05 N ATOM 0 H GLN A 44 11.257 -14.035 0.321 1.00 31.20 H new ATOM 0 HA GLN A 44 12.220 -13.807 3.000 1.00 44.21 H new ATOM 0 HB2 GLN A 44 13.138 -12.478 1.139 1.00 41.13 H new ATOM 0 HB3 GLN A 44 11.568 -11.769 0.816 1.00 41.13 H new ATOM 0 HG2 GLN A 44 12.979 -10.140 1.965 1.00 61.24 H new ATOM 0 HG3 GLN A 44 11.633 -10.580 2.998 1.00 61.24 H new ATOM 0 HE21 GLN A 44 12.626 -10.008 4.946 1.00 12.05 H new ATOM 0 HE22 GLN A 44 13.997 -10.897 5.617 1.00 12.05 H new ATOM 634 N ARG A 45 10.272 -13.107 4.396 1.00 73.35 N ATOM 635 CA ARG A 45 9.280 -12.504 5.307 1.00 32.32 C ATOM 636 C ARG A 45 9.324 -10.959 5.164 1.00 20.04 C ATOM 637 O ARG A 45 10.352 -10.327 5.432 1.00 32.13 O ATOM 638 CB ARG A 45 9.563 -12.982 6.779 1.00 61.44 C ATOM 639 CG ARG A 45 8.596 -12.479 7.901 1.00 32.04 C ATOM 640 CD ARG A 45 8.958 -11.084 8.468 1.00 1.35 C ATOM 641 NE ARG A 45 10.311 -11.061 9.062 1.00 52.42 N ATOM 642 CZ ARG A 45 11.273 -10.198 8.783 1.00 32.44 C ATOM 643 NH1 ARG A 45 11.150 -9.339 7.833 1.00 55.03 N ATOM 644 NH2 ARG A 45 12.379 -10.241 9.434 1.00 41.14 N ATOM 0 H ARG A 45 10.954 -13.702 4.867 1.00 73.35 H new ATOM 0 HA ARG A 45 8.272 -12.828 5.048 1.00 32.32 H new ATOM 0 HB2 ARG A 45 9.549 -14.072 6.787 1.00 61.44 H new ATOM 0 HB3 ARG A 45 10.574 -12.674 7.044 1.00 61.44 H new ATOM 0 HG2 ARG A 45 7.582 -12.446 7.504 1.00 32.04 H new ATOM 0 HG3 ARG A 45 8.596 -13.202 8.717 1.00 32.04 H new ATOM 0 HD2 ARG A 45 8.899 -10.343 7.671 1.00 1.35 H new ATOM 0 HD3 ARG A 45 8.226 -10.799 9.223 1.00 1.35 H new ATOM 0 HE ARG A 45 10.523 -11.780 9.754 1.00 52.42 H new ATOM 0 HH11 ARG A 45 10.296 -9.314 7.276 1.00 55.03 H new ATOM 0 HH12 ARG A 45 11.906 -8.683 7.637 1.00 55.03 H new ATOM 0 HH21 ARG A 45 12.514 -10.940 10.165 1.00 41.14 H new ATOM 0 HH22 ARG A 45 13.123 -9.576 9.221 1.00 41.14 H new ATOM 658 N VAL A 46 8.215 -10.379 4.699 1.00 22.22 N ATOM 659 CA VAL A 46 8.106 -8.936 4.441 1.00 55.41 C ATOM 660 C VAL A 46 7.638 -8.202 5.715 1.00 14.34 C ATOM 661 O VAL A 46 6.518 -8.415 6.190 1.00 74.43 O ATOM 662 CB VAL A 46 7.118 -8.653 3.251 1.00 15.42 C ATOM 663 CG1 VAL A 46 7.077 -7.149 2.884 1.00 1.33 C ATOM 664 CG2 VAL A 46 7.475 -9.521 2.017 1.00 43.02 C ATOM 0 H VAL A 46 7.362 -10.897 4.489 1.00 22.22 H new ATOM 0 HA VAL A 46 9.091 -8.562 4.160 1.00 55.41 H new ATOM 0 HB VAL A 46 6.118 -8.931 3.583 1.00 15.42 H new ATOM 0 HG11 VAL A 46 6.383 -6.995 2.058 1.00 1.33 H new ATOM 0 HG12 VAL A 46 6.746 -6.573 3.748 1.00 1.33 H new ATOM 0 HG13 VAL A 46 8.073 -6.820 2.588 1.00 1.33 H new ATOM 0 HG21 VAL A 46 6.777 -9.307 1.207 1.00 43.02 H new ATOM 0 HG22 VAL A 46 8.490 -9.291 1.692 1.00 43.02 H new ATOM 0 HG23 VAL A 46 7.409 -10.576 2.283 1.00 43.02 H new ATOM 674 N ASP A 47 8.506 -7.335 6.258 1.00 24.20 N ATOM 675 CA ASP A 47 8.215 -6.547 7.475 1.00 34.15 C ATOM 676 C ASP A 47 8.026 -5.060 7.122 1.00 12.40 C ATOM 677 O ASP A 47 8.540 -4.589 6.100 1.00 14.21 O ATOM 678 CB ASP A 47 9.349 -6.704 8.519 1.00 50.41 C ATOM 679 CG ASP A 47 10.699 -6.123 8.055 1.00 3.44 C ATOM 680 OD1 ASP A 47 11.238 -6.583 7.026 1.00 43.35 O ATOM 681 OD2 ASP A 47 11.235 -5.219 8.718 1.00 20.32 O ATOM 0 H ASP A 47 9.432 -7.157 5.868 1.00 24.20 H new ATOM 0 HA ASP A 47 7.290 -6.927 7.909 1.00 34.15 H new ATOM 0 HB2 ASP A 47 9.050 -6.212 9.445 1.00 50.41 H new ATOM 0 HB3 ASP A 47 9.477 -7.762 8.747 1.00 50.41 H new ATOM 686 N HIS A 48 7.282 -4.342 7.990 1.00 11.14 N ATOM 687 CA HIS A 48 6.995 -2.890 7.834 1.00 53.13 C ATOM 688 C HIS A 48 6.285 -2.566 6.480 1.00 31.01 C ATOM 689 O HIS A 48 6.350 -1.439 5.986 1.00 13.22 O ATOM 690 CB HIS A 48 8.296 -2.050 8.009 1.00 65.43 C ATOM 691 CG HIS A 48 8.987 -2.238 9.340 1.00 2.40 C ATOM 692 ND1 HIS A 48 10.331 -2.513 9.465 1.00 63.21 N ATOM 693 CD2 HIS A 48 8.511 -2.168 10.606 1.00 70.40 C ATOM 694 CE1 HIS A 48 10.648 -2.599 10.741 1.00 63.21 C ATOM 695 NE2 HIS A 48 9.566 -2.395 11.454 1.00 13.41 N ATOM 0 H HIS A 48 6.859 -4.750 8.824 1.00 11.14 H new ATOM 0 HA HIS A 48 6.298 -2.611 8.624 1.00 53.13 H new ATOM 0 HB2 HIS A 48 8.992 -2.311 7.212 1.00 65.43 H new ATOM 0 HB3 HIS A 48 8.052 -0.995 7.886 1.00 65.43 H new ATOM 0 HD2 HIS A 48 7.489 -1.970 10.895 1.00 70.40 H new ATOM 0 HE1 HIS A 48 11.633 -2.803 11.134 1.00 63.21 H new ATOM 0 HE2 HIS A 48 9.517 -2.404 12.473 1.00 13.41 H new ATOM 704 N HIS A 49 5.559 -3.564 5.936 1.00 72.22 N ATOM 705 CA HIS A 49 4.849 -3.455 4.643 1.00 74.23 C ATOM 706 C HIS A 49 3.623 -2.535 4.766 1.00 71.30 C ATOM 707 O HIS A 49 2.851 -2.650 5.713 1.00 15.15 O ATOM 708 CB HIS A 49 4.416 -4.863 4.156 1.00 24.23 C ATOM 709 CG HIS A 49 3.611 -4.866 2.869 1.00 73.01 C ATOM 710 ND1 HIS A 49 4.208 -4.676 1.648 1.00 31.52 N ATOM 711 CD2 HIS A 49 2.271 -5.021 2.680 1.00 24.04 C ATOM 712 CE1 HIS A 49 3.237 -4.718 0.755 1.00 42.44 C ATOM 713 NE2 HIS A 49 2.045 -4.923 1.332 1.00 33.54 N ATOM 0 H HIS A 49 5.448 -4.474 6.383 1.00 72.22 H new ATOM 0 HA HIS A 49 5.530 -3.018 3.912 1.00 74.23 H new ATOM 0 HB2 HIS A 49 5.307 -5.474 4.013 1.00 24.23 H new ATOM 0 HB3 HIS A 49 3.826 -5.339 4.939 1.00 24.23 H new ATOM 0 HD2 HIS A 49 1.529 -5.189 3.446 1.00 24.04 H new ATOM 0 HE1 HIS A 49 3.385 -4.602 -0.308 1.00 42.44 H new ATOM 0 HE2 HIS A 49 1.144 -4.993 0.859 1.00 33.54 H new ATOM 721 N LYS A 50 3.431 -1.670 3.770 1.00 11.23 N ATOM 722 CA LYS A 50 2.340 -0.685 3.787 1.00 0.14 C ATOM 723 C LYS A 50 1.991 -0.193 2.348 1.00 52.40 C ATOM 724 O LYS A 50 2.861 -0.146 1.477 1.00 33.51 O ATOM 725 CB LYS A 50 2.692 0.501 4.737 1.00 50.53 C ATOM 726 CG LYS A 50 3.894 1.358 4.302 1.00 23.41 C ATOM 727 CD LYS A 50 4.204 2.503 5.285 1.00 63.44 C ATOM 728 CE LYS A 50 5.312 3.435 4.774 1.00 24.11 C ATOM 729 NZ LYS A 50 5.599 4.532 5.731 1.00 22.54 N ATOM 0 H LYS A 50 4.017 -1.629 2.936 1.00 11.23 H new ATOM 0 HA LYS A 50 1.446 -1.172 4.177 1.00 0.14 H new ATOM 0 HB2 LYS A 50 1.818 1.147 4.823 1.00 50.53 H new ATOM 0 HB3 LYS A 50 2.893 0.101 5.731 1.00 50.53 H new ATOM 0 HG2 LYS A 50 4.773 0.720 4.207 1.00 23.41 H new ATOM 0 HG3 LYS A 50 3.696 1.777 3.315 1.00 23.41 H new ATOM 0 HD2 LYS A 50 3.298 3.083 5.459 1.00 63.44 H new ATOM 0 HD3 LYS A 50 4.502 2.082 6.245 1.00 63.44 H new ATOM 0 HE2 LYS A 50 6.220 2.858 4.601 1.00 24.11 H new ATOM 0 HE3 LYS A 50 5.016 3.859 3.814 1.00 24.11 H new ATOM 0 HZ1 LYS A 50 6.352 5.138 5.348 1.00 22.54 H new ATOM 0 HZ2 LYS A 50 4.739 5.099 5.877 1.00 22.54 H new ATOM 0 HZ3 LYS A 50 5.907 4.129 6.639 1.00 22.54 H new ATOM 743 N TRP A 51 0.710 0.162 2.074 1.00 5.22 N ATOM 744 CA TRP A 51 -0.419 0.109 3.046 1.00 51.12 C ATOM 745 C TRP A 51 -1.389 -1.045 2.722 1.00 15.44 C ATOM 746 O TRP A 51 -1.551 -1.435 1.565 1.00 52.15 O ATOM 747 CB TRP A 51 -1.161 1.474 3.075 1.00 72.05 C ATOM 748 CG TRP A 51 -0.267 2.626 3.485 1.00 42.23 C ATOM 749 CD1 TRP A 51 0.518 3.389 2.670 1.00 25.43 C ATOM 750 CD2 TRP A 51 -0.043 3.111 4.819 1.00 65.45 C ATOM 751 NE1 TRP A 51 1.202 4.316 3.408 1.00 55.12 N ATOM 752 CE2 TRP A 51 0.873 4.171 4.728 1.00 33.34 C ATOM 753 CE3 TRP A 51 -0.535 2.752 6.079 1.00 21.44 C ATOM 754 CZ2 TRP A 51 1.308 4.876 5.847 1.00 30.13 C ATOM 755 CZ3 TRP A 51 -0.107 3.451 7.190 1.00 1.31 C ATOM 756 CH2 TRP A 51 0.810 4.505 7.066 1.00 14.45 C ATOM 0 H TRP A 51 0.424 0.500 1.155 1.00 5.22 H new ATOM 0 HA TRP A 51 -0.009 -0.086 4.037 1.00 51.12 H new ATOM 0 HB2 TRP A 51 -1.575 1.677 2.087 1.00 72.05 H new ATOM 0 HB3 TRP A 51 -2.001 1.410 3.766 1.00 72.05 H new ATOM 0 HD1 TRP A 51 0.589 3.277 1.598 1.00 25.43 H new ATOM 0 HE1 TRP A 51 1.854 5.006 3.034 1.00 55.12 H new ATOM 0 HE3 TRP A 51 -1.239 1.940 6.181 1.00 21.44 H new ATOM 0 HZ2 TRP A 51 2.014 5.688 5.756 1.00 30.13 H new ATOM 0 HZ3 TRP A 51 -0.483 3.183 8.166 1.00 1.31 H new ATOM 0 HH2 TRP A 51 1.130 5.035 7.951 1.00 14.45 H new ATOM 767 N VAL A 52 -1.985 -1.606 3.783 1.00 25.54 N ATOM 768 CA VAL A 52 -3.069 -2.613 3.700 1.00 43.22 C ATOM 769 C VAL A 52 -4.295 -2.072 4.477 1.00 63.10 C ATOM 770 O VAL A 52 -4.149 -1.520 5.566 1.00 74.23 O ATOM 771 CB VAL A 52 -2.606 -4.022 4.255 1.00 54.42 C ATOM 772 CG1 VAL A 52 -1.402 -4.579 3.451 1.00 14.41 C ATOM 773 CG2 VAL A 52 -2.269 -3.971 5.766 1.00 42.12 C ATOM 0 H VAL A 52 -1.728 -1.374 4.742 1.00 25.54 H new ATOM 0 HA VAL A 52 -3.336 -2.773 2.655 1.00 43.22 H new ATOM 0 HB VAL A 52 -3.450 -4.700 4.127 1.00 54.42 H new ATOM 0 HG11 VAL A 52 -1.109 -5.547 3.858 1.00 14.41 H new ATOM 0 HG12 VAL A 52 -1.686 -4.696 2.405 1.00 14.41 H new ATOM 0 HG13 VAL A 52 -0.564 -3.886 3.524 1.00 14.41 H new ATOM 0 HG21 VAL A 52 -1.956 -4.959 6.103 1.00 42.12 H new ATOM 0 HG22 VAL A 52 -1.462 -3.258 5.935 1.00 42.12 H new ATOM 0 HG23 VAL A 52 -3.151 -3.659 6.325 1.00 42.12 H new ATOM 783 N ILE A 53 -5.506 -2.192 3.914 1.00 1.32 N ATOM 784 CA ILE A 53 -6.701 -1.483 4.460 1.00 52.21 C ATOM 785 C ILE A 53 -7.783 -2.456 4.995 1.00 13.20 C ATOM 786 O ILE A 53 -7.696 -3.672 4.797 1.00 30.41 O ATOM 787 CB ILE A 53 -7.324 -0.515 