USER MOD reduce.3.24.130724 H: found=0, std=0, add=612, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 612 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 5 THR OG1 : rot 178:sc= 0.823 USER MOD Set 1.2: A 65 ASN : amide:sc= 1.61 K(o=2.8,f=-3.9!) USER MOD Set 1.3: A 67 HIS : no HE2:sc= 0.414 K(o=2.8,f=-7.9!) USER MOD Set 2.1: A 53 GLN : amide:sc= -0.207 K(o=-0.2,f=-1.6) USER MOD Set 2.2: A 73 THR OG1 : rot 38:sc= 0.0101 USER MOD Set 3.1: A 43 SER OG : rot -53:sc= 0.614 USER MOD Set 3.2: A 46 GLN : amide:sc= 0.376 K(o=0.99,f=-1.4) USER MOD Set 4.1: A 25 THR OG1 : rot -110:sc= 0.287 USER MOD Set 4.2: A 39 LYS NZ :NH3+ 175:sc= 0.297 (180deg=0) USER MOD Set 5.1: A 33 ASN : amide:sc= -0.361 X(o=1.3,f=1.5) USER MOD Set 5.2: A 36 TYR OH : rot 42:sc= 1.7 USER MOD Set 6.1: A 27 THR OG1 : rot -169:sc= 0.43 USER MOD Set 6.2: A 72 GLN : amide:sc= 0.289 K(o=0.72,f=-0.73) USER MOD Single : A 3 SER OG : rot -24:sc= 0.348 USER MOD Single : A 4 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot -114:sc= 0.632 USER MOD Single : A 8 GLN : amide:sc= -0.104 K(o=-0.1,f=-0.97) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -0.0983 X(o=-0.098,f=-0.15) USER MOD Single : A 17 ASN :FLIP amide:sc= 0 F(o=-1.5,f=0) USER MOD Single : A 28 SER OG : rot 46:sc= 0.0816 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 35 HIS :FLIP no HD1:sc= 0 F(o=-0.68,f=0) USER MOD Single : A 37 SER OG : rot -96:sc= -1.27 USER MOD Single : A 42 SER OG : rot 76:sc= 1.16 USER MOD Single : A 44 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 48 LYS NZ :NH3+ -113:sc= 1.11 (180deg=-0.495) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 HIS : no HD1:sc= -0.435 X(o=-0.43,f=-0.064) USER MOD Single : A 56 MET CE :methyl -175:sc= -0.681 (180deg=-0.851) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ -163:sc= -0.0871 (180deg=-0.454) USER MOD Single : A 70 GLN : amide:sc= -1.26 K(o=-1.3,f=-6.4!) USER MOD Single : A 75 CYS SG : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ -165:sc= -0.0724 (180deg=-0.35) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -15.645 -12.773 -24.051 1.00 72.44 N ATOM 2 CA PRO A 1 -15.645 -14.233 -23.851 1.00 63.23 C ATOM 3 C PRO A 1 -14.277 -14.812 -24.183 1.00 50.34 C ATOM 4 O PRO A 1 -13.348 -14.071 -24.502 1.00 54.34 O ATOM 5 CB PRO A 1 -16.720 -14.845 -24.738 1.00 35.02 C ATOM 6 CG PRO A 1 -17.399 -13.667 -25.353 1.00 24.21 C ATOM 7 CD PRO A 1 -16.991 -12.450 -24.546 1.00 63.42 C ATOM 0 H2 PRO A 1 -14.929 -12.493 -24.722 1.00 72.44 H new ATOM 0 H3 PRO A 1 -15.446 -12.282 -23.180 1.00 72.44 H new ATOM 0 HA PRO A 1 -15.859 -14.465 -22.808 1.00 63.23 H new ATOM 0 HB2 PRO A 1 -16.287 -15.497 -25.497 1.00 35.02 H new ATOM 0 HB3 PRO A 1 -17.418 -15.450 -24.159 1.00 35.02 H new ATOM 0 HG2 PRO A 1 -17.105 -13.554 -26.397 1.00 24.21 H new ATOM 0 HG3 PRO A 1 -18.481 -13.795 -25.338 1.00 24.21 H new ATOM 0 HD2 PRO A 1 -16.983 -11.550 -25.161 1.00 63.42 H new ATOM 0 HD3 PRO A 1 -17.683 -12.268 -23.724 1.00 63.42 H new ATOM 17 N GLY A 2 -14.160 -16.128 -24.115 1.00 35.53 N ATOM 18 CA GLY A 2 -12.885 -16.775 -24.328 1.00 24.52 C ATOM 19 C GLY A 2 -12.290 -17.259 -23.026 1.00 1.40 C ATOM 20 O GLY A 2 -13.018 -17.626 -22.105 1.00 22.44 O ATOM 0 H GLY A 2 -14.932 -16.764 -23.914 1.00 35.53 H new ATOM 0 HA2 GLY A 2 -13.012 -17.618 -25.008 1.00 24.52 H new ATOM 0 HA3 GLY A 2 -12.197 -16.079 -24.808 1.00 24.52 H new ATOM 24 N SER A 3 -10.970 -17.241 -22.936 1.00 10.13 N ATOM 25 CA SER A 3 -10.286 -17.644 -21.718 1.00 12.40 C ATOM 26 C SER A 3 -10.167 -16.461 -20.762 1.00 50.22 C ATOM 27 O SER A 3 -9.718 -16.613 -19.626 1.00 24.11 O ATOM 28 CB SER A 3 -8.900 -18.206 -22.054 1.00 44.31 C ATOM 29 OG SER A 3 -8.197 -18.618 -20.890 1.00 54.01 O ATOM 0 H SER A 3 -10.350 -16.951 -23.693 1.00 10.13 H new ATOM 0 HA SER A 3 -10.868 -18.425 -21.228 1.00 12.40 H new ATOM 0 HB2 SER A 3 -9.007 -19.053 -22.732 1.00 44.31 H new ATOM 0 HB3 SER A 3 -8.319 -17.448 -22.579 1.00 44.31 H new ATOM 0 HG SER A 3 -8.543 -18.135 -20.111 1.00 54.01 H new ATOM 35 N MET A 4 -10.580 -15.289 -21.227 1.00 64.30 N ATOM 36 CA MET A 4 -10.498 -14.075 -20.428 1.00 73.21 C ATOM 37 C MET A 4 -11.729 -13.923 -19.550 1.00 42.35 C ATOM 38 O MET A 4 -12.842 -13.731 -20.045 1.00 54.24 O ATOM 39 CB MET A 4 -10.362 -12.843 -21.324 1.00 72.52 C ATOM 40 CG MET A 4 -9.064 -12.786 -22.109 1.00 21.33 C ATOM 41 SD MET A 4 -8.978 -11.334 -23.175 1.00 14.12 S ATOM 42 CE MET A 4 -7.365 -11.559 -23.918 1.00 12.30 C ATOM 0 H MET A 4 -10.976 -15.154 -22.157 1.00 64.30 H new ATOM 0 HA MET A 4 -9.614 -14.156 -19.795 1.00 73.21 H new ATOM 0 HB2 MET A 4 -11.198 -12.822 -22.023 1.00 72.52 H new ATOM 0 HB3 MET A 4 -10.440 -11.948 -20.707 1.00 72.52 H new ATOM 0 HG2 MET A 4 -8.222 -12.777 -21.416 1.00 21.33 H new ATOM 0 HG3 MET A 4 -8.968 -13.687 -22.716 1.00 21.33 H new ATOM 0 HE1 MET A 4 -7.164 -10.738 -24.606 1.00 12.30 H new ATOM 0 HE2 MET A 4 -6.604 -11.574 -23.138 1.00 