3.379 1.00 71.44 C ATOM 788 CG1 ILE A 53 -7.880 -1.318 2.155 1.00 12.25 C ATOM 789 CG2 ILE A 53 -6.285 0.549 2.920 1.00 64.42 C ATOM 790 CD1 ILE A 53 -8.534 -0.468 1.081 1.00 30.21 C ATOM 0 H ILE A 53 -5.696 -2.763 3.090 1.00 1.32 H new ATOM 0 HA ILE A 53 -6.350 -0.895 5.308 1.00 52.21 H new ATOM 0 HB ILE A 53 -8.160 0.008 3.843 1.00 71.44 H new ATOM 0 HG12 ILE A 53 -7.062 -1.881 1.705 1.00 12.25 H new ATOM 0 HG13 ILE A 53 -8.607 -2.046 2.516 1.00 12.25 H new ATOM 0 HG21 ILE A 53 -6.739 1.203 2.176 1.00 64.42 H new ATOM 0 HG22 ILE A 53 -5.967 1.141 3.778 1.00 64.42 H new ATOM 0 HG23 ILE A 53 -5.420 0.049 2.484 1.00 64.42 H new ATOM 0 HD11 ILE A 53 -8.888 -1.110 0.274 1.00 30.21 H new ATOM 0 HD12 ILE A 53 -9.377 0.075 1.509 1.00 30.21 H new ATOM 0 HD13 ILE A 53 -7.807 0.242 0.687 1.00 30.21 H new ATOM 802 N GLN A 54 -8.791 -1.883 5.691 1.00 73.11 N ATOM 803 CA GLN A 54 -9.982 -2.619 6.205 1.00 62.35 C ATOM 804 C GLN A 54 -10.697 -3.487 5.128 1.00 51.45 C ATOM 805 O GLN A 54 -11.132 -4.608 5.420 1.00 15.23 O ATOM 806 CB GLN A 54 -10.990 -1.613 6.839 1.00 73.31 C ATOM 807 CG GLN A 54 -10.545 -1.012 8.188 1.00 13.44 C ATOM 808 CD GLN A 54 -10.529 -2.040 9.329 1.00 54.41 C ATOM 809 OE1 GLN A 54 -9.532 -2.706 9.583 1.00 30.51 O ATOM 810 NE2 GLN A 54 -11.644 -2.194 10.016 1.00 3.22 N ATOM 0 H GLN A 54 -8.806 -0.888 5.917 1.00 73.11 H new ATOM 0 HA GLN A 54 -9.614 -3.315 6.959 1.00 62.35 H new ATOM 0 HB2 GLN A 54 -11.161 -0.799 6.134 1.00 73.31 H new ATOM 0 HB3 GLN A 54 -11.945 -2.119 6.980 1.00 73.31 H new ATOM 0 HG2 GLN A 54 -9.548 -0.585 8.078 1.00 13.44 H new ATOM 0 HG3 GLN A 54 -11.215 -0.194 8.453 1.00 13.44 H new ATOM 0 HE21 GLN A 54 -12.464 -1.631 9.790 1.00 3.22 H new ATOM 0 HE22 GLN A 54 -11.686 -2.876 10.773 1.00 3.22 H new ATOM 819 N GLU A 55 -10.813 -2.971 3.888 1.00 45.10 N ATOM 820 CA GLU A 55 -11.467 -3.685 2.761 1.00 22.25 C ATOM 821 C GLU A 55 -10.592 -4.862 2.233 1.00 13.03 C ATOM 822 O GLU A 55 -11.099 -5.799 1.610 1.00 41.05 O ATOM 823 CB GLU A 55 -11.752 -2.646 1.634 1.00 60.30 C ATOM 824 CG GLU A 55 -12.460 -3.180 0.364 1.00 4.34 C ATOM 825 CD GLU A 55 -13.863 -3.759 0.619 1.00 10.15 C ATOM 826 OE1 GLU A 55 -14.753 -3.008 1.076 1.00 32.32 O ATOM 827 OE2 GLU A 55 -14.081 -4.966 0.370 1.00 42.23 O ATOM 0 H GLU A 55 -10.458 -2.049 3.635 1.00 45.10 H new ATOM 0 HA GLU A 55 -12.400 -4.131 3.106 1.00 22.25 H new ATOM 0 HB2 GLU A 55 -12.362 -1.846 2.054 1.00 60.30 H new ATOM 0 HB3 GLU A 55 -10.804 -2.200 1.334 1.00 60.30 H new ATOM 0 HG2 GLU A 55 -12.540 -2.370 -0.361 1.00 4.34 H new ATOM 0 HG3 GLU A 55 -11.837 -3.952 -0.088 1.00 4.34 H new ATOM 834 N GLU A 56 -9.276 -4.814 2.515 1.00 21.12 N ATOM 835 CA GLU A 56 -8.298 -5.836 2.055 1.00 3.02 C ATOM 836 C GLU A 56 -8.118 -6.966 3.109 1.00 32.30 C ATOM 837 O GLU A 56 -7.758 -8.105 2.769 1.00 23.53 O ATOM 838 CB GLU A 56 -6.937 -5.144 1.736 1.00 34.50 C ATOM 839 CG GLU A 56 -5.827 -6.095 1.230 1.00 35.22 C ATOM 840 CD GLU A 56 -4.630 -5.370 0.588 1.00 23.35 C ATOM 841 OE1 GLU A 56 -4.842 -4.629 -0.399 1.00 73.21 O ATOM 842 OE2 GLU A 56 -3.485 -5.541 1.049 1.00 42.31 O ATOM 0 H GLU A 56 -8.854 -4.068 3.068 1.00 21.12 H new ATOM 0 HA GLU A 56 -8.681 -6.305 1.149 1.00 3.02 H new ATOM 0 HB2 GLU A 56 -7.105 -4.373 0.984 1.00 34.50 H new ATOM 0 HB3 GLU A 56 -6.582 -4.641 2.635 1.00 34.50 H new ATOM 0 HG2 GLU A 56 -5.469 -6.697 2.065 1.00 35.22 H new ATOM 0 HG3 GLU A 56 -6.256 -6.783 0.502 1.00 35.22 H new ATOM 849 N ILE A 57 -8.398 -6.643 4.384 1.00 21.52 N ATOM 850 CA ILE A 57 -8.226 -7.571 5.529 1.00 50.42 C ATOM 851 C ILE A 57 -9.597 -8.174 5.947 1.00 62.53 C ATOM 852 O ILE A 57 -10.560 -7.436 6.164 1.00 65.30 O ATOM 853 CB ILE A 57 -7.580 -6.810 6.752 1.00 53.11 C ATOM 854 CG1 ILE A 57 -6.171 -6.233 6.367 1.00 41.34 C ATOM 855 CG2 ILE A 57 -7.487 -7.721 8.004 1.00 13.11 C ATOM 856 CD1 ILE A 57 -5.514 -5.364 7.432 1.00 54.11 C ATOM 0 H ILE A 57 -8.753 -5.726 4.657 1.00 21.52 H new ATOM 0 HA ILE A 57 -7.564 -8.381 5.223 1.00 50.42 H new ATOM 0 HB ILE A 57 -8.232 -5.974 7.005 1.00 53.11 H new ATOM 0 HG12 ILE A 57 -5.505 -7.065 6.138 1.00 41.34 H new ATOM 0 HG13 ILE A 57 -6.273 -5.646 5.454 1.00 41.34 H new ATOM 0 HG21 ILE A 57 -7.038 -7.164 8.826 1.00 13.11 H new ATOM 0 HG22 ILE A 57 -8.486 -8.048 8.291 1.00 13.11 H new ATOM 0 HG23 ILE A 57 -6.872 -8.591 7.776 1.00 13.11 H new ATOM 0 HD11 ILE A 57 -4.547 -5.015 7.071 1.00 54.11 H new ATOM 0 HD12 ILE A 57 -6.152 -4.507 7.647 1.00 54.11 H new ATOM 0 HD13 ILE A 57 -5.372 -5.948 8.341 1.00 54.11 H new ATOM 868 N LYS A 58 -9.664 -9.516 6.072 1.00 63.34 N ATOM 869 CA LYS A 58 -10.898 -10.241 6.475 1.00 62.01 C ATOM 870 C LYS A 58 -11.219 -10.028 7.973 1.00 64.14 C ATOM 871 O LYS A 58 -12.299 -9.548 8.343 1.00 63.20 O ATOM 872 CB LYS A 58 -10.723 -11.755 6.192 1.00 60.34 C ATOM 873 CG LYS A 58 -11.921 -12.647 6.601 1.00 0.31 C ATOM 874 CD LYS A 58 -11.678 -14.146 6.299 1.00 2.01 C ATOM 875 CE LYS A 58 -10.432 -14.707 7.016 1.00 3.45 C ATOM 876 NZ LYS A 58 -10.236 -16.150 6.746 1.00 34.41 N ATOM 0 H LYS A 58 -8.869 -10.131 5.898 1.00 63.34 H new ATOM 0 HA LYS A 58 -11.729 -9.844 5.893 1.00 62.01 H new ATOM 0 HB2 LYS A 58 -10.538 -11.890 5.126 1.00 60.34 H new ATOM 0 HB3 LYS A 58 -9.834 -12.106 6.717 1.00 60.34 H new ATOM 0 HG2 LYS A 58 -12.115 -12.522 7.666 1.00 0.31 H new ATOM 0 HG3 LYS A 58 -12.814 -12.314 6.073 1.00 0.31 H new ATOM 0 HD2 LYS A 58 -12.554 -14.719 6.601 1.00 2.01 H new ATOM 0 HD3 LYS A 58 -11.564 -14.281 5.223 1.00 2.01 H new ATOM 0 HE2 LYS A 58 -9.549 -14.155 6.693 1.00 3.45 H new ATOM 0 HE3 LYS A 58 -10.531 -14.550 8.090 1.00 3.45 H new ATOM 0 HZ1 LYS A 58 -9.388 -16.485 7.247 1.00 34.41 H new ATOM 0 HZ2 LYS A 58 -11.066 -16.681 7.077 1.00 34.41 H new ATOM 0 HZ3 LYS A 58 -10.115 -16.299 5.724 1.00 34.41 H new ATOM 890 N ASP A 59 -10.240 -10.389 8.818 1.00 70.41 N ATOM 891 CA ASP A 59 -10.346 -10.354 10.297 1.00 41.11 C ATOM 892 C ASP A 59 -10.461 -8.922 10.888 1.00 74.04 C ATOM 893 O ASP A 59 -10.554 -8.772 12.115 1.00 52.32 O ATOM 894 CB ASP A 59 -9.141 -11.111 10.904 1.00 61.24 C ATOM 895 CG ASP A 59 -9.088 -12.573 10.445 1.00 3.51 C ATOM 896 OD1 ASP A 59 -8.603 -12.834 9.327 1.00 53.21 O ATOM 897 OD2 ASP A 59 -9.565 -13.459 11.185 1.00 4.43 O ATOM 0 H ASP A 59 -9.332 -10.721 8.492 1.00 70.41 H new ATOM 0 HA ASP A 59 -11.280 -10.846 10.567 1.00 41.11 H new ATOM 0 HB2 ASP A 59 -8.217 -10.608 10.619 1.00 61.24 H new ATOM 0 HB3 ASP A 59 -9.201 -11.075 11.992 1.00 61.24 H new ATOM 902 N ALA A 60 -10.389 -7.892 10.014 1.00 45.20 N ATOM 903 CA ALA A 60 -10.648 -6.468 10.348 1.00 62.33 C ATOM 904 C ALA A 60 -11.835 -6.250 11.324 1.00 12.42 C ATOM 905 O ALA A 60 -11.661 -5.652 12.383 1.00 71.55 O ATOM 906 CB ALA A 60 -10.877 -5.688 9.040 1.00 45.41 C ATOM 0 H ALA A 60 -10.144 -8.029 9.033 1.00 45.20 H new ATOM 0 HA ALA A 60 -9.770 -6.098 10.877 1.00 62.33 H new ATOM 0 HB1 ALA A 60 -11.069 -4.640 9.270 1.00 45.41 H new ATOM 0 HB2 ALA A 60 -9.991 -5.765 8.410 1.00 45.41 H new ATOM 0 HB3 ALA A 60 -11.734 -6.106 8.512 1.00 45.41 H new ATOM 912 N GLY A 61 -13.037 -6.715 10.940 1.00 64.52 N ATOM 913 CA GLY A 61 -14.221 -6.670 11.824 1.00 43.25 C ATOM 914 C GLY A 61 -14.737 -5.260 12.135 1.00 35.42 C ATOM 915 O GLY A 61 -15.308 -5.038 13.207 1.00 72.04 O ATOM 0 H GLY A 61 -13.217 -7.127 10.024 1.00 64.52 H new ATOM 0 HA2 GLY A 61 -15.025 -7.242 11.361 1.00 43.25 H new ATOM 0 HA3 GLY A 61 -13.976 -7.167 12.762 1.00 43.25 H new ATOM 919 N ASP A 62 -14.495 -4.311 11.201 1.00 24.03 N ATOM 920 CA ASP A 62 -14.907 -2.883 11.316 1.00 1.35 C ATOM 921 C ASP A 62 -14.231 -2.131 12.511 1.00 34.14 C ATOM 922 O ASP A 62 -14.677 -1.043 12.898 1.00 1.15 O ATOM 923 CB ASP A 62 -16.459 -2.758 11.384 1.00 63.14 C ATOM 924 CG ASP A 62 -17.164 -3.319 10.134 1.00 54.42 C ATOM 925 OD1 ASP A 62 -17.244 -2.594 9.117 1.00 20.31 O ATOM 926 OD2 ASP A 62 -17.631 -4.483 10.158 1.00 11.11 O ATOM 0 H ASP A 62 -14.001 -4.514 10.332 1.00 24.03 H new ATOM 0 HA ASP A 62 -14.551 -2.390 10.411 1.00 1.35 H new ATOM 0 HB2 ASP A 62 -16.822 -3.285 12.266 1.00 63.14 H new ATOM 0 HB3 ASP A 62 -16.728 -1.709 11.506 1.00 63.14 H new ATOM 931 N LYS A 63 -13.140 -2.697 13.072 1.00 45.01 N ATOM 932 CA LYS A 63 -12.418 -2.092 14.229 1.00 61.42 C ATOM 933 C LYS A 63 -11.078 -1.456 13.782 1.00 22.20 C ATOM 934 O LYS A 63 -10.616 -1.678 12.652 1.00 32.40 O ATOM 935 CB LYS A 63 -12.159 -3.167 15.334 1.00 63.25 C ATOM 936 CG LYS A 63 -10.961 -4.114 15.063 1.00 22.43 C ATOM 937 CD LYS A 63 -10.852 -5.283 16.071 1.00 74.21 C ATOM 938 CE LYS A 63 -11.984 -6.315 15.922 1.00 54.15 C ATOM 939 NZ LYS A 63 -11.865 -7.416 16.915 1.00 13.44 N ATOM 0 H LYS A 63 -12.734 -3.574 12.746 1.00 45.01 H new ATOM 0 HA LYS A 63 -13.049 -1.304 14.641 1.00 61.42 H new ATOM 0 HB2 LYS A 63 -11.992 -2.657 16.283 1.00 63.25 H new ATOM 0 HB3 LYS A 63 -13.060 -3.770 15.451 1.00 63.25 H new ATOM 0 HG2 LYS A 63 -11.052 -4.521 14.056 1.00 22.43 H new ATOM 0 HG3 LYS A 63 -10.038 -3.535 15.090 1.00 22.43 H new ATOM 0 HD2 LYS A 63 -9.893 -5.783 15.937 1.00 74.21 H new ATOM 0 HD3 LYS A 63 -10.864 -4.883 17.085 1.00 74.21 H new ATOM 0 HE2 LYS A 63 -12.947 -5.818 16.044 1.00 54.15 H new ATOM 0 HE3 LYS A 63 -11.966 -6.731 14.915 1.00 54.15 H new ATOM 0 HZ1 LYS A 63 -12.646 -8.090 16.781 1.00 13.44 H new ATOM 0 HZ2 LYS A 63 -10.958 -7.907 16.782 1.00 13.44 H new ATOM 0 HZ3 LYS A 63 -11.908 -7.022 17.877 1.00 13.44 H new ATOM 953 N THR A 64 -10.456 -0.664 14.678 1.00 45.33 N ATOM 954 CA THR A 64 -9.075 -0.187 14.474 1.00 1.43 C ATOM 955 C THR A 64 -8.095 -1.291 14.934 1.00 60.35 C ATOM 956 O THR A 64 -7.968 -1.557 16.134 1.00 41.14 O ATOM 957 CB THR A 64 -8.772 1.145 15.252 1.00 21.31 C ATOM 958 OG1 THR A 64 -9.716 2.165 14.880 1.00 73.22 O ATOM 959 CG2 THR A 64 -7.344 1.665 14.973 1.00 31.21 C ATOM 0 H THR A 64 -10.886 -0.343 15.545 1.00 45.33 H new ATOM 0 HA THR A 64 -8.950 0.030 13.413 1.00 1.43 H new ATOM 0 HB THR A 64 -8.858 0.919 16.315 1.00 21.31 H new ATOM 0 HG1 THR A 64 -9.518 2.989 15.372 1.00 73.22 H new ATOM 0 HG21 THR A 64 -7.177 2.587 15.530 1.00 31.21 H new ATOM 0 HG22 THR A 64 -6.616 0.916 15.285 1.00 31.21 H new ATOM 0 HG23 THR A 64 -7.230 1.860 13.907 1.00 31.21 H new ATOM 967 N LEU A 65 -7.418 -1.930 13.979 1.00 70.11 N ATOM 968 CA LEU A 65 -6.460 -3.017 14.263 1.00 13.51 C ATOM 969 C LEU A 65 -5.148 -2.416 14.815 1.00 13.15 C ATOM 970 O LEU A 65 -4.684 -1.393 14.327 1.00 23.24 O ATOM 971 CB LEU A 65 -6.207 -3.844 12.982 1.00 23.12 C ATOM 972 CG LEU A 65 -7.431 -4.638 12.419 1.00 22.01 C ATOM 973 CD1 LEU A 65 -7.124 -5.212 11.019 1.00 24.44 C ATOM 974 CD2 LEU A 65 -7.872 -5.760 13.396 1.00 35.03 C ATOM 0 H LEU A 65 -7.513 -1.715 12.987 1.00 70.11 H new ATOM 0 HA LEU A 65 -6.873 -3.687 15.017 1.00 13.51 H new ATOM 0 HB2 LEU A 65 -5.849 -3.170 12.204 1.00 23.12 H new ATOM 0 HB3 LEU A 65 -5.403 -4.552 13.185 1.00 23.12 H new ATOM 0 HG LEU A 65 -8.261 -3.939 12.320 1.00 22.01 H new ATOM 0 HD11 LEU A 65 -7.992 -5.759 10.652 1.00 24.44 H new ATOM 0 HD12 LEU A 65 -6.893 -4.396 10.334 1.00 24.44 H new ATOM 0 HD13 LEU A 65 -6.270 -5.886 11.082 1.00 24.44 H new ATOM 0 HD21 LEU A 65 -8.725 -6.294 12.976 1.00 35.03 H new ATOM 0 HD22 LEU A 65 -7.047 -6.456 13.547 1.00 35.03 H new ATOM 0 HD23 LEU A 65 -8.155 -5.320 14.352 1.00 35.03 H new ATOM 986 N GLN A 66 -4.572 -3.052 15.834 1.00 31.04 N ATOM 987 CA GLN A 66 -3.441 -2.494 16.622 1.00 4.40 C ATOM 988 C GLN A 66 -2.177 -3.386 16.502 1.00 51.24 C ATOM 989 O GLN A 66 -2.292 -4.534 16.076 1.00 21.31 O ATOM 990 CB GLN A 66 -3.893 -2.349 18.107 1.00 21.32 C ATOM 991 CG GLN A 66 -4.998 -1.295 18.339 1.00 63.44 C ATOM 992 CD GLN A 66 -4.539 0.132 18.022 1.00 32.33 C ATOM 993 OE1 GLN A 66 -4.705 0.568 16.786 1.00 40.10 O flip ATOM 994 NE2 GLN A 66 -4.016 0.833 18.880 1.00 73.33 N flip ATOM 0 H GLN A 66 -4.869 -3.976 16.149 1.00 31.04 H new ATOM 0 HA GLN A 66 -3.171 -1.514 16.227 1.00 4.40 H new ATOM 0 HB2 GLN A 66 -4.250 -3.316 18.461 1.00 21.32 H new ATOM 0 HB3 GLN A 66 -3.026 -2.088 18.714 1.00 21.32 H new ATOM 0 HG2 GLN A 66 -5.861 -1.539 17.720 1.00 63.44 H new ATOM 0 HG3 GLN A 66 -5.326 -1.343 19.377 1.00 63.44 H new ATOM 0 HE21 GLN A 66 -3.898 0.476 19.828 1.00 73.33 H new ATOM 0 HE22 GLN A 66 -3.699 1.774 18.646 1.00 73.33 H new ATOM 1003 N PRO A 67 -0.942 -2.854 16.828 1.00 34.13 N ATOM 1004 CA PRO A 67 0.298 -3.676 16.926 1.00 51.02 C ATOM 1005 C PRO A 67 0.108 -5.020 17.699 1.00 23.41 C ATOM 1006 O PRO A 67 -0.059 -5.031 18.923 1.00 41.25 O ATOM 1007 CB PRO A 67 1.283 -2.724 17.646 1.00 61.01 C ATOM 1008 CG PRO A 67 0.874 -1.359 17.177 1.00 13.43 C ATOM 1009 CD PRO A 67 -0.640 -1.408 17.050 1.00 73.04 C ATOM 0 HA PRO A 67 0.644 -4.011 15.948 1.00 51.02 H new ATOM 0 HB2 PRO A 67 1.205 -2.814 18.730 1.00 61.01 H new ATOM 0 HB3 PRO A 67 2.317 -2.944 17.381 1.00 61.01 H new ATOM 0 HG2 PRO A 67 1.183 -0.592 17.887 1.00 13.43 H new ATOM 0 HG3 PRO A 67 1.340 -1.117 16.222 1.00 13.43 H new ATOM 0 HD2 PRO A 67 -1.128 -1.033 17.950 1.00 73.04 H new ATOM 0 HD3 PRO A 67 -0.990 -0.796 16.219 1.00 73.04 H new ATOM 1017 N GLY A 68 0.099 -6.137 16.945 1.00 55.12 N ATOM 1018 CA GLY A 68 -0.087 -7.494 17.501 1.00 31.43 C ATOM 1019 C GLY A 68 -1.357 -8.220 17.026 1.00 12.32 C ATOM 1020 O GLY A 68 -1.489 -9.425 17.260 1.00 60.21 O ATOM 0 H GLY A 68 0.221 -6.125 15.932 1.00 55.12 H new ATOM 0 HA2 GLY A 68 0.780 -8.100 17.239 1.00 31.43 H new ATOM 0 HA3 GLY A 68 -0.111 -7.425 18.589 1.00 31.43 H new ATOM 1024 N ASP A 69 -2.303 -7.500 16.384 1.00 64.21 N ATOM 1025 CA ASP A 69 -3.530 -8.115 15.803 1.00 13.15 C ATOM 1026 C ASP A 69 -3.190 -9.002 14.582 1.00 30.23 C ATOM 1027 O ASP A 69 -2.955 -8.501 13.477 1.00 71.14 O ATOM 1028 CB ASP A 69 -4.576 -7.026 15.414 1.00 31.21 C ATOM 1029 CG ASP A 69 -5.351 -6.485 16.627 1.00 4.42 C ATOM 1030 OD1 ASP A 69 -4.809 -5.648 17.371 1.00 62.53 O ATOM 1031 OD2 ASP A 69 -6.502 -6.915 16.850 1.00 10.24 O ATOM 0 H ASP A 69 -2.246 -6.490 16.252 1.00 64.21 H new ATOM 0 HA ASP A 69 -3.970 -8.751 16.571 1.00 13.15 H new ATOM 0 HB2 ASP A 69 -4.067 -6.201 14.916 1.00 31.21 H new ATOM 0 HB3 ASP A 69 -5.281 -7.445 14.696 1.00 31.21 H new ATOM 1036 N GLN A 70 -3.143 -10.324 14.810 1.00 25.20 N ATOM 1037 CA GLN A 70 -2.845 -11.307 13.755 1.00 23.12 C ATOM 1038 C GLN A 70 -4.111 -11.588 12.889 1.00 70.30 C ATOM 1039 O GLN A 70 -5.152 -12.004 13.403 1.00 43.42 O ATOM 1040 CB GLN A 70 -2.272 -12.600 14.393 1.00 31.04 C ATOM 1041 CG GLN A 70 -1.574 -13.535 13.395 1.00 42.42 C ATOM 1042 CD GLN A 70 -0.809 -14.675 14.066 1.00 34.34 C ATOM 1043 OE1 GLN A 70 -1.333 -15.766 14.276 1.00 14.54 O ATOM 1044 NE2 GLN A 70 0.431 -14.420 14.442 1.00 45.31 N ATOM 0 H GLN A 70 -3.310 -10.741 15.726 1.00 25.20 H new ATOM 0 HA GLN A 70 -2.088 -10.901 13.084 1.00 23.12 H new ATOM 0 HB2 GLN A 70 -1.563 -12.324 15.173 1.00 31.04 H new ATOM 0 HB3 GLN A 70 -3.083 -13.144 14.878 1.00 31.04 H new ATOM 0 HG2 GLN A 70 -2.319 -13.955 12.720 1.00 42.42 H new ATOM 0 HG3 GLN A 70 -0.883 -12.953 12.785 1.00 42.42 H new ATOM 0 HE21 GLN A 70 0.843 -13.506 14.255 1.00 45.31 H new ATOM 0 HE22 GLN A 70 0.977 -15.137 14.919 1.00 45.31 H new ATOM 1053 N VAL A 71 -3.984 -11.358 11.569 1.00 63.45 N ATOM 1054 CA VAL A 71 -5.105 -11.355 10.588 1.00 52.25 C ATOM 1055 C VAL A 71 -4.768 -12.207 9.325 1.00 1.13 C ATOM 1056 O VAL A 71 -3.648 -12.694 9.176 1.00 41.52 O ATOM 1057 CB VAL A 71 -5.441 -9.872 10.147 1.00 73.24 C ATOM 1058 CG1 VAL A 71 -5.958 -9.022 11.340 1.00 52.14 C ATOM 1059 CG2 VAL A 71 -4.213 -9.187 9.475 1.00 70.03 C ATOM 0 H VAL A 71 -3.081 -11.164 11.136 1.00 63.45 H new ATOM 0 HA VAL A 71 -5.970 -11.800 11.079 1.00 52.25 H new ATOM 0 HB VAL A 71 -6.241 -9.932 9.409 1.00 73.24 H new ATOM 0 HG11 VAL A 71 -6.178 -8.011 10.998 1.00 52.14 H new ATOM 0 HG12 VAL A 71 -6.864 -9.474 11.743 1.00 52.14 H new ATOM 0 HG13 VAL A 71 -5.195 -8.984 12.117 1.00 52.14 H new ATOM 0 HG21 VAL A 71 -4.477 -8.170 9.184 1.00 70.03 H new ATOM 0 HG22 VAL A 71 -3.382 -9.158 10.179 1.00 70.03 H new ATOM 0 HG23 VAL A 71 -3.920 -9.753 8.591 1.00 70.03 H new ATOM 1069 N ILE A 72 -5.765 -12.395 8.430 1.00 14.53 N ATOM 1070 CA ILE A 72 -5.575 -13.044 7.094 1.00 54.21 C ATOM 1071 C ILE A 72 -5.850 -12.023 5.950 1.00 41.24 C ATOM 1072 O ILE A 72 -6.792 -11.214 6.037 1.00 24.13 O ATOM 1073 CB ILE A 72 -6.520 -14.303 6.915 1.00 54.04 C ATOM 1074 CG1 ILE A 72 -6.329 -15.333 8.081 1.00 74.34 C ATOM 1075 CG2 ILE A 72 -6.318 -14.993 5.535 1.00 44.10 C ATOM 1076 CD1 ILE A 72 -4.949 -15.976 8.163 1.00 45.12 C ATOM 0 H ILE A 72 -6.727 -12.104 8.605 1.00 14.53 H new ATOM 0 HA ILE A 72 -4.540 -13.382 7.042 1.00 54.21 H new ATOM 0 HB ILE A 72 -7.545 -13.933 6.951 1.00 54.04 H new ATOM 0 HG12 ILE A 72 -6.534 -14.829 9.026 1.00 74.34 H new ATOM 0 HG13 ILE A 72 -7.073 -16.122 7.972 1.00 74.34 H new ATOM 0 HG21 ILE A 72 -6.986 -15.851 5.456 1.00 44.10 H new ATOM 0 HG22 ILE A 72 -6.542 -14.284 4.738 1.00 44.10 H new ATOM 0 HG23 ILE A 72 -5.285 -15.328 5.443 1.00 44.10 H new ATOM 0 HD11 ILE A 72 -4.921 -16.671 9.002 1.00 45.12 H new ATOM 0 HD12 ILE A 72 -4.743 -16.515 7.238 1.00 45.12 H new ATOM 0 HD13 ILE A 72 -4.195 -15.202 8.308 1.00 45.12 H new ATOM 1088 N LEU A 73 -5.018 -12.071 4.885 1.00 52.22 N ATOM 1089 CA LEU A 73 -5.135 -11.176 3.705 1.00 45.43 C ATOM 1090 C LEU A 73 -6.007 -11.810 2.585 1.00 63.45 C ATOM 1091 O LEU A 73 -5.720 -12.917 2.110 1.00 54.41 O ATOM 1092 CB LEU A 73 -3.723 -10.845 3.154 1.00 25.35 C ATOM 1093 CG LEU A 73 -2.749 -10.145 4.155 1.00 22.41 C ATOM 1094 CD1 LEU A 73 -1.358 -9.938 3.516 1.00 32.33 C ATOM 1095 CD2 LEU A 73 -3.336 -8.803 4.669 1.00 24.34 C ATOM 0 H LEU A 73 -4.244 -12.732 4.817 1.00 52.22 H new ATOM 0 HA LEU A 73 -5.627 -10.259 4.029 1.00 45.43 H new ATOM 0 HB2 LEU A 73 -3.260 -11.771 2.814 1.00 25.35 H new ATOM 0 