12.30 H new ATOM 0 HE3 MET A 4 -7.344 -12.503 -24.463 1.00 12.30 H new ATOM 52 N THR A 5 -11.524 -14.018 -18.249 1.00 5.32 N ATOM 53 CA THR A 5 -12.592 -13.813 -17.290 1.00 22.53 C ATOM 54 C THR A 5 -12.145 -12.813 -16.228 1.00 65.22 C ATOM 55 O THR A 5 -11.298 -13.118 -15.392 1.00 62.04 O ATOM 56 CB THR A 5 -12.995 -15.145 -16.625 1.00 42.10 C ATOM 57 OG1 THR A 5 -13.186 -16.144 -17.637 1.00 71.41 O ATOM 58 CG2 THR A 5 -14.275 -14.988 -15.816 1.00 53.01 C ATOM 0 H THR A 5 -10.620 -14.238 -17.831 1.00 5.32 H new ATOM 0 HA THR A 5 -13.461 -13.418 -17.817 1.00 22.53 H new ATOM 0 HB THR A 5 -12.197 -15.448 -15.947 1.00 42.10 H new ATOM 0 HG1 THR A 5 -13.409 -16.999 -17.214 1.00 71.41 H new ATOM 0 HG21 THR A 5 -14.536 -15.942 -15.358 1.00 53.01 H new ATOM 0 HG22 THR A 5 -14.124 -14.241 -15.037 1.00 53.01 H new ATOM 0 HG23 THR A 5 -15.084 -14.668 -16.473 1.00 53.01 H new ATOM 66 N VAL A 6 -12.724 -11.624 -16.263 1.00 4.20 N ATOM 67 CA VAL A 6 -12.304 -10.546 -15.382 1.00 13.52 C ATOM 68 C VAL A 6 -13.522 -9.772 -14.881 1.00 40.55 C ATOM 69 O VAL A 6 -14.588 -9.826 -15.498 1.00 4.41 O ATOM 70 CB VAL A 6 -11.323 -9.591 -16.107 1.00 75.41 C ATOM 71 CG1 VAL A 6 -12.023 -8.829 -17.222 1.00 44.14 C ATOM 72 CG2 VAL A 6 -10.655 -8.636 -15.126 1.00 12.15 C ATOM 0 H VAL A 6 -13.488 -11.380 -16.893 1.00 4.20 H new ATOM 0 HA VAL A 6 -11.786 -10.983 -14.528 1.00 13.52 H new ATOM 0 HB VAL A 6 -10.541 -10.201 -16.559 1.00 75.41 H new ATOM 0 HG11 VAL A 6 -11.310 -8.167 -17.713 1.00 44.14 H new ATOM 0 HG12 VAL A 6 -12.423 -9.535 -17.950 1.00 44.14 H new ATOM 0 HG13 VAL A 6 -12.838 -8.239 -16.803 1.00 44.14 H new ATOM 0 HG21 VAL A 6 -9.973 -7.979 -15.665 1.00 12.15 H new ATOM 0 HG22 VAL A 6 -11.416 -8.037 -14.626 1.00 12.15 H new ATOM 0 HG23 VAL A 6 -10.098 -9.208 -14.384 1.00 12.15 H new ATOM 82 N THR A 7 -13.368 -9.074 -13.764 1.00 31.41 N ATOM 83 CA THR A 7 -14.463 -8.318 -13.187 1.00 35.31 C ATOM 84 C THR A 7 -14.493 -6.897 -13.747 1.00 31.42 C ATOM 85 O THR A 7 -13.490 -6.393 -14.264 1.00 72.04 O ATOM 86 CB THR A 7 -14.364 -8.271 -11.643 1.00 54.51 C ATOM 87 OG1 THR A 7 -15.560 -7.712 -11.085 1.00 5.41 O ATOM 88 CG2 THR A 7 -13.162 -7.451 -11.188 1.00 10.33 C ATOM 0 H THR A 7 -12.494 -9.018 -13.242 1.00 31.41 H new ATOM 0 HA THR A 7 -15.389 -8.827 -13.457 1.00 35.31 H new ATOM 0 HB THR A 7 -14.239 -9.295 -11.290 1.00 54.51 H new ATOM 0 HG1 THR A 7 -15.352 -6.856 -10.655 1.00 5.41 H new ATOM 0 HG21 THR A 7 -13.122 -7.438 -10.099 1.00 10.33 H new ATOM 0 HG22 THR A 7 -12.248 -7.897 -11.580 1.00 10.33 H new ATOM 0 HG23 THR A 7 -13.256 -6.431 -11.560 1.00 10.33 H new ATOM 96 N GLN A 8 -15.649 -6.264 -13.640 1.00 3.23 N ATOM 97 CA GLN A 8 -15.850 -4.904 -14.114 1.00 50.02 C ATOM 98 C GLN A 8 -16.798 -4.176 -13.176 1.00 1.14 C ATOM 99 O GLN A 8 -17.696 -4.792 -12.607 1.00 72.35 O ATOM 100 CB GLN A 8 -16.427 -4.907 -15.537 1.00 43.14 C ATOM 101 CG GLN A 8 -15.389 -5.124 -16.627 1.00 33.25 C ATOM 102 CD GLN A 8 -14.467 -3.931 -16.791 1.00 53.30 C ATOM 103 OE1 GLN A 8 -14.863 -2.788 -16.563 1.00 54.41 O ATOM 104 NE2 GLN A 8 -13.229 -4.184 -17.178 1.00 54.35 N ATOM 0 H GLN A 8 -16.479 -6.681 -13.220 1.00 3.23 H new ATOM 0 HA GLN A 8 -14.888 -4.392 -14.133 1.00 50.02 H new ATOM 0 HB2 GLN A 8 -17.183 -5.689 -15.609 1.00 43.14 H new ATOM 0 HB3 GLN A 8 -16.932 -3.958 -15.715 1.00 43.14 H new ATOM 0 HG2 GLN A 8 -14.797 -6.008 -16.391 1.00 33.25 H new ATOM 0 HG3 GLN A 8 -15.894 -5.322 -17.572 1.00 33.25 H new ATOM 0 HE21 GLN A 8 -12.937 -5.145 -17.358 1.00 54.35 H new ATOM 0 HE22 GLN A 8 -12.565 -3.419 -17.297 1.00 54.35 H new ATOM 113 N SER A 9 -16.607 -2.876 -13.023 1.00 52.14 N ATOM 114 CA SER A 9 -17.460 -2.077 -12.157 1.00 2.52 C ATOM 115 C SER A 9 -18.909 -2.123 -12.640 1.00 0.31 C ATOM 116 O SER A 9 -19.842 -2.126 -11.835 1.00 54.11 O ATOM 117 CB SER A 9 -16.947 -0.637 -12.115 1.00 33.54 C ATOM 118 OG SER A 9 -15.570 -0.610 -11.771 1.00 75.12 O ATOM 0 H SER A 9 -15.867 -2.350 -13.488 1.00 52.14 H new ATOM 0 HA SER A 9 -17.430 -2.490 -11.149 1.00 2.52 H new ATOM 0 HB2 SER A 9 -17.095 -0.164 -13.086 1.00 33.54 H new ATOM 0 HB3 SER A 9 -17.521 -0.061 -11.389 1.00 33.54 H new ATOM 0 HG SER A 9 -15.256 0.318 -11.750 1.00 75.12 H new ATOM 124 N GLN A 10 -19.088 -2.175 -13.956 1.00 65.43 N ATOM 125 CA GLN A 10 -20.416 -2.310 -14.542 1.00 50.30 C ATOM 126 C GLN A 10 -20.983 -3.699 -14.264 1.00 24.22 C ATOM 127 O GLN A 10 -22.176 -3.855 -14.018 1.00 13.03 O ATOM 128 CB GLN A 10 -20.369 -2.070 -16.052 1.00 3.51 C ATOM 129 CG GLN A 10 -19.833 -0.704 -16.439 1.00 31.21 C ATOM 130 CD GLN A 10 -20.615 0.428 -15.805 1.00 30.13 C ATOM 131 OE1 GLN A 10 -20.294 0.882 -14.710 1.00 43.14 O ATOM 132 NE2 GLN A 10 -21.647 0.891 -16.492 1.00 21.05 N ATOM 0 H GLN A 10 -18.330 -2.126 -14.637 1.00 65.43 H new ATOM 0 HA GLN A 10 -21.062 -1.561 -14.085 1.00 50.30 H new ATOM 0 HB2 GLN A 10 -19.748 -2.838 -16.513 1.00 3.51 H new ATOM 0 HB3 GLN A 10 -21.373 -2.185 -16.460 