HB3 LEU A 73 -3.836 -10.205 2.279 1.00 25.35 H new ATOM 0 HG LEU A 73 -2.629 -10.801 5.017 1.00 22.41 H new ATOM 0 HD11 LEU A 73 -0.698 -9.449 4.232 1.00 32.33 H new ATOM 0 HD12 LEU A 73 -0.938 -10.904 3.237 1.00 32.33 H new ATOM 0 HD13 LEU A 73 -1.455 -9.314 2.627 1.00 32.33 H new ATOM 0 HD21 LEU A 73 -2.634 -8.341 5.363 1.00 24.34 H new ATOM 0 HD22 LEU A 73 -3.506 -8.133 3.826 1.00 24.34 H new ATOM 0 HD23 LEU A 73 -4.281 -8.991 5.179 1.00 24.34 H new ATOM 1107 N GLU A 74 -7.070 -11.090 2.185 1.00 54.24 N ATOM 1108 CA GLU A 74 -7.983 -11.503 1.090 1.00 20.34 C ATOM 1109 C GLU A 74 -7.403 -11.196 -0.310 1.00 32.32 C ATOM 1110 O GLU A 74 -7.476 -12.030 -1.222 1.00 32.41 O ATOM 1111 CB GLU A 74 -9.360 -10.806 1.264 1.00 25.32 C ATOM 1112 CG GLU A 74 -10.117 -11.205 2.546 1.00 60.11 C ATOM 1113 CD GLU A 74 -10.464 -12.708 2.600 1.00 51.14 C ATOM 1114 OE1 GLU A 74 -11.429 -13.122 1.924 1.00 34.41 O ATOM 1115 OE2 GLU A 74 -9.762 -13.486 3.289 1.00 2.24 O ATOM 0 H GLU A 74 -7.326 -10.199 2.611 1.00 54.24 H new ATOM 0 HA GLU A 74 -8.104 -12.584 1.155 1.00 20.34 H new ATOM 0 HB2 GLU A 74 -9.210 -9.726 1.266 1.00 25.32 H new ATOM 0 HB3 GLU A 74 -9.983 -11.039 0.401 1.00 25.32 H new ATOM 0 HG2 GLU A 74 -9.511 -10.947 3.414 1.00 60.11 H new ATOM 0 HG3 GLU A 74 -11.036 -10.623 2.614 1.00 60.11 H new ATOM 1122 N ALA A 75 -6.845 -9.986 -0.475 1.00 53.40 N ATOM 1123 CA ALA A 75 -6.257 -9.539 -1.759 1.00 24.22 C ATOM 1124 C ALA A 75 -4.808 -10.038 -1.922 1.00 74.01 C ATOM 1125 O ALA A 75 -4.220 -10.623 -0.998 1.00 14.11 O ATOM 1126 CB ALA A 75 -6.306 -8.003 -1.852 1.00 14.43 C ATOM 0 H ALA A 75 -6.786 -9.291 0.269 1.00 53.40 H new ATOM 0 HA ALA A 75 -6.848 -9.969 -2.568 1.00 24.22 H new ATOM 0 HB1 ALA A 75 -5.872 -7.682 -2.799 1.00 14.43 H new ATOM 0 HB2 ALA A 75 -7.342 -7.668 -1.795 1.00 14.43 H new ATOM 0 HB3 ALA A 75 -5.739 -7.570 -1.028 1.00 14.43 H new ATOM 1132 N SER A 76 -4.228 -9.788 -3.107 1.00 31.22 N ATOM 1133 CA SER A 76 -2.823 -10.122 -3.386 1.00 71.35 C ATOM 1134 C SER A 76 -2.170 -9.058 -4.284 1.00 53.15 C ATOM 1135 O SER A 76 -2.686 -8.731 -5.360 1.00 4.42 O ATOM 1136 CB SER A 76 -2.711 -11.516 -4.048 1.00 20.04 C ATOM 1137 OG SER A 76 -3.417 -11.581 -5.279 1.00 60.45 O ATOM 0 H SER A 76 -4.714 -9.353 -3.891 1.00 31.22 H new ATOM 0 HA SER A 76 -2.292 -10.143 -2.434 1.00 71.35 H new ATOM 0 HB2 SER A 76 -1.661 -11.752 -4.220 1.00 20.04 H new ATOM 0 HB3 SER A 76 -3.100 -12.273 -3.367 1.00 20.04 H new ATOM 0 HG SER A 76 -3.527 -10.677 -5.641 1.00 60.45 H new ATOM 1143 N HIS A 77 -1.031 -8.516 -3.825 1.00 24.10 N ATOM 1144 CA HIS A 77 -0.168 -7.611 -4.616 1.00 23.13 C ATOM 1145 C HIS A 77 0.919 -8.410 -5.376 1.00 35.11 C ATOM 1146 O HIS A 77 1.451 -7.946 -6.388 1.00 54.44 O ATOM 1147 CB HIS A 77 0.497 -6.573 -3.666 1.00 13.45 C ATOM 1148 CG HIS A 77 -0.481 -5.686 -2.913 1.00 44.32 C ATOM 1149 ND1 HIS A 77 -0.482 -4.322 -3.075 1.00 54.00 N ATOM 1150 CD2 HIS A 77 -1.442 -6.012 -2.001 1.00 5.14 C ATOM 1151 CE1 HIS A 77 -1.424 -3.856 -2.272 1.00 65.34 C ATOM 1152 NE2 HIS A 77 -2.026 -4.842 -1.606 1.00 51.12 N ATOM 0 H HIS A 77 -0.676 -8.693 -2.885 1.00 24.10 H new ATOM 0 HA HIS A 77 -0.782 -7.093 -5.352 1.00 23.13 H new ATOM 0 HB2 HIS A 77 1.115 -7.106 -2.943 1.00 13.45 H new ATOM 0 HB3 HIS A 77 1.165 -5.940 -4.251 1.00 13.45 H new ATOM 0 HD1 HIS A 77 0.122 -3.778 -3.691 1.00 54.00 H new ATOM 0 HD2 HIS A 77 -1.693 -7.005 -1.657 1.00 5.14 H new ATOM 0 HE1 HIS A 77 -1.674 -2.810 -2.169 1.00 65.34 H new ATOM 1160 N MET A 78 1.236 -9.616 -4.861 1.00 41.40 N ATOM 1161 CA MET A 78 2.294 -10.498 -5.413 1.00 33.04 C ATOM 1162 C MET A 78 2.031 -11.981 -5.033 1.00 40.42 C ATOM 1163 O MET A 78 1.002 -12.299 -4.420 1.00 44.21 O ATOM 1164 CB MET A 78 3.691 -10.030 -4.905 1.00 2.05 C ATOM 1165 CG MET A 78 3.844 -10.002 -3.376 1.00 74.53 C ATOM 1166 SD MET A 78 5.468 -9.405 -2.861 1.00 74.13 S ATOM 1167 CE MET A 78 5.321 -9.449 -1.074 1.00 42.10 C ATOM 0 H MET A 78 0.765 -10.010 -4.047 1.00 41.40 H new ATOM 0 HA MET A 78 2.278 -10.429 -6.501 1.00 33.04 H new ATOM 0 HB2 MET A 78 4.453 -10.690 -5.320 1.00 2.05 H new ATOM 0 HB3 MET A 78 3.888 -9.031 -5.294 1.00 2.05 H new ATOM 0 HG2 MET A 78 3.072 -9.363 -2.947 1.00 74.53 H new ATOM 0 HG3 MET A 78 3.685 -11.004 -2.979 1.00 74.53 H new ATOM 0 HE1 MET A 78 5.672 -8.505 -0.657 1.00 42.10 H new ATOM 0 HE2 MET A 78 4.278 -9.602 -0.798 1.00 42.10 H new ATOM 0 HE3 MET A 78 5.924 -10.267 -0.679 1.00 42.10 H new ATOM 1177 N LYS A 79 2.963 -12.877 -5.424 1.00 71.42 N ATOM 1178 CA LYS A 79 2.879 -14.330 -5.122 1.00 22.50 C ATOM 1179 C LYS A 79 2.992 -14.622 -3.595 1.00 42.42 C ATOM 1180 O LYS A 79 3.879 -14.095 -2.907 1.00 12.25 O ATOM 1181 CB LYS A 79 3.972 -15.112 -5.914 1.00 5.44 C ATOM 1182 CG LYS A 79 5.422 -14.591 -5.719 1.00 13.23 C ATOM 1183 CD LYS A 79 6.487 -15.466 -6.425 1.00 12.25 C ATOM 1184 CE LYS A 79 6.287 -15.574 -7.949 1.00 74.13 C ATOM 1185 NZ LYS A 79 7.294 -16.467 -8.581 1.00 31.30 N ATOM 0 H LYS A 79 3.794 -12.619 -5.956 1.00 71.42 H new ATOM 0 HA LYS A 79 1.895 -14.673 -5.441 1.00 22.50 H new ATOM 0 HB2 LYS A 79 3.935 -16.160 -5.616 1.00 5.44 H new ATOM 0 HB3 LYS A 79 3.728 -15.073 -6.976 1.00 5.44 H new ATOM 0 HG2 LYS A 79 5.489 -13.572 -6.100 1.00 13.23 H new ATOM 0 HG3 LYS A 79 5.645 -14.549 -4.653 1.00 13.23 H new ATOM 0 HD2 LYS A 79 7.475 -15.052 -6.225 1.00 12.25 H new ATOM 0 HD3 LYS A 79 6.467 -16.466 -5.993 1.00 12.25 H new ATOM 0 HE2 LYS A 79 5.286 -15.952 -8.157 1.00 74.13 H new ATOM 0 HE3 LYS A 79 6.352 -14.581 -8.394 1.00 74.13 H new ATOM 0 HZ1 LYS A 79 7.124 -16.512 -9.606 1.00 31.30 H new ATOM 0 HZ2 LYS A 79 8.248 -16.094 -8.405 1.00 31.30 H new ATOM 0 HZ3 LYS A 79 7.215 -17.421 -8.175 1.00 31.30 H new ATOM 1199 N GLY A 80 2.062 -15.452 -3.085 1.00 60.23 N ATOM 1200 CA GLY A 80 2.039 -15.856 -1.668 1.00 53.44 C ATOM 1201 C GLY A 80 1.411 -14.824 -0.720 1.00 65.25 C ATOM 1202 O GLY A 80 1.516 -14.972 0.497 1.00 3.14 O ATOM 0 H GLY A 80 1.310 -15.859 -3.641 1.00 60.23 H new ATOM 0 HA2 GLY A 80 1.489 -16.793 -1.580 1.00 53.44 H new ATOM 0 HA3 GLY A 80 3.061 -16.054 -1.343 1.00 53.44 H new ATOM 1206 N MET A 81 0.754 -13.787 -1.277 1.00 41.20 N ATOM 1207 CA MET A 81 0.125 -12.694 -0.490 1.00 61.43 C ATOM 1208 C MET A 81 -1.307 -13.100 -0.034 1.00 32.55 C ATOM 1209 O MET A 81 -1.648 -13.005 1.152 1.00 13.22 O ATOM 1210 CB MET A 81 0.086 -11.404 -1.354 1.00 64.41 C ATOM 1211 CG MET A 81 -0.384 -10.126 -0.635 1.00 32.52 C ATOM 1212 SD MET A 81 0.856 -9.450 0.485 1.00 75.43 S ATOM 1213 CE MET A 81 0.138 -7.852 0.901 1.00 34.02 C ATOM 0 H MET A 81 0.641 -13.679 -2.285 1.00 41.20 H new ATOM 0 HA MET A 81 0.715 -12.507 0.407 1.00 61.43 H new ATOM 0 HB2 MET A 81 1.085 -11.227 -1.753 1.00 64.41 H new ATOM 0 HB3 MET A 81 -0.571 -11.580 -2.206 1.00 64.41 H new ATOM 0 HG2 MET A 81 -0.643 -9.372 -1.378 1.00 32.52 H new ATOM 0 HG3 MET A 81 -1.292 -10.345 -0.073 1.00 32.52 H new ATOM 0 HE1 MET A 81 0.418 -7.581 1.919 1.00 34.02 H new ATOM 0 HE2 MET A 81 0.508 -7.096 0.209 1.00 34.02 H new ATOM 0 HE3 MET A 81 -0.948 -7.911 0.827 1.00 34.02 H new ATOM 1223 N LYS A 82 -2.139 -13.536 -1.006 1.00 55.43 N ATOM 1224 CA LYS A 82 -3.511 -14.047 -0.741 1.00 65.13 C ATOM 1225 C LYS A 82 -3.475 -15.372 0.057 1.00 53.23 C ATOM 1226 O LYS A 82 -2.754 -16.302 -0.316 1.00 24.10 O ATOM 1227 CB LYS A 82 -4.279 -14.266 -2.076 1.00 45.44 C ATOM 1228 CG LYS A 82 -5.711 -14.839 -1.906 1.00 64.04 C ATOM 1229 CD LYS A 82 -6.419 -15.130 -3.250 1.00 61.24 C ATOM 1230 CE LYS A 82 -7.822 -15.745 -3.053 1.00 61.00 C ATOM 1231 NZ LYS A 82 -8.520 -15.974 -4.346 1.00 1.14 N ATOM 0 H LYS A 82 -1.884 -13.545 -1.994 1.00 55.43 H new ATOM 0 HA LYS A 82 -4.029 -13.297 -0.144 1.00 65.13 H new ATOM 0 HB2 LYS A 82 -4.342 -13.315 -2.605 1.00 45.44 H new ATOM 0 HB3 LYS A 82 -3.702 -14.943 -2.706 1.00 45.44 H new ATOM 0 HG2 LYS A 82 -5.660 -15.759 -1.324 1.00 64.04 H new ATOM 0 HG3 LYS A 82 -6.311 -14.133 -1.333 1.00 64.04 H new ATOM 0 HD2 LYS A 82 -6.507 -14.205 -3.819 1.00 61.24 H new ATOM 0 HD3 LYS A 82 -5.806 -15.811 -3.841 1.00 61.24 H new ATOM 0 HE2 LYS A 82 -7.731 -16.691 -2.519 1.00 61.00 H new ATOM 0 HE3 LYS A 82 -8.423 -15.083 -2.430 1.00 61.00 H new ATOM 0 HZ1 LYS A 82 -9.457 -16.387 -4.166 1.00 1.14 H new ATOM 0 HZ2 LYS A 82 -8.631 -15.069 -4.846 1.00 1.14 H new ATOM 0 HZ3 LYS A 82 -7.961 -16.626 -4.932 1.00 1.14 H new ATOM 1245 N GLY A 83 -4.242 -15.436 1.163 1.00 2.22 N ATOM 1246 CA GLY A 83 -4.326 -16.654 1.992 1.00 51.42 C ATOM 1247 C GLY A 83 -3.233 -16.731 3.064 1.00 54.52 C ATOM 1248 O GLY A 83 -3.280 -17.602 3.944 1.00 1.01 O ATOM 0 H GLY A 83 -4.811 -14.660 1.502 1.00 2.22 H new ATOM 0 HA2 GLY A 83 -5.303 -16.691 2.475 1.00 51.42 H new ATOM 0 HA3 GLY A 83 -4.256 -17.530 1.347 1.00 51.42 H new ATOM 1252 N ALA A 84 -2.250 -15.812 2.991 1.00 2.43 N ATOM 1253 CA ALA A 84 -1.146 -15.728 3.961 1.00 65.53 C ATOM 1254 C ALA A 84 -1.597 -15.028 5.255 1.00 20.42 C ATOM 1255 O ALA A 84 -2.515 -14.188 5.249 1.00 31.10 O ATOM 1256 CB ALA A 84 0.061 -14.997 3.350 1.00 12.12 C ATOM 0 H ALA A 84 -2.201 -15.107 2.256 1.00 2.43 H new ATOM 0 HA ALA A 84 -0.845 -16.745 4.212 1.00 65.53 H new ATOM 0 HB1 ALA A 84 0.865 -14.946 4.084 1.00 12.12 H new ATOM 0 HB2 ALA A 84 0.407 -15.539 2.470 1.00 12.12 H new ATOM 0 HB3 ALA A 84 -0.232 -13.987 3.063 1.00 12.12 H new ATOM 1262 N THR A 85 -0.927 -15.379 6.355 1.00 1.30 N ATOM 1263 CA THR A 85 -1.194 -14.805 7.677 1.00 4.35 C ATOM 1264 C THR A 85 -0.313 -13.559 7.892 1.00 24.33 C ATOM 1265 O THR A 85 0.922 -13.645 7.870 1.00 12.44 O ATOM 1266 CB THR A 85 -0.924 -15.843 8.821 1.00 43.40 C ATOM 1267 OG1 THR A 85 -1.657 -17.059 8.567 1.00 64.33 O ATOM 1268 CG2 THR A 85 -1.322 -15.294 10.207 1.00 3.54 C ATOM 0 H THR A 85 -0.180 -16.073 6.354 1.00 1.30 H new ATOM 0 HA THR A 85 -2.247 -14.526 7.714 1.00 4.35 H new ATOM 0 HB THR A 85 0.148 -16.042 8.829 1.00 43.40 H new ATOM 0 HG1 THR A 85 -1.482 -17.703 9.285 1.00 64.33 H new ATOM 0 HG21 THR A 85 -1.118 -16.046 10.969 1.00 3.54 H new ATOM 0 HG22 THR A 85 -0.745 -14.394 10.421 1.00 3.54 H new ATOM 0 HG23 THR A 85 -2.385 -15.053 10.211 1.00 3.54 H new ATOM 1276 N ALA A 86 -0.964 -12.414 8.110 1.00 22.44 N ATOM 1277 CA ALA A 86 -0.300 -11.141 8.427 1.00 12.25 C ATOM 1278 C ALA A 86 -0.458 -10.842 9.922 1.00 12.31 C ATOM 1279 O ALA A 86 -1.272 -11.462 10.603 1.00 2.22 O ATOM 1280 CB ALA A 86 -0.889 -10.000 7.576 1.00 42.44 C ATOM 0 H ALA A 86 -1.981 -12.341 8.072 1.00 22.44 H new ATOM 0 HA ALA A 86 0.761 -11.220 8.192 1.00 12.25 H new ATOM 0 HB1 ALA A 86 -0.386 -9.065 7.823 1.00 42.44 H new ATOM 0 HB2 ALA A 86 -0.743 -10.222 6.519 1.00 42.44 H new ATOM 0 HB3 ALA A 86 -1.955 -9.905 7.783 1.00 42.44 H new ATOM 1286 N GLU A 87 0.358 -9.934 10.442 1.00 64.54 N ATOM 1287 CA GLU A 87 0.166 -9.375 11.790 1.00 65.33 C ATOM 1288 C GLU A 87 0.419 -7.867 11.746 1.00 35.30 C ATOM 1289 O GLU A 87 1.467 -7.430 11.256 1.00 31.43 O ATOM 1290 CB GLU A 87 1.103 -10.071 12.811 1.00 52.42 C ATOM 1291 CG GLU A 87 0.832 -9.690 14.282 1.00 31.13 C ATOM 1292 CD GLU A 87 1.741 -10.438 15.268 1.00 5.11 C ATOM 1293 OE1 GLU A 87 1.495 -11.641 15.522 1.00 70.22 O ATOM 1294 OE2 GLU A 87 2.720 -9.840 15.768 1.00 12.42 O ATOM 0 H GLU A 87 1.170 -9.561 9.951 1.00 64.54 H new ATOM 0 HA GLU A 87 -0.859 -9.554 12.116 1.00 65.33 H new ATOM 0 HB2 GLU A 87 1.001 -11.151 12.703 1.00 52.42 H new ATOM 0 HB3 GLU A 87 2.136 -9.822 12.567 1.00 52.42 H new ATOM 0 HG2 GLU A 87 0.974 -8.617 14.407 1.00 31.13 H new ATOM 0 HG3 GLU A 87 -0.210 -9.903 14.522 1.00 31.13 H new ATOM 1301 N ILE A 88 -0.555 -7.083 12.243 1.00 54.42 N ATOM 1302 CA ILE A 88 -0.501 -5.610 12.221 1.00 45.02 C ATOM 1303 C ILE A 88 0.728 -5.104 13.016 1.00 14.44 C ATOM 1304 O ILE A 88 0.801 -5.264 14.225 1.00 52.51 O ATOM 1305 CB ILE A 88 -1.826 -4.982 12.801 1.00 13.21 C ATOM 1306 CG1 ILE A 88 -3.088 -5.534 12.058 1.00 43.13 C ATOM 1307 CG2 ILE A 88 -1.799 -3.428 12.756 1.00 23.53 C ATOM 1308 CD1 ILE A 88 -3.239 -5.098 10.607 1.00 23.33 C ATOM 0 H ILE A 88 -1.403 -7.454 12.672 1.00 54.42 H new ATOM 0 HA ILE A 88 -0.404 -5.292 11.183 1.00 45.02 H new ATOM 0 HB ILE A 88 -1.888 -5.280 13.848 1.00 13.21 H new ATOM 0 HG12 ILE A 88 -3.059 -6.623 12.090 1.00 43.13 H new ATOM 0 HG13 ILE A 88 -3.976 -5.222 12.607 1.00 43.13 H new ATOM 0 HG21 ILE A 88 -2.730 -3.036 13.165 1.00 23.53 H new ATOM 0 HG22 ILE A 88 -0.960 -3.061 13.348 1.00 23.53 H new ATOM 0 HG23 ILE A 88 -1.687 -3.096 11.724 1.00 23.53 H new ATOM 0 HD11 ILE A 88 -4.145 -5.536 10.188 1.00 23.33 H new ATOM 0 HD12 ILE A 88 -3.306 -4.011 10.559 1.00 23.33 H new ATOM 0 HD13 ILE A 88 -2.375 -5.434 10.034 1.00 23.33 H new ATOM 1320 N ASP A 89 1.703 -4.559 12.290 1.00 14.11 N ATOM 1321 CA ASP A 89 2.937 -3.986 12.858 1.00 24.41 C ATOM 1322 C ASP A 89 2.655 -2.575 13.446 1.00 23.41 C ATOM 1323 O ASP A 89 3.198 -2.198 14.491 1.00 22.11 O ATOM 1324 CB ASP A 89 4.011 -3.935 11.737 1.00 22.20 C ATOM 1325 CG ASP A 89 5.363 -3.385 12.205 1.00 45.23 C ATOM 1326 OD1 ASP A 89 6.178 -4.167 12.741 1.00 61.31 O ATOM 1327 OD2 ASP A 89 5.614 -2.170 12.051 1.00 71.40 O ATOM 0 H ASP A 89 1.663 -4.499 11.273 1.00 14.11 H new ATOM 0 HA ASP A 89 3.304 -4.606 13.676 1.00 24.41 H new ATOM 0 HB2 ASP A 89 4.155 -4.939 11.338 1.00 22.20 H new ATOM 0 HB3 ASP A 89 3.641 -3.317 10.919 1.00 22.20 H new ATOM 1332 N SER A 90 1.768 -1.833 12.761 1.00 4.32 N ATOM 1333 CA SER A 90 1.386 -0.448 13.117 1.00 41.35 C ATOM 1334 C SER A 90 0.032 -0.080 12.463 1.00 73.31 C ATOM 1335 O SER A 90 -0.415 -0.739 11.521 1.00 33.14 O ATOM 1336 CB SER A 90 2.487 0.553 12.686 1.00 33.41 C ATOM 1337 OG SER A 90 2.137 1.894 13.000 1.00 64.41 O ATOM 0 H SER A 90 1.287 -2.180 11.931 1.00 4.32 H new ATOM 0 HA SER A 90 1.278 -0.388 14.200 1.00 41.35 H new ATOM 0 HB2 SER A 90 3.424 0.297 13.181 1.00 33.41 H new ATOM 0 HB3 SER A 90 2.658 0.464 11.613 1.00 33.41 H new ATOM 0 HG SER A 90 2.856 2.495 12.715 1.00 64.41 H new ATOM 1343 N ALA A 91 -0.603 0.989 12.962 1.00 14.21 N ATOM 1344 CA ALA A 91 -1.959 1.412 12.530 1.00 52.33 C ATOM 1345 C ALA A 91 -2.019 2.923 12.260 1.00 23.44 C ATOM 1346 O ALA A 91 -1.323 3.698 12.923 1.00 4.21 O ATOM 1347 CB ALA A 91 -2.984 1.029 13.604 1.00 75.54 C ATOM 0 H ALA A 91 -0.198 1.592 13.678 1.00 14.21 H new ATOM 0 HA ALA A 91 -2.194 0.899 11.598 1.00 52.33 H new ATOM 0 HB1 ALA A 91 -3.979 1.340 13.285 1.00 75.54 H new ATOM 0 HB2 ALA A 91 -2.971 -0.051 13.750 1.00 75.54 H new ATOM 0 HB3 ALA A 91 -2.732 1.525 14.541 1.00 75.54 H new ATOM 1353 N GLU A 92 -2.869 3.336 11.298 1.00 62.42 N ATOM 1354 CA GLU A 92 -3.061 4.767 10.966 1.00 3.32 C ATOM 1355 C GLU A 92 -4.436 5.038 10.306 1.00 53.32 C ATOM 1356 O GLU A 92 -4.990 4.182 9.616 1.00 23.45 O ATOM 1357 CB GLU A 92 -1.917 5.244 10.019 1.00 55.34 C ATOM 1358 CG GLU A 92 -1.869 6.764 9.753 1.00 12.30 C ATOM 1359 CD GLU A 92 -1.748 7.614 11.033 1.00 14.22 C ATOM 1360 OE1 GLU A 92 -0.627 7.752 11.562 1.00 12.44 O ATOM 1361 OE2 GLU A 92 -2.780 8.136 11.524 1.00 35.22 O ATOM 0 H GLU A 92 -3.435 2.700 10.736 1.00 62.42 H new ATOM 0 HA GLU A 92 -3.033 5.327 11.900 1.00 3.32 H new ATOM 0 HB2 GLU A 92 -0.963 4.937 10.446 1.00 55.34 H new ATOM 0 HB3 GLU A 92 -2.020 4.728 9.064 1.00 55.34 H new ATOM 0 HG2 GLU A 92 -1.024 6.983 9.101 1.00 12.30 H new ATOM 0 HG3 GLU A 92 -2.771 7.058 9.216 1.00 12.30 H new ATOM 1368 N LYS A 93 -4.994 6.238 10.553 1.00 31.24 N ATOM 1369 CA LYS A 93 -6.099 6.793 9.743 1.00 14.30 C ATOM 1370 C LYS A 93 -5.489 7.800 8.740 1.00 62.25 C ATOM 1371 O LYS A 93 -5.237 8.961 9.081 1.00 0.24 O ATOM 1372 CB LYS A 93 -7.187 7.489 10.623 1.00 73.14 C ATOM 1373 CG LYS A 93 -8.084 6.546 11.468 1.00 4.12 C ATOM 1374 CD LYS A 93 -7.345 5.837 12.624 1.00 63.45 C ATOM 1375 CE LYS A 93 -8.294 4.991 13.488 1.00 60.43 C ATOM 1376 NZ LYS A 93 -9.386 5.811 14.084 1.00 52.04 N ATOM 0 H LYS A 93 -4.695 6.848 11.314 1.00 31.24 H new ATOM 0 HA LYS A 93 -6.602 5.979 9.221 1.00 14.30 H new ATOM 0 HB2 LYS A 93 -6.689 8.185 11.298 1.00 73.14 H new ATOM 0 HB3 LYS A 93 -7.829 8.081 9.971 1.00 73.14 H new ATOM 0 HG2 LYS A 93 -8.911 7.123 11.881 1.00 4.12 H new ATOM 0 HG3 LYS A 93 -8.518 5.791 10.812 1.00 4.12 H new ATOM 0 HD2 LYS A 93 -6.562 5.198 12.215 1.00 63.45 H new ATOM 0 HD3 LYS A 93 -6.854 6.582 13.250 1.00 63.45 H new ATOM 0 HE2 LYS A 93 -8.727 4.197 12.880 1.00 60.43 H new ATOM 0 HE3 LYS A 93 -7.727 4.509 14.284 1.00 60.43 H new ATOM 0 HZ1 LYS A 93 -9.846 5.275 14.847 1.00 52.04 H new ATOM 0 HZ2 LYS A 93 -8.988 6.691 14.470 1.00 52.04 H new ATOM 0 HZ3 LYS A 93 -10.087 6.040 13.351 1.00 52.04 H new ATOM 1390 N THR A 94 -5.215 7.329 7.513 1.00 42.10 N ATOM 1391 CA THR A 94 -4.546 8.136 6.460 1.00 40.14 C ATOM 1392 C THR A 94 -5.249 7.935 5.105 1.00 41.21 C ATOM 1393 O THR A 94 -5.887 6.899 4.873 1.00 22.21 O ATOM 1394 CB THR A 94 -3.021 7.782 6.342 1.00 53.03 C ATOM 1395 OG1 THR A 94 -2.391 8.581 5.327 1.00 4.24 O ATOM 1396 CG2 THR A 94 -2.785 6.290 6.042 1.00 73.12 C ATOM 0 H THR A 94 -5.447 6.381 7.216 1.00 42.10 H new ATOM 0 HA THR A 94 -4.621 9.185 6.747 1.00 40.14 H new ATOM 0 HB THR A 94 -2.575 8.002 7.312 1.00 53.03 H new ATOM 0 HG1 THR A 94 -1.419 8.466 5.376 1.00 4.24 H new ATOM 0 HG21 THR A 94 -1.714 6.098 5.970 1.00 73.12 H new ATOM 0 HG22 THR A 94 -3.209 5.686 6.844 1.00 73.12 H new ATOM 0 HG23 THR A 94 -3.264 6.028 5.099 1.00 73.12 H new ATOM 1404 N THR A 95 -5.134 8.932 4.214 1.00 23.43 N ATOM 1405 CA THR A 95 -5.764 8.873 2.883 1.00 34.43 C ATOM 1406 C THR A 95 -4.835 8.119 1.910 1.00 35.03 C ATOM 1407 O THR A 95 -3.705 8.557 1.661 1.00 23.31 O ATOM 1408 CB THR A 95 -6.076 10.299 2.317 1.00 12.03 C ATOM 1409 OG1 THR A 95 -6.786 11.071 3.303 1.00 2.24 O ATOM 1410 CG2 THR A 95 -6.928 10.224 1.028 1.00 24.15 C ATOM 0 H THR A 95 -4.611 9.790 4.390 1.00 23.43 H new ATOM 0 HA THR