1.00 3.51 H new ATOM 0 HG2 GLN A 10 -18.787 -0.630 -16.141 1.00 31.21 H new ATOM 0 HG3 GLN A 10 -19.864 -0.599 -17.524 1.00 31.21 H new ATOM 0 HE21 GLN A 10 -21.880 0.485 -17.398 1.00 21.05 H new ATOM 0 HE22 GLN A 10 -22.210 1.654 -16.115 1.00 21.05 H new ATOM 141 N LEU A 11 -20.114 -4.702 -14.298 1.00 1.21 N ATOM 142 CA LEU A 11 -20.519 -6.081 -14.040 1.00 12.41 C ATOM 143 C LEU A 11 -20.931 -6.242 -12.580 1.00 54.11 C ATOM 144 O LEU A 11 -21.971 -6.825 -12.278 1.00 71.13 O ATOM 145 CB LEU A 11 -19.376 -7.042 -14.377 1.00 53.43 C ATOM 146 CG LEU A 11 -19.683 -8.528 -14.168 1.00 4.24 C ATOM 147 CD1 LEU A 11 -20.813 -8.982 -15.079 1.00 55.21 C ATOM 148 CD2 LEU A 11 -18.436 -9.364 -14.406 1.00 61.15 C ATOM 0 H LEU A 11 -19.121 -4.587 -14.502 1.00 1.21 H new ATOM 0 HA LEU A 11 -21.373 -6.320 -14.674 1.00 12.41 H new ATOM 0 HB2 LEU A 11 -19.092 -6.890 -15.418 1.00 53.43 H new ATOM 0 HB3 LEU A 11 -18.511 -6.778 -13.769 1.00 53.43 H new ATOM 0 HG LEU A 11 -20.004 -8.669 -13.136 1.00 4.24 H new ATOM 0 HD11 LEU A 11 -21.012 -10.041 -14.912 1.00 55.21 H new ATOM 0 HD12 LEU A 11 -21.711 -8.405 -14.860 1.00 55.21 H new ATOM 0 HD13 LEU A 11 -20.527 -8.827 -16.119 1.00 55.21 H new ATOM 0 HD21 LEU A 11 -18.670 -10.418 -14.254 1.00 61.15 H new ATOM 0 HD22 LEU A 11 -18.087 -9.214 -15.428 1.00 61.15 H new ATOM 0 HD23 LEU A 11 -17.656 -9.061 -13.708 1.00 61.15 H new ATOM 160 N GLU A 12 -20.110 -5.711 -11.686 1.00 14.13 N ATOM 161 CA GLU A 12 -20.403 -5.731 -10.260 1.00 13.33 C ATOM 162 C GLU A 12 -21.699 -4.988 -9.962 1.00 23.45 C ATOM 163 O GLU A 12 -22.525 -5.457 -9.179 1.00 35.24 O ATOM 164 CB GLU A 12 -19.246 -5.112 -9.482 1.00 72.23 C ATOM 165 CG GLU A 12 -17.984 -5.958 -9.510 1.00 2.41 C ATOM 166 CD GLU A 12 -16.772 -5.218 -8.992 1.00 74.31 C ATOM 167 OE1 GLU A 12 -16.836 -4.669 -7.876 1.00 23.41 O ATOM 168 OE2 GLU A 12 -15.741 -5.186 -9.703 1.00 33.12 O ATOM 0 H GLU A 12 -19.228 -5.257 -11.926 1.00 14.13 H new ATOM 0 HA GLU A 12 -20.527 -6.768 -9.947 1.00 13.33 H new ATOM 0 HB2 GLU A 12 -19.025 -4.128 -9.895 1.00 72.23 H new ATOM 0 HB3 GLU A 12 -19.552 -4.962 -8.447 1.00 72.23 H new ATOM 0 HG2 GLU A 12 -18.140 -6.855 -8.911 1.00 2.41 H new ATOM 0 HG3 GLU A 12 -17.794 -6.286 -10.532 1.00 2.41 H new ATOM 175 N LEU A 13 -21.877 -3.834 -10.599 1.00 24.43 N ATOM 176 CA LEU A 13 -23.115 -3.080 -10.478 1.00 1.43 C ATOM 177 C LEU A 13 -24.285 -3.931 -10.953 1.00 31.21 C ATOM 178 O LEU A 13 -25.309 -4.011 -10.283 1.00 4.34 O ATOM 179 CB LEU A 13 -23.019 -1.766 -11.275 1.00 73.45 C ATOM 180 CG LEU A 13 -24.304 -0.938 -11.383 1.00 63.21 C ATOM 181 CD1 LEU A 13 -23.968 0.545 -11.430 1.00 44.11 C ATOM 182 CD2 LEU A 13 -25.094 -1.328 -12.626 1.00 50.21 C ATOM 0 H LEU A 13 -21.178 -3.403 -11.204 1.00 24.43 H new ATOM 0 HA LEU A 13 -23.281 -2.823 -9.432 1.00 1.43 H new ATOM 0 HB2 LEU A 13 -22.250 -1.144 -10.817 1.00 73.45 H new ATOM 0 HB3 LEU A 13 -22.679 -2.002 -12.283 1.00 73.45 H new ATOM 0 HG LEU A 13 -24.916 -1.140 -10.504 1.00 63.21 H new ATOM 0 HD11 LEU A 13 -24.888 1.124 -11.507 1.00 44.11 H new ATOM 0 HD12 LEU A 13 -23.437 0.827 -10.521 1.00 44.11 H new ATOM 0 HD13 LEU A 13 -23.338 0.748 -12.296 1.00 44.11 H new ATOM 0 HD21 LEU A 13 -26.002 -0.728 -12.683 1.00 50.21 H new ATOM 0 HD22 LEU A 13 -24.486 -1.152 -13.514 1.00 50.21 H new ATOM 0 HD23 LEU A 13 -25.359 -2.384 -12.572 1.00 50.21 H new ATOM 194 N LEU A 14 -24.107 -4.593 -12.092 1.00 72.01 N ATOM 195 CA LEU A 14 -25.146 -5.446 -12.659 1.00 3.52 C ATOM 196 C LEU A 14 -25.549 -6.535 -11.666 1.00 71.02 C ATOM 197 O LEU A 14 -26.735 -6.750 -11.421 1.00 70.32 O ATOM 198 CB LEU A 14 -24.666 -6.078 -13.969 1.00 33.20 C ATOM 199 CG LEU A 14 -25.685 -6.972 -14.679 1.00 40.12 C ATOM 200 CD1 LEU A 14 -26.913 -6.170 -15.087 1.00 54.01 C ATOM 201 CD2 LEU A 14 -25.054 -7.634 -15.894 1.00 11.21 C ATOM 0 H LEU A 14 -23.249 -4.555 -12.643 1.00 72.01 H new ATOM 0 HA LEU A 14 -26.018 -4.827 -12.869 1.00 3.52 H new ATOM 0 HB2 LEU A 14 -24.371 -5.280 -14.651 1.00 33.20 H new ATOM 0 HB3 LEU A 14 -23.773 -6.667 -13.762 1.00 33.20 H new ATOM 0 HG LEU A 14 -26.001 -7.750 -13.984 1.00 40.12 H new ATOM 0 HD11 LEU A 14 -27.625 -6.825 -15.590 1.00 54.01 H new ATOM 0 HD12 LEU A 14 -27.379 -5.741 -14.200 1.00 54.01 H new ATOM 0 HD13 LEU A 14 -26.616 -5.369 -15.764 1.00 54.01 H new ATOM 0 HD21 LEU A 14 -25.792 -8.266 -16.388 1.00 11.21 H new ATOM 0 HD22 LEU A 14 -24.710 -6.867 -16.588 1.00 11.21 H new ATOM 0 HD23 LEU A 14 -24.207 -8.243 -15.578 1.00 11.21 H new ATOM 213 N ILE A 15 -24.553 -7.199 -11.085 1.00 13.25 N ATOM 214 CA ILE A 15 -24.793 -8.258 -10.109 1.00 24.23 C ATOM 215 C ILE A 15 -25.566 -7.726 -8.902 1.00 61.32 C ATOM 216 O ILE A 15 -26.572 -8.305 -8.498 1.00 75.31 O ATOM 217 CB ILE A 15 -23.466 -8.895 -9.630 1.00 33.14 C ATOM 218 CG1 ILE A 15 -22.724 -9.525 -10.811 1.00 70.34 C ATOM 219 CG2 ILE A 15 -23.725 -9.933 -8.543 1.00 52.02 C ATOM 220 CD1 ILE A 15 -21.359 -10.072 -10.452 1.00 63.52 