A 95 -6.712 8.346 2.985 1.00 34.43 H new ATOM 0 HB THR A 95 -5.125 10.775 2.077 1.00 12.03 H new ATOM 0 HG1 THR A 95 -6.977 11.963 2.945 1.00 2.24 H new ATOM 0 HG21 THR A 95 -7.125 11.232 0.663 1.00 24.15 H new ATOM 0 HG22 THR A 95 -6.387 9.662 0.267 1.00 24.15 H new ATOM 0 HG23 THR A 95 -7.873 9.725 1.245 1.00 24.15 H new ATOM 1418 N VAL A 96 -5.332 7.011 1.337 1.00 62.24 N ATOM 1419 CA VAL A 96 -4.548 6.153 0.431 1.00 51.11 C ATOM 1420 C VAL A 96 -5.062 6.349 -1.012 1.00 15.54 C ATOM 1421 O VAL A 96 -6.266 6.346 -1.259 1.00 23.42 O ATOM 1422 CB VAL A 96 -4.583 4.627 0.852 1.00 14.02 C ATOM 1423 CG1 VAL A 96 -3.759 4.392 2.139 1.00 31.33 C ATOM 1424 CG2 VAL A 96 -6.032 4.104 1.031 1.00 72.23 C ATOM 0 H VAL A 96 -6.286 6.684 1.488 1.00 62.24 H new ATOM 0 HA VAL A 96 -3.502 6.453 0.494 1.00 51.11 H new ATOM 0 HB VAL A 96 -4.130 4.061 0.038 1.00 14.02 H new ATOM 0 HG11 VAL A 96 -3.798 3.337 2.408 1.00 31.33 H new ATOM 0 HG12 VAL A 96 -2.723 4.684 1.966 1.00 31.33 H new ATOM 0 HG13 VAL A 96 -4.174 4.989 2.951 1.00 31.33 H new ATOM 0 HG21 VAL A 96 -6.006 3.053 1.320 1.00 72.23 H new ATOM 0 HG22 VAL A 96 -6.534 4.682 1.807 1.00 72.23 H new ATOM 0 HG23 VAL A 96 -6.575 4.209 0.092 1.00 72.23 H new ATOM 1434 N TYR A 97 -4.140 6.542 -1.952 1.00 62.02 N ATOM 1435 CA TYR A 97 -4.459 6.918 -3.336 1.00 62.15 C ATOM 1436 C TYR A 97 -4.195 5.784 -4.331 1.00 11.15 C ATOM 1437 O TYR A 97 -3.528 4.783 -4.037 1.00 33.55 O ATOM 1438 CB TYR A 97 -3.642 8.174 -3.746 1.00 14.51 C ATOM 1439 CG TYR A 97 -4.042 9.432 -2.963 1.00 73.20 C ATOM 1440 CD1 TYR A 97 -3.416 9.760 -1.761 1.00 32.04 C ATOM 1441 CD2 TYR A 97 -5.064 10.272 -3.414 1.00 21.43 C ATOM 1442 CE1 TYR A 97 -3.792 10.873 -1.047 1.00 24.31 C ATOM 1443 CE2 TYR A 97 -5.437 11.391 -2.698 1.00 61.15 C ATOM 1444 CZ TYR A 97 -4.800 11.688 -1.515 1.00 41.05 C ATOM 1445 OH TYR A 97 -5.172 12.809 -0.799 1.00 10.11 O ATOM 0 H TYR A 97 -3.140 6.442 -1.778 1.00 62.02 H new ATOM 0 HA TYR A 97 -5.526 7.137 -3.369 1.00 62.15 H new ATOM 0 HB2 TYR A 97 -2.581 7.978 -3.590 1.00 14.51 H new ATOM 0 HB3 TYR A 97 -3.779 8.357 -4.812 1.00 14.51 H new ATOM 0 HD1 TYR A 97 -2.623 9.130 -1.385 1.00 32.04 H new ATOM 0 HD2 TYR A 97 -5.571 10.041 -4.339 1.00 21.43 H new ATOM 0 HE1 TYR A 97 -3.296 11.109 -0.117 1.00 24.31 H new ATOM 0 HE2 TYR A 97 -6.226 12.031 -3.065 1.00 61.15 H new ATOM 0 HH TYR A 97 -4.438 13.459 -0.804 1.00 10.11 H new ATOM 1455 N MET A 98 -4.735 6.008 -5.522 1.00 24.05 N ATOM 1456 CA MET A 98 -4.582 5.154 -6.686 1.00 24.40 C ATOM 1457 C MET A 98 -3.941 6.010 -7.799 1.00 11.24 C ATOM 1458 O MET A 98 -4.566 6.957 -8.283 1.00 64.11 O ATOM 1459 CB MET A 98 -5.998 4.646 -7.062 1.00 43.14 C ATOM 1460 CG MET A 98 -6.067 3.752 -8.287 1.00 32.42 C ATOM 1461 SD MET A 98 -7.713 3.057 -8.575 1.00 62.32 S ATOM 1462 CE MET A 98 -8.751 4.515 -8.651 1.00 0.42 C ATOM 0 H MET A 98 -5.316 6.826 -5.708 1.00 24.05 H new ATOM 0 HA MET A 98 -3.942 4.289 -6.514 1.00 24.40 H new ATOM 0 HB2 MET A 98 -6.407 4.100 -6.212 1.00 43.14 H new ATOM 0 HB3 MET A 98 -6.643 5.509 -7.227 1.00 43.14 H new ATOM 0 HG2 MET A 98 -5.764 4.325 -9.163 1.00 32.42 H new ATOM 0 HG3 MET A 98 -5.351 2.938 -8.175 1.00 32.42 H new ATOM 0 HE1 MET A 98 -9.548 4.357 -9.377 1.00 0.42 H new ATOM 0 HE2 MET A 98 -9.187 4.703 -7.670 1.00 0.42 H new ATOM 0 HE3 MET A 98 -8.151 5.374 -8.952 1.00 0.42 H new ATOM 1472 N VAL A 99 -2.670 5.715 -8.161 1.00 5.44 N ATOM 1473 CA VAL A 99 -1.858 6.593 -9.061 1.00 22.55 C ATOM 1474 C VAL A 99 -1.216 5.819 -10.241 1.00 53.21 C ATOM 1475 O VAL A 99 -0.852 4.649 -10.110 1.00 74.02 O ATOM 1476 CB VAL A 99 -0.719 7.355 -8.258 1.00 12.43 C ATOM 1477 CG1 VAL A 99 -1.317 8.344 -7.222 1.00 1.43 C ATOM 1478 CG2 VAL A 99 0.264 6.363 -7.572 1.00 43.13 C ATOM 0 H VAL A 99 -2.178 4.878 -7.848 1.00 5.44 H new ATOM 0 HA VAL A 99 -2.561 7.317 -9.474 1.00 22.55 H new ATOM 0 HB VAL A 99 -0.151 7.935 -8.986 1.00 12.43 H new ATOM 0 HG11 VAL A 99 -0.509 8.848 -6.691 1.00 1.43 H new ATOM 0 HG12 VAL A 99 -1.929 9.084 -7.737 1.00 1.43 H new ATOM 0 HG13 VAL A 99 -1.933 7.796 -6.509 1.00 1.43 H new ATOM 0 HG21 VAL A 99 1.028 6.923 -7.033 1.00 43.13 H new ATOM 0 HG22 VAL A 99 -0.285 5.732 -6.873 1.00 43.13 H new ATOM 0 HG23 VAL A 99 0.738 5.738 -8.329 1.00 43.13 H new ATOM 1488 N ASP A 100 -1.080 6.495 -11.396 1.00 55.44 N ATOM 1489 CA ASP A 100 -0.347 5.971 -12.571 1.00 41.22 C ATOM 1490 C ASP A 100 1.020 6.689 -12.712 1.00 1.44 C ATOM 1491 O ASP A 100 1.106 7.898 -12.537 1.00 35.30 O ATOM 1492 CB ASP A 100 -1.194 6.132 -13.867 1.00 50.52 C ATOM 1493 CG ASP A 100 -1.514 7.593 -14.224 1.00 1.11 C ATOM 1494 OD1 ASP A 100 -0.719 8.232 -14.952 1.00 4.33 O ATOM 1495 OD2 ASP A 100 -2.549 8.115 -13.772 1.00 44.42 O ATOM 0 H ASP A 100 -1.475 7.423 -11.545 1.00 55.44 H new ATOM 0 HA ASP A 100 -0.165 4.907 -12.421 1.00 41.22 H new ATOM 0 HB2 ASP A 100 -0.659 5.674 -14.699 1.00 50.52 H new ATOM 0 HB3 ASP A 100 -2.129 5.584 -13.749 1.00 50.52 H new ATOM 1500 N TYR A 101 2.077 5.933 -13.027 1.00 65.13 N ATOM 1501 CA TYR A 101 3.449 6.468 -13.192 1.00 72.23 C ATOM 1502 C TYR A 101 4.302 5.544 -14.082 1.00 73.11 C ATOM 1503 O TYR A 101 3.839 4.498 -14.546 1.00 73.40 O ATOM 1504 CB TYR A 101 4.139 6.694 -11.811 1.00 4.32 C ATOM 1505 CG TYR A 101 4.329 5.427 -10.955 1.00 20.22 C ATOM 1506 CD1 TYR A 101 3.301 4.951 -10.138 1.00 51.01 C ATOM 1507 CD2 TYR A 101 5.545 4.724 -10.939 1.00 11.04 C ATOM 1508 CE1 TYR A 101 3.473 3.837 -9.349 1.00 64.52 C ATOM 1509 CE2 TYR A 101 5.714 3.602 -10.151 1.00 64.44 C ATOM 1510 CZ TYR A 101 4.675 3.164 -9.355 1.00 50.43 C ATOM 1511 OH TYR A 101 4.839 2.043 -8.564 1.00 70.03 O ATOM 0 H TYR A 101 2.013 4.926 -13.177 1.00 65.13 H new ATOM 0 HA TYR A 101 3.366 7.435 -13.688 1.00 72.23 H new ATOM 0 HB2 TYR A 101 5.115 7.147 -11.981 1.00 4.32 H new ATOM 0 HB3 TYR A 101 3.549 7.412 -11.242 1.00 4.32 H new ATOM 0 HD1 TYR A 101 2.353 5.467 -10.125 1.00 51.01 H new ATOM 0 HD2 TYR A 101 6.363 5.067 -11.554 1.00 11.04 H new ATOM 0 HE1 TYR A 101 2.664 3.489 -8.724 1.00 64.52 H new ATOM 0 HE2 TYR A 101 6.654 3.070 -10.158 1.00 64.44 H new ATOM 0 HH TYR A 101 3.991 1.555 -8.508 1.00 70.03 H new ATOM 1521 N THR A 102 5.553 5.955 -14.326 1.00 60.41 N ATOM 1522 CA THR A 102 6.553 5.136 -15.030 1.00 70.30 C ATOM 1523 C THR A 102 7.742 4.860 -14.084 1.00 22.13 C ATOM 1524 O THR A 102 8.428 5.799 -13.659 1.00 11.33 O ATOM 1525 CB THR A 102 7.046 5.840 -16.342 1.00 32.24 C ATOM 1526 OG1 THR A 102 5.924 6.105 -17.209 1.00 71.44 O ATOM 1527 CG2 THR A 102 8.078 4.990 -17.111 1.00 42.35 C ATOM 0 H THR A 102 5.903 6.869 -14.040 1.00 60.41 H new ATOM 0 HA THR A 102 6.091 4.192 -15.320 1.00 70.30 H new ATOM 0 HB THR A 102 7.528 6.770 -16.042 1.00 32.24 H new ATOM 0 HG1 THR A 102 6.239 6.546 -18.026 1.00 71.44 H new ATOM 0 HG21 THR A 102 8.388 5.521 -18.011 1.00 42.35 H new ATOM 0 HG22 THR A 102 8.947 4.812 -16.477 1.00 42.35 H new ATOM 0 HG23 THR A 102 7.629 4.036 -17.389 1.00 42.35 H new ATOM 1535 N SER A 103 7.934 3.573 -13.721 1.00 53.21 N ATOM 1536 CA SER A 103 9.082 3.112 -12.911 1.00 74.24 C ATOM 1537 C SER A 103 10.423 3.489 -13.584 1.00 53.03 C ATOM 1538 O SER A 103 10.776 2.926 -14.619 1.00 51.33 O ATOM 1539 CB SER A 103 9.010 1.579 -12.690 1.00 75.41 C ATOM 1540 OG SER A 103 7.838 1.220 -11.974 1.00 11.20 O ATOM 0 H SER A 103 7.295 2.822 -13.983 1.00 53.21 H new ATOM 0 HA SER A 103 9.031 3.611 -11.943 1.00 74.24 H new ATOM 0 HB2 SER A 103 9.022 1.069 -13.653 1.00 75.41 H new ATOM 0 HB3 SER A 103 9.891 1.246 -12.142 1.00 75.41 H new ATOM 0 HG SER A 103 7.816 0.248 -11.849 1.00 11.20 H new ATOM 1546 N THR A 104 11.138 4.457 -12.977 1.00 2.11 N ATOM 1547 CA THR A 104 12.416 5.014 -13.493 1.00 1.52 C ATOM 1548 C THR A 104 13.492 3.929 -13.768 1.00 30.00 C ATOM 1549 O THR A 104 14.314 4.087 -14.676 1.00 73.03 O ATOM 1550 CB THR A 104 13.001 6.073 -12.494 1.00 33.35 C ATOM 1551 OG1 THR A 104 13.278 5.445 -11.223 1.00 44.43 O ATOM 1552 CG2 THR A 104 12.031 7.259 -12.281 1.00 34.23 C ATOM 0 H THR A 104 10.843 4.885 -12.099 1.00 2.11 H new ATOM 0 HA THR A 104 12.173 5.485 -14.446 1.00 1.52 H new ATOM 0 HB THR A 104 13.921 6.464 -12.928 1.00 33.35 H new ATOM 0 HG1 THR A 104 12.435 5.252 -10.763 1.00 44.43 H new ATOM 0 HG21 THR A 104 12.473 7.970 -11.583 1.00 34.23 H new ATOM 0 HG22 THR A 104 11.846 7.754 -13.234 1.00 34.23 H new ATOM 0 HG23 THR A 104 11.089 6.890 -11.875 1.00 34.23 H new ATOM 1560 N THR A 105 13.470 2.831 -12.983 1.00 23.40 N ATOM 1561 CA THR A 105 14.397 1.684 -13.156 1.00 13.20 C ATOM 1562 C THR A 105 14.186 0.954 -14.512 1.00 40.12 C ATOM 1563 O THR A 105 15.089 0.913 -15.356 1.00 45.33 O ATOM 1564 CB THR A 105 14.241 0.644 -11.978 1.00 34.12 C ATOM 1565 OG1 THR A 105 14.602 1.247 -10.722 1.00 31.22 O ATOM 1566 CG2 THR A 105 15.088 -0.633 -12.181 1.00 21.12 C ATOM 0 H THR A 105 12.812 2.711 -12.213 1.00 23.40 H new ATOM 0 HA THR A 105 15.404 2.101 -13.144 1.00 13.20 H new ATOM 0 HB THR A 105 13.191 0.350 -11.973 1.00 34.12 H new ATOM 0 HG1 THR A 105 13.979 0.950 -10.026 1.00 31.22 H new ATOM 0 HG21 THR A 105 14.937 -1.307 -11.338 1.00 21.12 H new ATOM 0 HG22 THR A 105 14.783 -1.129 -13.102 1.00 21.12 H new ATOM 0 HG23 THR A 105 16.142 -0.364 -12.246 1.00 21.12 H new ATOM 1574 N SER A 106 12.971 0.412 -14.722 1.00 5.05 N ATOM 1575 CA SER A 106 12.690 -0.559 -15.823 1.00 64.40 C ATOM 1576 C SER A 106 11.973 0.079 -17.031 1.00 25.44 C ATOM 1577 O SER A 106 11.891 -0.537 -18.100 1.00 15.15 O ATOM 1578 CB SER A 106 11.836 -1.725 -15.264 1.00 22.33 C ATOM 1579 OG SER A 106 12.489 -2.347 -14.163 1.00 43.23 O ATOM 0 H SER A 106 12.157 0.625 -14.145 1.00 5.05 H new ATOM 0 HA SER A 106 13.652 -0.920 -16.188 1.00 64.40 H new ATOM 0 HB2 SER A 106 10.862 -1.350 -14.950 1.00 22.33 H new ATOM 0 HB3 SER A 106 11.657 -2.460 -16.049 1.00 22.33 H new ATOM 0 HG SER A 106 11.933 -3.079 -13.824 1.00 43.23 H new ATOM 1585 N GLY A 107 11.458 1.307 -16.854 1.00 11.33 N ATOM 1586 CA GLY A 107 10.611 1.959 -17.866 1.00 21.23 C ATOM 1587 C GLY A 107 9.181 1.404 -17.925 1.00 43.25 C ATOM 1588 O GLY A 107 8.448 1.675 -18.875 1.00 63.24 O ATOM 0 H GLY A 107 11.614 1.869 -16.017 1.00 11.33 H new ATOM 0 HA2 GLY A 107 10.568 3.028 -17.657 1.00 21.23 H new ATOM 0 HA3 GLY A 107 11.076 1.844 -18.845 1.00 21.23 H new ATOM 1592 N GLU A 108 8.792 0.602 -16.915 1.00 24.42 N ATOM 1593 CA GLU A 108 7.436 0.022 -16.803 1.00 23.10 C ATOM 1594 C GLU A 108 6.368 1.087 -16.441 1.00 72.45 C ATOM 1595 O GLU A 108 6.505 1.792 -15.440 1.00 22.15 O ATOM 1596 CB GLU A 108 7.451 -1.108 -15.729 1.00 64.22 C ATOM 1597 CG GLU A 108 6.082 -1.764 -15.431 1.00 14.55 C ATOM 1598 CD GLU A 108 5.447 -2.474 -16.645 1.00 30.00 C ATOM 1599 OE1 GLU A 108 5.823 -3.631 -16.924 1.00 32.52 O ATOM 1600 OE2 GLU A 108 4.570 -1.881 -17.320 1.00 71.51 O ATOM 0 H GLU A 108 9.411 0.336 -16.149 1.00 24.42 H new ATOM 0 HA GLU A 108 7.162 -0.385 -17.776 1.00 23.10 H new ATOM 0 HB2 GLU A 108 8.143 -1.885 -16.054 1.00 64.22 H new ATOM 0 HB3 GLU A 108 7.847 -0.697 -14.800 1.00 64.22 H new ATOM 0 HG2 GLU A 108 6.205 -2.487 -14.624 1.00 14.55 H new ATOM 0 HG3 GLU A 108 5.395 -0.998 -15.071 1.00 14.55 H new ATOM 1607 N LYS A 109 5.305 1.180 -17.262 1.00 75.31 N ATOM 1608 CA LYS A 109 4.120 2.006 -16.947 1.00 21.04 C ATOM 1609 C LYS A 109 3.246 1.293 -15.879 1.00 73.31 C ATOM 1610 O LYS A 109 2.460 0.397 -16.202 1.00 32.52 O ATOM 1611 CB LYS A 109 3.283 2.293 -18.232 1.00 12.54 C ATOM 1612 CG LYS A 109 4.019 3.106 -19.326 1.00 42.21 C ATOM 1613 CD LYS A 109 3.093 3.464 -20.518 1.00 21.41 C ATOM 1614 CE LYS A 109 3.794 4.290 -21.613 1.00 12.34 C ATOM 1615 NZ LYS A 109 4.853 3.528 -22.321 1.00 31.52 N ATOM 0 H LYS A 109 5.241 0.690 -18.155 1.00 75.31 H new ATOM 0 HA LYS A 109 4.461 2.961 -16.547 1.00 21.04 H new ATOM 0 HB2 LYS A 109 2.965 1.342 -18.660 1.00 12.54 H new ATOM 0 HB3 LYS A 109 2.380 2.832 -17.946 1.00 12.54 H new ATOM 0 HG2 LYS A 109 4.416 4.022 -18.889 1.00 42.21 H new ATOM 0 HG3 LYS A 109 4.871 2.532 -19.690 1.00 42.21 H new ATOM 0 HD2 LYS A 109 2.708 2.544 -20.958 1.00 21.41 H new ATOM 0 HD3 LYS A 109 2.234 4.023 -20.146 1.00 21.41 H new ATOM 0 HE2 LYS A 109 3.052 4.629 -22.336 1.00 12.34 H new ATOM 0 HE3 LYS A 109 4.233 5.181 -21.164 1.00 12.34 H new ATOM 0 HZ1 LYS A 109 5.290 4.132 -23.046 1.00 31.52 H new ATOM 0 HZ2 LYS A 109 5.578 3.226 -21.639 1.00 31.52 H new ATOM 0 HZ3 LYS A 109 4.434 2.691 -22.775 1.00 31.52 H new ATOM 1629 N VAL A 110 3.423 1.669 -14.600 1.00 64.25 N ATOM 1630 CA VAL A 110 2.647 1.098 -13.475 1.00 52.42 C ATOM 1631 C VAL A 110 1.420 1.991 -13.191 1.00 74.41 C ATOM 1632 O VAL A 110 1.558 3.090 -12.647 1.00 73.34 O ATOM 1633 CB VAL A 110 3.521 0.949 -12.174 1.00 50.23 C ATOM 1634 CG1 VAL A 110 2.709 0.323 -11.009 1.00 42.03 C ATOM 1635 CG2 VAL A 110 4.803 0.134 -12.455 1.00 52.55 C ATOM 0 H VAL A 110 4.103 2.373 -14.314 1.00 64.25 H new ATOM 0 HA VAL A 110 2.320 0.099 -13.763 1.00 52.42 H new ATOM 0 HB VAL A 110 3.819 1.951 -11.865 1.00 50.23 H new ATOM 0 HG11 VAL A 110 3.345 0.236 -10.128 1.00 42.03 H new ATOM 0 HG12 VAL A 110 1.854 0.959 -10.778 1.00 42.03 H new ATOM 0 HG13 VAL A 110 2.357 -0.666 -11.301 1.00 42.03 H new ATOM 0 HG21 VAL A 110 5.387 0.047 -11.539 1.00 52.55 H new ATOM 0 HG22 VAL A 110 4.532 -0.861 -12.808 1.00 52.55 H new ATOM 0 HG23 VAL A 110 5.396 0.640 -13.217 1.00 52.55 H new ATOM 1645 N LYS A 111 0.219 1.501 -13.545 1.00 31.43 N ATOM 1646 CA LYS A 111 -1.028 2.290 -13.438 1.00 34.22 C ATOM 1647 C LYS A 111 -1.894 1.794 -12.267 1.00 62.45 C ATOM 1648 O LYS A 111 -1.962 0.587 -12.002 1.00 2.51 O ATOM 1649 CB LYS A 111 -1.840 2.253 -14.760 1.00 51.34 C ATOM 1650 CG LYS A 111 -1.123 2.906 -15.969 1.00 11.34 C ATOM 1651 CD LYS A 111 -2.061 3.078 -17.189 1.00 5.33 C ATOM 1652 CE LYS A 111 -1.370 3.751 -18.389 1.00 24.31 C ATOM 1653 NZ LYS A 111 -2.326 4.050 -19.492 1.00 75.10 N ATOM 0 H LYS A 111 0.082 0.558 -13.910 1.00 31.43 H new ATOM 0 HA LYS A 111 -0.742 3.324 -13.246 1.00 34.22 H new ATOM 0 HB2 LYS A 111 -2.066 1.215 -15.004 1.00 51.34 H new ATOM 0 HB3 LYS A 111 -2.793 2.758 -14.602 1.00 51.34 H new ATOM 0 HG2 LYS A 111 -0.733 3.880 -15.674 1.00 11.34 H new ATOM 0 HG3 LYS A 111 -0.268 2.294 -16.255 1.00 11.34 H new ATOM 0 HD2 LYS A 111 -2.435 2.100 -17.493 1.00 5.33 H new ATOM 0 HD3 LYS A 111 -2.926 3.673 -16.894 1.00 5.33 H new ATOM 0 HE2 LYS A 111 -0.895 4.676 -18.061 1.00 24.31 H new ATOM 0 HE3 LYS A 111 -0.579 3.101 -18.762 1.00 24.31 H new ATOM 0 HZ1 LYS A 111 -1.818 4.502 -20.279 1.00 75.10 H new ATOM 0 HZ2 LYS A 111 -2.761 3.165 -19.824 1.00 75.10 H new ATOM 0 HZ3 LYS A 111 -3.067 4.691 -19.145 1.00 75.10 H new ATOM 1667 N ASN A 112 -2.566 2.749 -11.595 1.00 14.41 N ATOM 1668 CA ASN A 112 -3.461 2.483 -10.443 1.00 33.21 C ATOM 1669 C ASN A 112 -2.767 1.684 -9.300 1.00 32.55 C ATOM 1670 O ASN A 112 -3.386 0.819 -8.666 1.00 1.03 O ATOM 1671 CB ASN A 112 -4.773 1.785 -10.930 1.00 41.31 C ATOM 1672 CG ASN A 112 -5.647 2.687 -11.806 1.00 43.44 C ATOM 1673 OD1 ASN A 112 -5.159 3.546 -12.531 1.00 1.01 O ATOM 1674 ND2 ASN A 112 -6.953 2.527 -11.722 1.00 32.34 N ATOM 0 H ASN A 112 -2.505 3.738 -11.836 1.00 14.41 H new ATOM 0 HA ASN A 112 -3.721 3.447 -10.005 1.00 33.21 H new ATOM 0 HB2 ASN A 112 -4.513 0.887 -11.491 1.00 41.31 H new ATOM 0 HB3 ASN A 112 -5.349 1.463 -10.062 1.00 41.31 H new ATOM 0 HD21 ASN A 112 -7.576 3.124 -12.266 1.00 32.34 H new ATOM 0 HD22 ASN A 112 -7.340 1.806 -11.113 1.00 32.34 H new ATOM 1681 N HIS A 113 -1.488 2.021 -9.040 1.00 14.44 N ATOM 1682 CA HIS A 113 -0.673 1.390 -7.976 1.00 73.44 C ATOM 1683 C HIS A 113 -1.290 1.630 -6.573 1.00 12.31 C ATOM 1684 O HIS A 113 -1.639 2.764 -6.210 1.00 22.10 O ATOM 1685 CB HIS A 113 0.782 1.915 -8.022 1.00 74.24 C ATOM 1686 CG HIS A 113 1.743 1.188 -7.096 1.00 42.51 C ATOM 1687 ND1 HIS A 113 2.474 0.107 -7.528 1.00 75.43 N ATOM 1688 CD2 HIS A 113 2.031 1.409 -5.785 1.00 24.50 C ATOM 1689 CE1 HIS A 113 3.174 -0.302 -6.488 1.00 41.02 C ATOM 1690 NE2 HIS A 113 2.941 0.453 -5.412 1.00 4.53 N ATOM 0 H HIS A 113 -0.987 2.740 -9.562 1.00 14.44 H new ATOM 0 HA HIS A 113 -0.664 0.315 -8.159 1.00 73.44 H new ATOM 0 HB2 HIS A 113 1.152 1.835 -9.044 1.00 74.24 H new ATOM 0 HB3 HIS A 113 0.781 2.974 -7.765 1.00 74.24 H new ATOM 0 HD2 HIS A 113 1.622 2.188 -5.158 1.00 24.50 H new ATOM 0 HE1 HIS A 113 3.851 -1.143 -6.505 1.00 41.02 H new ATOM 0 HE2 HIS A 113 3.360 0.340 -4.489 1.00 4.53 H new ATOM 1698 N LYS A 114 -1.398 0.540 -5.799 1.00 21.53 N ATOM 1699 CA LYS A 114 -2.040 0.524 -4.468 1.00 35.24 C ATOM 1700 C LYS A 114 -1.161 -0.263 -3.447 1.00 51.02 C ATOM 1701 O LYS A 114 -0.476 -1.205 -3.838 1.00 41.13 O ATOM 1702 CB LYS A 114 -3.448 -0.137 -4.593 1.00 54.10 C ATOM 1703 CG LYS A 114 -4.477 0.684 -5.414 1.00 65.12 C ATOM 1704 CD LYS A 114 -5.825 -0.051 -5.596 1.00 63.14 C ATOM 1705 CE LYS A 114 -6.888 0.836 -6.265 1.00 2.44 C ATOM 1706 NZ LYS A 114 -8.201 0.156 -6.404 1.00 12.14 N ATOM 0 H LYS A 114 -1.037 -0.372 -6.081 1.00 21.53 H new ATOM 0 HA LYS A 114 -2.146 1.546 -4.104 1.00 35.24 H new ATOM 0 HB2 LYS A 114 -3.335 -1.118 -5.055 1.00 54.10 H new ATOM 0 HB3 LYS A 114 -3.848 -0.300 -3.592 1.00 54.10 H new ATOM 0 HG2 LYS A 114 -4.653 1.638 -4.917 1.00 65.12 H new ATOM 0 HG3 LYS A 114 -4.056 0.909 -6.394 1.00 65.12 H new ATOM 0 HD2 LYS A 114 -5.670 -0.946 -6.199 1.00 63.14 H new ATOM 0 HD3 LYS A 114 -6.190 -0.381 -4.624 1.00 63.14 H new ATOM 0 HE2 LYS A 114 -7.016 1.746 -5.679 1.00 2.44 H new ATOM 0 HE3 LYS A 114 -6.534 1.138 -7.251 1.00 2.44 H new ATOM 0 HZ1 LYS A 114 -8.966 0.846 -6.263 1.00 12.14 H new ATOM 0 HZ2 LYS A 114 -8.279 -0.258 -7.355 1.00 12.14 H new ATOM 0 HZ3 LYS A 114 -8.279 -0.598 -5.691 1.00 12.14 H new ATOM 1720 N TRP A 115 -1.131 0.115 -2.141 1.00 61.33 N ATOM 1721 CA TRP A 115 -1.706 1.375 -1.587 1.00 20.01 C ATOM 1722 C TRP A 115 -0.572 2.346 -1.151 1.00 34.24 C ATOM 1723 O TRP A 115 0.324 1.966 -0.393 1.00 33.23 O ATOM 1724 CB TRP A 115 -2.644 1.062 -0.382 1.00 11.23 C ATOM 1725 CG TRP A 115 -3.802 0.138 -0.715 1.00 65.15 C ATOM 1726 CD1 TRP A 115 -3.879 -1.213 -0.508 1.00 50.51 C ATOM 1727 CD2 TRP A 115 -5.043 0.506 -1.328 1.00 73.44 C ATOM 1728 NE1 TRP A 115 -5.070 -1.697 -0.965 1.00 54.24 N ATOM 1729 CE2 TRP A 115 -5.802 -0.669 -1.473 1.00 21.44 C ATOM 1730 CE3 TRP A 115 -5.583 1.715 -1.769 1.00 73.04 C ATOM 1731 CZ2 TRP A 115 -7.071 -0.669 -2.038 1.00 62.43 C ATOM 1732 CZ3 TRP A 115 -6.839 1.712 -2.334 1.00 34.33 C ATOM 1733 CH2 TRP A 115 -7.576 0.528 -2.463 1.00 4.44 C ATOM 0 H TRP A 115 -0.694 -0.463 -1.423 1.00 61.33 H new ATOM 0 HA TRP A 115 -2.293 1.857 -2.368 1.00 20.01 H new ATOM 0 HB2 TRP A 115 -2.053 0.612 0.416 1.00 11.23 H new ATOM 0 HB3 TRP A 115 -3.042 1.999 0.006 1.00 11.23 H new ATOM 0 HD1 TRP A 115 -3.106 -1.811 -0.048 1.00 50.51 H new ATOM 0 HE1 TRP A 115 -5.364 -2.673 -0.931 1.00 54.24 H new ATOM 0 HE3 TRP A 115 -5.027 2.635 -1.669 1.00 73.04 H new ATOM 0 HZ2 TRP A 115 -7.639 -1.582 -2.138 1.00 62.43 H new ATOM 0 HZ3 TRP A 115 -7.264 2.641 -2.684 1.00 34.33 H new ATOM 0 HH2 TRP A 115 -8.560 0.561 -2.906 1.00 4.44 H new ATOM 1744 N VAL A 116 -0.639 3.595 -1.646 1.00 33.15 N ATOM 1745 CA VAL A 116 0.317 4.693 -1.304 1.00 52.54 C ATOM 1746 C VAL A 116 -0.445 5.866 -0.653 1.00 5.03 C ATOM 1747 O VAL A 116 -1.653 5.934 -0.767 1.00 33.42 O ATOM 1748 CB VAL A 116 1.108 5.205 -2.569 1.00 14.12 C ATOM 1749 CG1 VAL A 116 2.053 4.110 -3.120 1.00 14.21 C ATOM 1750 CG2 VAL A 116 0.142 5.716 -3.677 1.00 53.50 C ATOM 0 H VAL A 116 -1.363 3.886 -2.303 1.00 33.15 H new ATOM 0 HA VAL A 116 1.046 4.288 -0.602 1.00 52.54 H new ATOM 0 HB VAL A 116 1.721 6.048 -2.250 1.00 14.12 H new ATOM 0 HG11 VAL A 116 2.584 4.493 -3.991 1.00 14.21 H new ATOM 0 HG12 VAL A 116 2.772 3.830 -2.351 1.00 14.21 H new ATOM 0 HG13 VAL A 116 1.469 3.236 -3.406 1.00 14.21 H new ATOM 0 HG21 VAL A 116 0.721 6.061 -4.534 1.00 53.50 H new ATOM 0 HG22 VAL A 116 -0.517 4.905 -3.987 1.00 53.50 H new ATOM 0 HG23 VAL A 116 -0.455 6.540 -3.287 1.00 53.50 H new ATOM 1760 N THR A 117 0.249 6.777 0.048 1.00 25.03 N ATOM 1761 CA THR A 117 -0.398 7.963 0.691 1.00 12.34 C ATOM 1762 C THR A 117 0.114 9.304 0.130 1.00 71.54 C ATOM 1763 O THR A 117 1.096 9.352 -0.614 1.00 15.33 O ATOM 1764 CB THR A 117 -0.204 7.951 2.242 1.00 0.41 C ATOM 1765 OG1 THR A 117 1.192 7.875 2.565 1.00 42.54 O ATOM 1766 CG2 THR A 117 -0.950 6.784 2.893 1.00 1.33 C ATOM 0 H THR A 117 1.258 6.727 0.192 1.00 25.03 H new ATOM 0 HA THR A 117 -1.459 7.880 0.454 1.00 12.34 H new ATOM 0 HB THR A 117 -0.619 8.879 2.635 1.00 0.41 H new ATOM 0 HG1 THR A 117 1.570 7.053 2.189 1.00 42.54 H new ATOM 0 HG21 THR A 117 -0.792 6.808 3.971 1.00 1.33 H new ATOM 0 HG22 THR A 117 -2.016 6.869 2.680 1.00 1.33 H new ATOM 0 HG23 THR A 117 -0.574 5.843 2.492 1.00 1.33 H new ATOM 1774 N GLU A 118 -0.563 10.402 0.535 1.00 40.54 N ATOM 1775 CA GLU A 118 -0.221 11.784 0.112 1.00 10.14 C ATOM 1776 C GLU A 118 1.144 12.240 0.680 1.00 35.13 C ATOM 1777 O GLU A 118 1.864 13.013 0.044 1.00 42.24 O ATOM 1778 CB GLU A 118 -1.347 12.758 0.557 1.00 34.23 C ATOM 1779 CG GLU A 118 -1.220 14.203 0.032 1.00 3.34 C ATOM 1780 CD GLU A 118 -2.471 15.054 0.320 1.00 30.32 C ATOM 1781 OE1 GLU A 118 -2.583 15.616 1.431 1.00 13.02 O ATOM 1782 OE2 GLU A 118 -3.356 15.145 -0.562 1.00 21.54 O ATOM 0 H GLU A 118 -1.364 10.357 1.165 1.00 40.54 H new ATOM 0 HA GLU A 118 -0.137 11.794 -0.975 1.00 10.14 H new ATOM 0 HB2 GLU A 118 -2.304 12.353 0.229 1.00 34.23 H new ATOM 0 HB3 GLU A 118 -1.370 12.786 1.646 1.00 34.23 H new ATOM 0 HG2 GLU A 118 -0.351 14.676 0.489 1.00 3.34 H new ATOM 0 HG3 GLU A 118 -1.041 14.180 -1.043 1.00 3.34 H new ATOM 1789 N ASP A 119 1.487 11.747 1.884 1.00 64.12 N ATOM 1790 CA ASP A 119 2.807 11.998 2.522 1.00 21.44 C ATOM 1791 C ASP A 119 3.956 11.242 1.797 1.00 61.33 C ATOM 1792 O ASP A 119 5.130 11.600 1.934 1.00 2.30 O ATOM 1793 CB ASP A 119 2.749 11.605 4.015 1.00 12.24 C ATOM 1794 CG ASP A 119 1.707 12.429 4.789 1.00 3.13 C ATOM 1795 OD1 ASP A 119 2.046 13.540 5.255 1.00 31.43 O ATOM 1796 OD2 ASP A 119 0.542 11.976 4.913 1.00 73.43 O ATOM 0 H ASP A 119 0.865 11.165 2.446 1.00 64.12 H new ATOM 0 HA ASP A 119 3.025 13.063 2.439 1.00 21.44 H new ATOM 0 HB2 ASP A 119 2.510 10.545 4.102 1.00 12.24 H new ATOM 0 HB3 ASP A 119 3.731 11.748 4.466 1.00 12.24 H new ATOM 1801 N GLU A 120 3.600 10.197 1.030 1.00 23.13 N ATOM 1802 CA GLU A 120 4.543 9.472 0.138 1.00 70.20 C ATOM 1803 C GLU A 120 4.546 10.064 -1.293 1.00 50.05 C ATOM 1804 O GLU A 120 5.218 9.546 -2.184 1.00 43.51 O ATOM 1805 CB GLU A 120 4.171 7.966 0.106 1.00 71.15 C ATOM 1806 CG GLU A 120 4.241 7.289 1.489 1.00 41.52 C ATOM 1807 CD GLU A 120 3.896 5.795 1.458 1.00 10.14 C ATOM 1808 OE1 GLU A 120 2.735 5.465 1.153 1.00 33.13 O ATOM 1809 OE2 GLU A 120 4.771 4.959 1.749 1.00 64.01 O ATOM 0 H GLU A 120 2.651 9.825 1.006 1.00 23.13 H new ATOM 0 HA GLU A 120 5.551 9.588 0.536 1.00 70.20 H new ATOM 0 HB2 GLU A 120 3.163 7.857 -0.293 1.00 71.15 H new ATOM 0 HB3 GLU A 120 4.843 7.448 -0.578 1.00 71.15 H new ATOM 0 HG2 GLU A 120 5.245 7.413 1.895 1.00 41.52 H new ATOM 0 HG3 GLU A 120 3.557 7.798 2.168 1.00 41.52 H new ATOM 1816 N LEU A 121 3.788 11.161 -1.485 1.00 14.32 N ATOM 1817 CA LEU A 121 3.724 11.938 -2.749 1.00 75.24 C ATOM 1818 C LEU A 121 4.150 13.407 -2.480 1.00 50.22 C ATOM 1819 O LEU A 121 4.336 13.815 -1.325 1.00 70.30 O ATOM 1820 CB LEU A 121 2.278 11.893 -3.338 1.00 4.55 C ATOM 1821 CG LEU A 121 1.707 10.472 -3.662 1.00 14.34 C ATOM 1822 CD1 LEU A 121 0.228 10.547 -4.111 1.00 43.15 C ATOM 1823 CD2 LEU A 121 2.574 9.742 -4.714 1.00 53.32 C ATOM 0 H LEU A 121 3.189 11.544 -0.754 1.00 14.32 H new ATOM 0 HA LEU A 121 4.406 11.496 -3.475 1.00 75.24 H new ATOM 0 HB2 LEU A 121 1.605 12.380 -2.632 1.00 4.55 H new ATOM 0 HB3 LEU A 121 2.262 12.485 -4.253 1.00 4.55 H new ATOM 0 HG LEU A 121 1.744 9.889 -2.742 1.00 14.34 H new ATOM 0 HD11 LEU A 121 -0.138 9.543 -4.328 1.00 43.15 H new ATOM 0 HD12 LEU A 121 -0.372 10.987 -3.315 1.00 43.15 H new ATOM 0 HD13 LEU A 121 0.151 11.163 -5.007 1.00 43.15 H new ATOM 0 HD21 LEU A 121 2.150 8.758 -4.916 1.00 53.32 H new ATOM 0 HD22 LEU A 121 2.595 10.324 -5.635 1.00 53.32 H new ATOM 0 HD23 LEU A 121 3.589 9.628 -4.333 1.00 53.32 H new ATOM 1835 N SER A 122 4.305 14.195 -3.556 1.00 52.04 N ATOM 1836 CA SER A 122 4.656 15.634 -3.478 1.00 32.25 C ATOM 1837 C SER A 122 3.996 16.400 -4.640 1.00 13.32 C ATOM 1838 O SER A 122 4.236 16.077 -5.801 1.00 62.15 O ATOM 1839 CB SER A 122 6.198 15.836 -3.525 1.00 45.22 C ATOM 1840 OG SER A 122 6.854 15.228 -2.418 1.00 14.15 O ATOM 0 H SER A 122 4.191 13.856 -4.511 1.00 52.04 H new ATOM 0 HA SER A 122 4.287 16.023 -2.529 1.00 32.25 H new ATOM 0 HB2 SER A 122 6.589 15.417 -4.452 1.00 45.22 H new ATOM 0 HB3 SER A 122 6.423 16.903 -3.537 1.00 45.22 H new ATOM 0 HG SER A 122 7.820 15.377 -2.488 1.00 14.15 H new ATOM 1846 N ALA A 123 3.181 17.421 -4.328 1.00 72.34 N ATOM 1847 CA ALA A 123 2.505 18.252 -5.351 1.00 72.53 C ATOM 1848 C ALA A 123 3.533 19.109 -6.134 1.00 43.54 C ATOM 1849 O ALA A 123 4.155 20.018 -5.566 1.00 62.32 O ATOM 1850 CB ALA A 123 1.431 19.136 -4.686 1.00 62.43 C ATOM 0 H ALA A 123 2.970 17.696 -3.369 1.00 72.34 H new ATOM 0 HA ALA A 123 2.013 17.595 -6.068 1.00 72.53 H new ATOM 0 HB1 ALA A 123 0.939 19.744 -5.445 1.00 62.43 H new ATOM 0 HB2 ALA A 123 0.693 18.503 -4.193 1.00 62.43 H new ATOM 0 HB3 ALA A 123 1.901 19.787 -3.949 1.00 62.43 H new ATOM 1856 N LYS A 124 3.733 18.786 -7.430 1.00 52.24 N ATOM 1857 CA LYS A 124 4.727 19.469 -8.276 1.00 51.22 C ATOM 1858 C LYS A 124 4.141 20.777 -8.873 1.00 40.30 C ATOM 1859 O LYS A 124 3.606 20.795 -9.986 1.00 61.44 O ATOM 1860 CB LYS A 124 5.253 18.511 -9.389 1.00 11.15 C ATOM 1861 CG LYS A 124 6.448 19.073 -10.203 1.00 54.05 C ATOM 1862 CD LYS A 124 6.941 18.112 -11.318 1.00 1.22 C ATOM 1863 CE LYS A 124 5.902 17.902 -12.436 1.00 73.42 C ATOM 1864 NZ LYS A 124 5.647 19.151 -13.203 1.00 75.45 N ATOM 0 H LYS A 124 3.214 18.052 -7.912 1.00 52.24 H new ATOM 0 HA LYS A 124 5.577 19.749 -7.653 1.00 51.22 H new ATOM 0 HB2 LYS A 124 5.553 17.569 -8.929 1.00 11.15 H new ATOM 0 HB3 LYS A 124 4.436 18.286 -10.074 1.00 11.15 H new ATOM 0 HG2 LYS A 124 6.157 20.022 -10.654 1.00 54.05 H new ATOM 0 HG3 LYS A 124 7.274 19.283 -9.524 1.00 54.05 H new ATOM 0 HD2 LYS A 124 7.858 18.509 -11.752 1.00 1.22 H new ATOM 0 HD3 LYS A 124 7.189 17.148 -10.875 1.00 1.22 H new ATOM 0 HE2 LYS A 124 6.253 17.125 -13.115 1.00 73.42 H new ATOM 0 HE3 LYS A 124 4.968 17.547 -12.001 1.00 73.42 H new ATOM 0 HZ1 LYS A 124 5.021 18.943 -14.007 1.00 75.45 H new ATOM 0 HZ2 LYS A 124 5.193 19.852 -12.583 1.00 75.45 H new ATOM 0 HZ3 LYS A 124 6.548 19.532 -13.556 1.00 75.45 H new