C ATOM 0 H ILE A 15 -23.567 -7.021 -11.275 1.00 13.25 H new ATOM 0 HA ILE A 15 -25.389 -9.023 -10.606 1.00 24.23 H new ATOM 0 HB ILE A 15 -22.841 -8.110 -9.205 1.00 33.14 H new ATOM 0 HG12 ILE A 15 -23.332 -10.331 -11.222 1.00 70.34 H new ATOM 0 HG13 ILE A 15 -22.611 -8.779 -11.597 1.00 70.34 H new ATOM 0 HG21 ILE A 15 -22.778 -10.367 -8.222 1.00 52.02 H new ATOM 0 HG22 ILE A 15 -24.212 -9.456 -7.693 1.00 52.02 H new ATOM 0 HG23 ILE A 15 -24.370 -10.719 -8.937 1.00 52.02 H new ATOM 0 HD11 ILE A 15 -20.895 -10.502 -11.339 1.00 63.52 H new ATOM 0 HD12 ILE A 15 -20.733 -9.266 -10.069 1.00 63.52 H new ATOM 0 HD13 ILE A 15 -21.465 -10.842 -9.688 1.00 63.52 H new ATOM 232 N ARG A 16 -25.109 -6.607 -8.349 1.00 32.24 N ATOM 233 CA ARG A 16 -25.712 -6.052 -7.141 1.00 15.30 C ATOM 234 C ARG A 16 -27.080 -5.435 -7.429 1.00 74.23 C ATOM 235 O ARG A 16 -27.938 -5.371 -6.549 1.00 15.23 O ATOM 236 CB ARG A 16 -24.788 -5.007 -6.508 1.00 23.14 C ATOM 237 CG ARG A 16 -25.177 -4.632 -5.084 1.00 71.35 C ATOM 238 CD ARG A 16 -25.037 -5.818 -4.137 1.00 63.11 C ATOM 239 NE ARG A 16 -25.476 -5.495 -2.779 1.00 73.55 N ATOM 240 CZ ARG A 16 -24.848 -5.894 -1.674 1.00 72.42 C ATOM 241 NH1 ARG A 16 -23.730 -6.601 -1.756 1.00 4.32 N ATOM 242 NH2 ARG A 16 -25.346 -5.579 -0.487 1.00 75.13 N ATOM 0 H ARG A 16 -24.325 -6.067 -8.716 1.00 32.24 H new ATOM 0 HA ARG A 16 -25.853 -6.874 -6.439 1.00 15.30 H new ATOM 0 HB2 ARG A 16 -23.767 -5.389 -6.508 1.00 23.14 H new ATOM 0 HB3 ARG A 16 -24.792 -4.109 -7.125 1.00 23.14 H new ATOM 0 HG2 ARG A 16 -24.548 -3.812 -4.738 1.00 71.35 H new ATOM 0 HG3 ARG A 16 -26.206 -4.273 -5.069 1.00 71.35 H new ATOM 0 HD2 ARG A 16 -25.622 -6.655 -4.517 1.00 63.11 H new ATOM 0 HD3 ARG A 16 -23.996 -6.141 -4.113 1.00 63.11 H new ATOM 0 HE ARG A 16 -26.317 -4.928 -2.672 1.00 73.55 H new ATOM 0 HH11 ARG A 16 -23.345 -6.843 -2.669 1.00 4.32 H new ATOM 0 HH12 ARG A 16 -23.254 -6.903 -0.906 1.00 4.32 H new ATOM 0 HH21 ARG A 16 -26.206 -5.034 -0.423 1.00 75.13 H new ATOM 0 HH22 ARG A 16 -24.870 -5.882 0.363 1.00 75.13 H new ATOM 256 N ASN A 17 -27.283 -4.970 -8.656 1.00 21.01 N ATOM 257 CA ASN A 17 -28.567 -4.388 -9.036 1.00 71.44 C ATOM 258 C ASN A 17 -29.583 -5.483 -9.331 1.00 24.13 C ATOM 259 O ASN A 17 -30.759 -5.353 -8.995 1.00 64.41 O ATOM 260 CB ASN A 17 -28.434 -3.460 -10.251 1.00 22.11 C ATOM 261 CG ASN A 17 -27.852 -2.094 -9.905 1.00 54.33 C ATOM 262 OD1 ASN A 17 -26.904 -2.053 -8.980 1.00 70.12 O flip ATOM 263 ND2 ASN A 17 -28.236 -1.083 -10.491 1.00 64.22 N flip ATOM 0 H ASN A 17 -26.584 -4.983 -9.399 1.00 21.01 H new ATOM 0 HA ASN A 17 -28.914 -3.791 -8.193 1.00 71.44 H new ATOM 0 HB2 ASN A 17 -27.800 -3.939 -10.998 1.00 22.11 H new ATOM 0 HB3 ASN A 17 -29.415 -3.325 -10.705 1.00 22.11 H new ATOM 0 HD21 ASN A 17 -28.968 -1.150 -11.198 1.00 64.22 H new ATOM 0 HD22 ASN A 17 -27.822 -0.177 -10.270 1.00 64.22 H new ATOM 270 N ALA A 18 -29.126 -6.561 -9.956 1.00 24.13 N ATOM 271 CA ALA A 18 -29.993 -7.693 -10.250 1.00 52.44 C ATOM 272 C ALA A 18 -30.293 -8.477 -8.980 1.00 63.32 C ATOM 273 O ALA A 18 -31.419 -8.930 -8.763 1.00 53.11 O ATOM 274 CB ALA A 18 -29.358 -8.595 -11.297 1.00 44.34 C ATOM 0 H ALA A 18 -28.162 -6.674 -10.268 1.00 24.13 H new ATOM 0 HA ALA A 18 -30.933 -7.312 -10.650 1.00 52.44 H new ATOM 0 HB1 ALA A 18 -30.021 -9.435 -11.503 1.00 44.34 H new ATOM 0 HB2 ALA A 18 -29.194 -8.029 -12.214 1.00 44.34 H new ATOM 0 HB3 ALA A 18 -28.404 -8.968 -10.925 1.00 44.34 H new ATOM 280 N PHE A 19 -29.281 -8.634 -8.140 1.00 32.44 N ATOM 281 CA PHE A 19 -29.439 -9.341 -6.879 1.00 64.45 C ATOM 282 C PHE A 19 -28.888 -8.514 -5.724 1.00 11.13 C ATOM 283 O PHE A 19 -27.715 -8.628 -5.370 1.00 74.13 O ATOM 284 CB PHE A 19 -28.738 -10.703 -6.923 1.00 5.30 C ATOM 285 CG PHE A 19 -29.281 -11.636 -7.969 1.00 32.32 C ATOM 286 CD1 PHE A 19 -30.451 -12.344 -7.744 1.00 44.11 C ATOM 287 CD2 PHE A 19 -28.621 -11.804 -9.177 1.00 21.44 C ATOM 288 CE1 PHE A 19 -30.955 -13.199 -8.707 1.00 53.12 C ATOM 289 CE2 PHE A 19 -29.121 -12.658 -10.142 1.00 21.41 C ATOM 290 CZ PHE A 19 -30.289 -13.357 -9.906 1.00 4.25 C ATOM 0 H PHE A 19 -28.340 -8.280 -8.310 1.00 32.44 H new ATOM 0 HA PHE A 19 -30.505 -9.502 -6.721 1.00 64.45 H new ATOM 0 HB2 PHE A 19 -27.675 -10.547 -7.106 1.00 5.30 H new ATOM 0 HB3 PHE A 19 -28.827 -11.178 -5.946 1.00 5.30 H new ATOM 0 HD1 PHE A 19 -30.975 -12.227 -6.807 1.00 44.11 H new ATOM 0 HD2 PHE A 19 -27.706 -11.262 -9.366 1.00 21.44 H new ATOM 0 HE1 PHE A 19 -31.869 -13.743 -8.521 1.00 53.12 H new ATOM 0 HE2 PHE A 19 -28.599 -12.779 -11.080 1.00 21.41 H new ATOM 0 HZ PHE A 19 -30.680 -14.026 -10.658 1.00 4.25 H new ATOM 300 N PRO A 20 -29.731 -7.656 -5.125 1.00 74.32 N ATOM 301 CA PRO A 20 -29.349 -6.860 -3.955 1.00 62.04 C ATOM 302 C PRO A 20 -29.324 -7.714 -2.695 1.00 53.13 C ATOM 303 O PRO A 20 -28.963 -7.252 -1.609 1.00 3.14 O ATOM 304 CB PRO A 20 -30.453 -5.806 -3.872 1.00 73.25 C ATOM 305 CG PRO A 20 -31.645 -6.464 -4.477 1.00 43.34 C ATOM 306 CD PRO A 20 -31.119 -7.385 -5.548 1.00 54.10 C ATOM 0 HA PRO A 20 -28.350 -6.432 -4.042 1.00 62.04 H new ATOM 0 HB2 PRO A 20 -30.644 -5.512 -2.840 1.00 73.25 H new ATOM 0 HB3 PRO A 20 -30.180 -4.902 -4.416 1.00 73.25 H new ATOM 0 HG2 PRO A 20 -32.205 -7.021 -3.726 1.00 43.34 H new ATOM 0 HG3 PRO A 20 -32.325 -5.725 -4.899 1.00 43.34 H new ATOM 0 HD2 PRO A 20 -31.705 -8.302 -5.611 1.00 54.10 H new ATOM 0 HD3 PRO A 20 -31.154 -6.917 -6.532 1.00 54.10 H new ATOM 314 N GLU A 21 -29.718 -8.969 -2.868 1.00 43.25 N ATOM 315 CA GLU A 21 -29.756 -9.940 -1.789 1.00 14.45 C ATOM 316 C GLU A 21 -28.514 -10.823 -1.852 1.00 61.52 C ATOM 317 O GLU A 21 -28.457 -11.884 -1.229 1.00 44.12 O ATOM 318 CB GLU A 21 -31.009 -10.814 -1.921 1.00 73.54 C ATOM 319 CG GLU A 21 -32.295 -10.027 -2.127 1.00 25.00 C ATOM 320 CD GLU A 21 -32.596 -9.084 -0.984 1.00 21.25 C ATOM 321 OE1 GLU A 21 -32.947 -9.564 0.114 1.00 31.02 O ATOM 322 OE2 GLU A 21 -32.500 -7.856 -1.179 1.00 2.14 O ATOM 0 H GLU A 21 -30.022 -9.341 -3.768 1.00 43.25 H new ATOM 0 HA GLU A 21 -29.782 -9.414 -0.835 1.00 14.45 H new ATOM 0 HB2 GLU A 21 -30.876 -11.498 -2.759 1.00 73.54 H new ATOM 0 HB3 GLU A 21 -31.109 -11.425 -1.024 1.00 73.54 H new ATOM 0 HG2 GLU A 21 -32.222 -9.456 -3.053 1.00 25.00 H new ATOM 0 HG3 GLU A 21 -33.126 -10.723 -2.246 1.00 25.00 H new ATOM 329 N ALA A 22 -27.529 -10.383 -2.624 1.00 13.31 N ATOM 330 CA ALA A 22 -26.317 -11.156 -2.833 1.00 45.34 C ATOM 331 C ALA A 22 -25.078 -10.294 -2.647 1.00 74.40 C ATOM 332 O ALA A 22 -25.045 -9.139 -3.076 1.00 53.45 O ATOM 333 CB ALA A 22 -26.319 -11.770 -4.225 1.00 43.43 C ATOM 0 H ALA A 22 -27.548 -9.490 -3.117 1.00 13.31 H new ATOM 0 HA ALA A 22 -26.293 -11.953 -2.090 1.00 45.34 H new ATOM 0 HB1 ALA A 22 -25.406 -12.347 -4.370 1.00 43.43 H new ATOM 0 HB2 ALA A 22 -27.183 -12.426 -4.332 1.00 43.43 H new ATOM 0 HB3 ALA A 22 -26.370 -10.978 -4.972 1.00 43.43 H new ATOM 339 N GLU A 23 -24.067 -10.853 -2.000 1.00 31.23 N ATOM 340 CA GLU A 23 -22.813 -10.149 -1.807 1.00 5.24 C ATOM 341 C GLU A 23 -21.791 -10.597 -2.848 1.00 11.04 C ATOM 342 O GLU A 23 -21.690 -11.783 -3.165 1.00 5.32 O ATOM 343 CB GLU A 23 -22.280 -10.375 -0.390 1.00 2.23 C ATOM 344 CG GLU A 23 -21.097 -9.485 -0.047 1.00 32.11 C ATOM 345 CD GLU A 23 -21.358 -8.031 -0.389 1.00 53.32 C ATOM 346 OE1 GLU A 23 -22.130 -7.366 0.335 1.00 2.10 O ATOM 347 OE2 GLU A 23 -20.805 -7.546 -1.397 1.00 74.04 O ATOM 0 H GLU A 23 -24.092 -11.791 -1.601 1.00 31.23 H new ATOM 0 HA GLU A 23 -22.990 -9.081 -1.934 1.00 5.24 H new ATOM 0 HB2 GLU A 23 -23.082 -10.195 0.326 1.00 2.23 H new ATOM 0 HB3 GLU A 23 -21.985 -11.419 -0.282 1.00 2.23 H new ATOM 0 HG2 GLU A 23 -20.875 -9.572 1.017 1.00 32.11 H new ATOM 0 HG3 GLU A 23 -20.215 -9.831 -0.586 1.00 32.11 H new ATOM 354 N ILE A 24 -21.048 -9.633 -3.376 1.00 13.41 N ATOM 355 CA ILE A 24 -20.098 -9.882 -4.452 1.00 74.24 C ATOM 356 C ILE A 24 -18.664 -9.795 -3.941 1.00 61.32 C ATOM 357 O ILE A 24 -18.230 -8.739 -3.480 1.00 75.31 O ATOM 358 CB ILE A 24 -20.264 -8.841 -5.574 1.00 14.12 C ATOM 359 CG1 ILE A 24 -21.745 -8.613 -5.875 1.00 72.34 C ATOM 360 CG2 ILE A 24 -19.524 -9.292 -6.828 1.00 42.15 C ATOM 361 CD1 ILE A 24 -22.000 -7.399 -6.735 1.00 33.11 C ATOM 0 H ILE A 24 -21.087 -8.660 -3.072 1.00 13.41 H new ATOM 0 HA ILE A 24 -20.298 -10.883 -4.834 1.00 74.24 H new ATOM 0 HB ILE A 24 -19.833 -7.897 -5.240 1.00 14.12 H new ATOM 0 HG12 ILE A 24 -22.147 -9.494 -6.375 1.00 72.34 H new ATOM 0 HG13 ILE A 24 -22.287 -8.504 -4.936 1.00 72.34 H new ATOM 0 HG21 ILE A 24 -19.650 -8.546 -7.613 1.00 42.15 H new ATOM 0 HG22 ILE A 24 -18.464 -9.407 -6.603 1.00 42.15 H new ATOM 0 HG23 ILE A 24 -19.928 -10.246 -7.166 1.00 42.15 H new ATOM 0 HD11 ILE A 24 -23.071 -7.296 -6.910 1.00 33.11 H new ATOM 0 HD12 ILE A 24 -21.628 -6.509 -6.228 1.00 33.11 H new ATOM 0 HD13 ILE A 24 -21.486 -7.514 -7.689 1.00 33.11 H new ATOM 373 N THR A 25 -17.929 -10.892 -4.023 1.00 14.02 N ATOM 374 CA THR A 25 -16.520 -10.873 -3.677 1.00 54.43 C ATOM 375 C THR A 25 -15.682 -11.333 -4.866 1.00 60.33 C ATOM 376 O THR A 25 -15.884 -12.429 -5.394 1.00 24.53 O ATOM 377 CB THR A 25 -16.211 -11.772 -2.463 1.00 3.22 C ATOM 378 OG1 THR A 25 -17.142 -11.523 -1.400 1.00 13.51 O ATOM 379 CG2 THR A 25 -14.796 -11.529 -1.960 1.00 30.53 C ATOM 0 H THR A 25 -18.283 -11.800 -4.324 1.00 14.02 H new ATOM 0 HA THR A 25 -16.267 -9.846 -3.413 1.00 54.43 H new ATOM 0 HB THR A 25 -16.303 -12.809 -2.785 1.00 3.22 H new ATOM 0 HG1 THR A 25 -16.682 -11.074 -0.661 1.00 13.51 H new ATOM 0 HG21 THR A 25 -14.599 -12.173 -1.103 1.00 30.53 H new ATOM 0 HG22 THR A 25 -14.084 -11.753 -2.754 1.00 30.53 H new ATOM 0 HG23 THR A 25 -14.690 -10.486 -1.662 1.00 30.53 H new ATOM 387 N VAL A 26 -14.749 -10.494 -5.292 1.00 74.44 N ATOM 388 CA VAL A 26 -13.884 -10.831 -6.410 1.00 13.43 C ATOM 389 C VAL A 26 -12.712 -11.690 -5.943 1.00 70.34 C ATOM 390 O VAL A 26 -11.820 -11.230 -5.230 1.00 52.34 O ATOM 391 CB VAL A 26 -13.373 -9.565 -7.142 1.00 24.42 C ATOM 392 CG1 VAL A 26 -14.510 -8.907 -7.908 1.00 41.35 C ATOM 393 CG2 VAL A 26 -12.758 -8.569 -6.163 1.00 35.24 C ATOM 0 H VAL A 26 -14.573 -9.577 -4.881 1.00 74.44 H new ATOM 0 HA VAL A 26 -14.477 -11.405 -7.122 1.00 13.43 H new ATOM 0 HB VAL A 26 -12.598 -9.873 -7.843 1.00 24.42 H new ATOM 0 HG11 VAL A 26 -14.139 -8.018 -8.418 1.00 41.35 H new ATOM 0 HG12 VAL A 26 -14.907 -9.608 -8.642 1.00 41.35 H new ATOM 0 HG13 VAL A 26 -15.300 -8.623 -7.213 1.00 41.35 H new ATOM 0 HG21 VAL A 26 -12.409 -7.692 -6.708 1.00 35.24 H new ATOM 0 HG22 VAL A 26 -13.508 -8.267 -5.432 1.00 35.24 H new ATOM 0 HG23 VAL A 26 -11.917 -9.035 -5.649 1.00 35.24 H new ATOM 403 N THR A 27 -12.731 -12.950 -6.344 1.00 53.51 N ATOM 404 CA THR A 27 -11.747 -13.913 -5.888 1.00 3.34 C ATOM 405 C THR A 27 -10.585 -14.016 -6.868 1.00 43.20 C ATOM 406 O THR A 27 -10.781 -14.225 -8.069 1.00 52.12 O ATOM 407 CB THR A 27 -12.394 -15.298 -5.702 1.00 60.22 C ATOM 408 OG1 THR A 27 -13.572 -15.165 -4.896 1.00 55.14 O ATOM 409 CG2 THR A 27 -11.430 -16.273 -5.040 1.00 63.14 C ATOM 0 H THR A 27 -13.423 -13.330 -6.989 1.00 53.51 H new ATOM 0 HA THR A 27 -11.362 -13.566 -4.929 1.00 3.34 H new ATOM 0 HB THR A 27 -12.654 -15.692 -6.684 1.00 60.22 H new ATOM 0 HG1 THR A 27 -13.884 -16.053 -4.624 1.00 55.14 H new ATOM 0 HG21 THR A 27 -11.916 -17.242 -4.922 1.00 63.14 H new ATOM 0 HG22 THR A 27 -10.542 -16.386 -5.662 1.00 63.14 H new ATOM 0 HG23 THR A 27 -11.141 -15.891 -4.061 1.00 63.14 H new ATOM 417 N SER A 28 -9.379 -13.862 -6.347 1.00 23.54 N ATOM 418 CA SER A 28 -8.175 -13.918 -7.153 1.00 22.03 C ATOM 419 C SER A 28 -7.705 -15.359 -7.334 1.00 14.30 C ATOM 420 O SER A 28 -7.266 -16.003 -6.382 1.00 32.51 O ATOM 421 CB SER A 28 -7.085 -13.073 -6.494 1.00 23.21 C ATOM 422 OG SER A 28 -7.066 -13.282 -5.091 1.00 51.11 O ATOM 0 H SER A 28 -9.209 -13.695 -5.355 1.00 23.54 H new ATOM 0 HA SER A 28 -8.392 -13.516 -8.143 1.00 22.03 H new ATOM 0 HB2 SER A 28 -6.114 -13.329 -6.918 1.00 23.21 H new ATOM 0 HB3 SER A 28 -7.258 -12.018 -6.707 1.00 23.21 H new ATOM 0 HG SER A 28 -7.124 -14.242 -4.902 1.00 51.11 H new ATOM 428 N LEU A 29 -7.829 -15.869 -8.555 1.00 60.25 N ATOM 429 CA LEU A 29 -7.337 -17.203 -8.874 1.00 24.55 C ATOM 430 C LEU A 29 -5.823 -17.182 -9.037 1.00 12.10 C ATOM 431 O LEU A 29 -5.110 -17.976 -8.427 1.00 65.12 O ATOM 432 CB LEU A 29 -7.996 -17.725 -10.152 1.00 52.33 C ATOM 433 CG LEU A 29 -9.493 -18.014 -10.040 1.00 2.03 C ATOM 434 CD1 LEU A 29 -10.054 -18.439 -11.388 1.00 71.35 C ATOM 435 CD2 LEU A 29 -9.749 -19.088 -8.993 1.00 60.32 C ATOM 0 H LEU A 29 -8.265 -15.380 -9.337 1.00 60.25 H new ATOM 0 HA LEU A 29 -7.593 -17.871 -8.052 1.00 24.55 H new ATOM 0 HB2 LEU A 29 -7.842 -16.994 -10.946 1.00 52.33 H new ATOM 0 HB3 LEU A 29 -7.487 -18.640 -10.457 1.00 52.33 H new ATOM 0 HG LEU A 29 -10.000 -17.101 -9.728 1.00 2.03 H new ATOM 0 HD11 LEU A 29 -11.121 -18.641 -11.291 1.00 71.35 H new ATOM 0 HD12 LEU A 29 -9.901 -17.641 -12.114 1.00 71.35 H new ATOM 0 HD13 LEU A 29 -9.543 -19.340 -11.727 1.00 71.35 H new ATOM 0 HD21 LEU A 29 -10.819 -19.282 -8.925 1.00 60.32 H new ATOM 0 HD22 LEU A 29 -9.231 -20.004 -9.277 1.00 60.32 H new ATOM 0 HD23 LEU A 29 -9.380 -18.748 -8.025 1.00 60.32 H new ATOM 447 N VAL A 30 -5.345 -16.273 -9.872 1.00 4.40 N ATOM 448 CA VAL A 30 -3.914 -16.095 -10.062 1.00 1.44 C ATOM 449 C VAL A 30 -3.510 -14.662 -9.716 1.00 64.14 C ATOM 450 O VAL A 30 -2.355 -14.387 -9.390 1.00 15.34 O ATOM 451 CB VAL A 30 -3.496 -16.434 -11.515 1.00 71.32 C ATOM 452 CG1 VAL A 30 -4.143 -15.483 -12.512 1.00 52.04 C ATOM 453 CG2 VAL A 30 -1.982 -16.424 -11.668 1.00 30.41 C ATOM 0 H VAL A 30 -5.927 -15.647 -10.429 1.00 4.40 H new ATOM 0 HA VAL A 30 -3.396 -16.782 -9.393 1.00 1.44 H new ATOM 0 HB VAL A 30 -3.852 -17.441 -11.731 1.00 71.32 H new ATOM 0 HG11 VAL A 30 -3.830 -15.747 -13.522 1.00 52.04 H new ATOM 0 HG12 VAL A 30 -5.228 -15.559 -12.436 1.00 52.04 H new ATOM 0 HG13 VAL A 30 -3.835 -14.461 -12.292 1.00 52.04 H new ATOM 0 HG21 VAL A 30 -1.719 -16.665 -12.698 1.00 30.41 H new ATOM 0 HG22 VAL A 30 -1.597 -15.435 -11.417 1.00 30.41 H new ATOM 0 HG23 VAL A 30 -1.544 -17.164 -10.999 1.00 30.41 H new ATOM 463 N GLY A 31 -4.478 -13.757 -9.767 1.00 42.32 N ATOM 464 CA GLY A 31 -4.206 -12.363 -9.493 1.00 63.24 C ATOM 465 C GLY A 31 -4.232 -11.535 -10.757 1.00 24.53 C ATOM 466 O GLY A 31 -4.646 -10.378 -10.745 1.00 24.33 O ATOM 0 H GLY A 31 -5.450 -13.966 -9.994 1.00 42.32 H new ATOM 0 HA2 GLY A 31 -4.945 -11.978 -8.790 1.00 63.24 H new ATOM 0 HA3 GLY A 31 -3.231 -12.269 -9.015 1.00 63.24 H new ATOM 470 N ASP A 32 -3.797 -12.142 -11.852 1.00 54.21 N ATOM 471 CA ASP A 32 -3.797 -11.482 -13.150 1.00 24.22 C ATOM 472 C ASP A 32 -5.219 -11.352 -13.689 1.00 21.34 C ATOM 473 O ASP A 32 -6.093 -12.151 -13.346 1.00 50.54 O ATOM 474 CB ASP A 32 -2.930 -12.265 -14.132 1.00 33.31 C ATOM 475 CG ASP A 32 -2.787 -11.561 -15.461 1.00 63.05 C ATOM 476 OD1 ASP A 32 -1.944 -10.647 -15.560 1.00 71.24 O ATOM 477 OD2 ASP A 32 -3.513 -11.921 -16.406 1.00 1.50 O ATOM 0 H ASP A 32 -3.437 -13.096 -11.867 1.00 54.21 H new ATOM 0 HA ASP A 32 -3.384 -10.480 -13.030 1.00 24.22 H new ATOM 0 HB2 ASP A 32 -1.942 -12.419 -13.697 1.00 33.31 H new ATOM 0 HB3 ASP A 32 -3.366 -13.251 -14.291 1.00 33.31 H new ATOM 482 N ASN A 33 -5.437 -10.350 -14.539 1.00 11.01 N ATOM 483 CA ASN A 33 -6.772 -10.029 -15.050 1.00 33.31 C ATOM 484 C ASN A 33 -7.329 -11.123 -15.960 1.00 73.15 C ATOM 485 O ASN A 33 -8.526 -11.145 -16.240 1.00 35.41 O ATOM 486 CB ASN A 33 -6.756 -8.709 -15.830 1.00 23.21 C ATOM 487 CG ASN A 33 -6.345 -7.502 -15.001 1.00 63.34 C ATOM 488 OD1 ASN A 33 -5.793 -6.539 -15.534 1.00 61.15 O ATOM 489 ND2 ASN A 33 -6.592 -7.540 -13.700 1.00 30.04 N ATOM 0 H ASN A 33 -4.700 -9.740 -14.892 1.00 11.01 H new ATOM 0 HA ASN A 33 -7.417 -9.943 -14.176 1.00 33.31 H new ATOM 0 HB2 ASN A 33 -6.073 -8.806 -16.674 1.00 23.21 H new ATOM 0 HB3 ASN A 33 -7.749 -8.531 -16.243 1.00 23.21 H new ATOM 0 HD21 ASN A 33 -6.323 -6.755 -13.107 1.00 30.04 H new ATOM 0 HD22 ASN A 33 -7.051 -8.354 -13.292 1.00 30.04 H new ATOM 496 N ASN A 34 -6.468 -12.021 -16.427 1.00 61.41 N ATOM 497 CA ASN A 34 -6.881 -13.039 -17.390 1.00 4.13 C ATOM 498 C ASN A 34 -7.977 -13.957 -16.853 1.00 1.44 C ATOM 499 O ASN A 34 -8.837 -14.391 -17.618 1.00 40.12 O ATOM 500 CB ASN A 34 -5.686 -13.863 -17.871 1.00 53.13 C ATOM 501 CG ASN A 34 -4.997 -13.233 -19.068 1.00 60.20 C ATOM 502 OD1 ASN A 34 -4.967 -12.011 -19.217 1.00 22.32 O ATOM 503 ND2 ASN A 34 -4.441 -14.065 -19.936 1.00 24.41 N ATOM 0 H ASN A 34 -5.485 -12.066 -16.157 1.00 61.41 H new ATOM 0 HA ASN A 34 -7.303 -12.499 -18.238 1.00 4.13 H new ATOM 0 HB2 ASN A 34 -4.969 -13.970 -17.057 1.00 53.13 H new ATOM 0 HB3 ASN A 34 -6.021 -14.866 -18.134 1.00 53.13 H new ATOM 0 HD21 ASN A 34 -3.967 -13.699 -20.762 1.00 24.41 H new ATOM 0 HD22 ASN A 34 -4.486 -15.072 -19.778 1.00 24.41 H new ATOM 510 N HIS A 35 -7.970 -14.257 -15.555 1.00 11.54 N ATOM 511 CA HIS A 35 -9.027 -15.100 -14.995 1.00 21.41 C ATOM 512 C HIS A 35 -9.202 -14.906 -13.487 1.00 54.15 C ATOM 513 O HIS A 35 -8.248 -15.003 -12.710 1.00 54.44 O ATOM 514 CB HIS A 35 -8.811 -16.589 -15.344 1.00 25.33 C ATOM 515 CG HIS A 35 -7.566 -17.217 -14.781 1.00 13.33 C ATOM 516 ND1 HIS A 35 -7.348 -17.834 -13.596 1.00 35.21 N flip ATOM 517 CD2 HIS A 35 -6.377 -17.307 -15.477 1.00 50.13 C flip ATOM 518 CE1 HIS A 35 -6.051 -18.276 -13.596 1.00 24.43 C flip ATOM 519 NE2 HIS A 35 -5.486 -17.947 -14.740 1.00 23.03 N flip ATOM 0 H HIS A 35 -7.267 -13.940 -14.887 1.00 11.54 H new ATOM 0 HA HIS A 35 -9.956 -14.775 -15.463 1.00 21.41 H new ATOM 0 HB2 HIS A 35 -9.673 -17.155 -14.990 1.00 25.33 H new ATOM 0 HB3 HIS A 35 -8.787 -16.689 -16.429 1.00 25.33 H new ATOM 0 HD2 HIS A 35 -6.202 -16.916 -16.468 1.00 50.13 H new ATOM 0 HE1 HIS A 35 -5.570 -18.808 -12.789 1.00 24.43 H new ATOM 0 HE2 HIS A 35 -4.524 -18.152 -15.011 1.00 23.03 H new ATOM 528 N TYR A 36 -10.440 -14.618 -13.099 1.00 43.33 N ATOM 529 CA TYR A 36 -10.833 -14.511 -11.698 1.00 71.31 C ATOM 530 C TYR A 36 -12.061 -15.375 -11.441 1.00 40.50 C ATOM 531 O TYR A 36 -12.631 -15.951 -12.367 1.00 24.43 O ATOM 532 CB TYR A 36 -11.188 -13.069 -11.322 1.00 22.12 C ATOM 533 CG TYR A 36 -10.049 -12.079 -11.378 1.00 15.02 C ATOM 534 CD1 TYR A 36 -9.111 -12.006 -10.357 1.00 41.21 C ATOM 535 CD2 TYR A 36 -9.938 -11.191 -12.436 1.00 43.30 C ATOM 536 CE1 TYR A 36 -8.091 -11.074 -10.392 1.00 62.32 C ATOM 537 CE2 TYR A 36 -8.920 -10.262 -12.482 1.00 62.54 C ATOM 538 CZ TYR A 36 -8.002 -10.205 -11.457 1.00 1.54 C ATOM 539 OH TYR A 36 -6.993 -9.271 -11.496 1.00 12.31 O ATOM 0 H TYR A 36 -11.205 -14.451 -13.753 1.00 43.33 H new ATOM 0 HA TYR A 36 -9.987 -14.842 -11.097 1.00 71.31 H new ATOM 0 HB2 TYR A 36 -11.979 -12.723 -11.988 1.00 22.12 H new ATOM 0 HB3 TYR A 36 -11.598 -13.067 -10.312 1.00 22.12 H new ATOM 0 HD1 TYR A 36 -9.179 -12.688 -9.522 1.00 41.21 H new ATOM 0 HD2 TYR A 36 -10.661 -11.227 -13.238 1.00 43.30 H new ATOM 0 HE1 TYR A 36 -7.369 -11.027 -9.590 1.00 62.32 H new ATOM 0 HE2 TYR A 36 -8.843 -9.582 -13.318 1.00 62.54 H new ATOM 0 HH TYR A 36 -6.153 -9.684 -11.205 1.00 12.31 H new ATOM 549 N SER A 37 -12.461 -15.470 -10.184 1.00 2.23 N ATOM 550 CA SER A 37 -13.721 -16.103 -9.834 1.00 21.11 C ATOM 551 C SER A 37 -14.605 -15.118 -9.081 1.00 62.15 C ATOM 552 O SER A 37 -14.128 -14.365 -8.231 1.00 50.13 O ATOM 553 CB SER A 37 -13.486 -17.355 -8.989 1.00 62.23 C ATOM 554 OG SER A 37 -12.774 -18.332 -9.722 1.00 63.00 O ATOM 0 H SER A 37 -11.930 -15.116 -9.388 1.00 2.23 H new ATOM 0 HA SER A 37 -14.223 -16.404 -10.754 1.00 21.11 H new ATOM 0 HB2 SER A 37 -12.929 -17.092 -8.089 1.00 62.23 H new ATOM 0 HB3 SER A 37 -14.443 -17.764 -8.664 1.00 62.23 H new ATOM 0 HG SER A 37 -13.405 -18.970 -10.115 1.00 63.00 H new ATOM 560 N ILE A 38 -15.885 -15.111 -9.403 1.00 34.53 N ATOM 561 CA ILE A 38 -16.817 -14.213 -8.750 1.00 12.35 C ATOM 562 C ILE A 38 -17.583 -14.957 -7.668 1.00 21.51 C ATOM 563 O ILE A 38 -18.314 -15.905 -7.954 1.00 24.12 O ATOM 564 CB ILE A 38 -17.813 -13.596 -9.755 1.00 73.40 C ATOM 565 CG1 ILE A 38 -17.057 -12.855 -10.864 1.00 24.33 C ATOM 566 CG2 ILE A 38 -18.777 -12.657 -9.038 1.00 23.22 C ATOM 567 CD1 ILE A 38 -17.959 -12.285 -11.936 1.00 24.22 C ATOM 0 H ILE A 38 -16.302 -15.716 -10.111 1.00 34.53 H new ATOM 0 HA ILE A 38 -16.239 -13.403 -8.305 1.00 12.35 H new ATOM 0 HB ILE A 38 -18.393 -14.398 -10.211 1.00 73.40 H new ATOM 0 HG12 ILE A 38 -16.479 -12.045 -10.419 1.00 24.33 H new ATOM 0 HG13 ILE A 38 -16.345 -13.539 -11.326 1.00 24.33 H new ATOM 0 HG21 ILE A 38 -19.473 -12.230 -9.760 1.00 23.22 H new ATOM 0 HG22 ILE A 38 -19.333 -13.213 -8.283 1.00 23.22 H new ATOM 0 HG23 ILE A 38 -18.215 -11.856 -8.558 1.00 23.22 H new ATOM 0 HD11 ILE A 38 -17.355 -11.775 -12.687 1.00 24.22 H new ATOM 0 HD12 ILE A 38 -18.519 -13.093 -12.408 1.00 24.22 H new ATOM 0 HD13 ILE A 38 -18.654 -11.576 -11.487 1.00 24.22 H new ATOM 579 N LYS A 39 -17.383 -14.550 -6.424 1.00 62.41 N ATOM 580 CA LYS A 39 -18.091 -15.156 -5.312 1.00 70.34 C ATOM 581 C LYS A 39 -19.405 -14.427 -5.080 1.00 25.51 C ATOM 582 O LYS A 39 -19.427 -13.204 -4.924 1.00 73.43 O ATOM 583 CB LYS A 39 -17.253 -15.118 -4.033 1.00 35.52 C ATOM 584 CG LYS A 39 -17.905 -15.849 -2.870 1.00 1.32 C ATOM 585 CD LYS A 39 -17.784 -15.066 -1.573 1.00 0.22 C ATOM 586 CE LYS A 39 -16.344 -14.935 -1.122 1.00 64.33 C ATOM 587 NZ LYS A 39 -16.222 -14.067 0.077 1.00 52.43 N ATOM 0 H LYS A 39 -16.738 -13.805 -6.162 1.00 62.41 H new ATOM 0 HA LYS A 39 -18.285 -16.199 -5.563 1.00 70.34 H new ATOM 0 HB2 LYS A 39 -16.277 -15.561 -4.232 1.00 35.52 H new ATOM 0 HB3 LYS A 39 -17.080 -14.080 -3.750 1.00 35.52 H new ATOM 0 HG2 LYS A 39 -18.958 -16.022 -3.093 1.00 1.32 H new ATOM 0 HG3 LYS A 39 -17.440 -16.827 -2.749 1.00 1.32 H new ATOM 0 HD2 LYS A 39 -18.214 -14.073 -1.707 1.00 0.22 H new ATOM 0 HD3 LYS A 39 -18.364 -15.562 -0.795 1.00 0.22 H new ATOM 0 HE2 LYS A 39 -15.941 -15.923 -0.899 1.00 64.33 H new ATOM 0 HE3 LYS A 39 -15.744 -14.522 -1.933 1.00 64.33 H new ATOM 0 HZ1 LYS A 39 -15.236 -14.068 0.408 1.00 52.43 H new ATOM 0 HZ2 LYS A 39 -16.504 -13.096 -0.167 1.00 52.43 H new ATOM 0 HZ3 LYS A 39 -16.840 -14.428 0.831 1.00 52.43 H new ATOM 601 N VAL A 40 -20.489 -15.181 -5.067 1.00 63.22 N ATOM 602 CA VAL A 40 -21.807 -14.626 -4.847 1.00 35.24 C ATOM 603 C VAL A 40 -22.446 -15.274 -3.625 1.00 33.00 C ATOM 604 O VAL A 40 -22.825 -16.451 -3.655 1.00 4.22 O ATOM 605 CB VAL A 40 -22.717 -14.830 -6.076 1.00 25.43 C ATOM 606 CG1 VAL A 40 -24.089 -14.226 -5.831 1.00 2.44 C ATOM 607 CG2 VAL A 40 -22.084 -14.231 -7.322 1.00 42.04 C ATOM 0 H VAL A 40 -20.478 -16.191 -5.208 1.00 63.22 H new ATOM 0 HA VAL A 40 -21.695 -13.555 -4.680 1.00 35.24 H new ATOM 0 HB VAL A 40 -22.836 -15.901 -6.237 1.00 25.43 H new ATOM 0 HG11 VAL A 40 -24.716 -14.380 -6.709 1.00 2.44 H new ATOM 0 HG12 VAL A 40 -24.549 -14.706 -4.967 1.00 2.44 H new ATOM 0 HG13 VAL A 40 -23.987 -13.158 -5.640 1.00 2.44 H new ATOM 0 HG21 VAL A 40 -22.743 -14.387 -8.176 1.00 42.04 H new ATOM 0 HG22 VAL A 40 -21.929 -13.162 -7.173 1.00 42.04 H new ATOM 0 HG23 VAL A 40 -21.125 -14.714 -7.511 1.00 42.04 H new ATOM 617 N ILE A 41 -22.533 -14.519 -2.543 1.00 54.23 N ATOM 618 CA ILE A 41 -23.148 -15.012 -1.321 1.00 33.03 C ATOM 619 C ILE A 41 -24.592 -14.546 -1.233 1.00 40.43 C ATOM 620 O ILE A 41 -24.862 -13.354 -1.104 1.00 0.12 O ATOM 621 CB ILE A 41 -22.388 -14.546 -0.063 1.00 63.32 C ATOM 622 CG1 ILE A 41 -20.941 -15.047 -0.090 1.00 72.31 C ATOM 623 CG2 ILE A 41 -23.094 -15.027 1.198 1.00 50.41 C ATOM 624 CD1 ILE A 41 -20.814 -16.557 -0.170 1.00 73.31 C ATOM 0 H ILE A 41 -22.186 -13.562 -2.485 1.00 54.23 H new ATOM 0 HA ILE A 41 -23.109 -16.101 -1.359 1.00 33.03 H new ATOM 0 HB ILE A 41 -22.375 -13.456 -0.057 1.00 63.32 H new ATOM 0 HG12 ILE A 41 -20.429 -14.604 -0.944 1.00 72.31 H new ATOM 0 HG13 ILE A 41 -20.429 -14.696 0.806 1.00 72.31 H new ATOM 0 HG21 ILE A 41 -22.543 -14.688 2.075 1.00 50.41 H new ATOM 0 HG22 ILE A 41 -24.105 -14.621 1.226 1.00 50.41 H new ATOM 0 HG23 ILE A 41 -23.140 -16.116 1.196 1.00 50.41 H new ATOM 0 HD11 ILE A 41 -19.760 -16.833 -0.185 1.00 73.31 H new ATOM 0 HD12 ILE A 41 -21.295 -17.009 0.697 1.00 73.31 H new ATOM 0 HD13 ILE A 41 -21.296 -16.915 -1.080 1.00 73.31 H new ATOM 636 N SER A 42 -25.513 -15.489 -1.319 1.00 20.34 N ATOM 637 CA SER A 42 -26.924 -15.177 -1.234 1.00 24.41 C ATOM 638 C SER A 42 -27.706 -16.401 -0.790 1.00 53.10 C ATOM 639 O SER A 42 -27.348 -17.532 -1.129 1.00 71.22 O ATOM 640 CB SER A 42 -27.443 -14.693 -2.590 1.00 15.34 C ATOM 641 OG SER A 42 -28.804 -14.313 -2.508 1.00 44.11 O ATOM 0 H SER A 42 -25.306 -16.479 -1.448 1.00 20.34 H new ATOM 0 HA SER A 42 -27.060 -14.383 -0.500 1.00 24.41 H new ATOM 0 HB2 SER A 42 -26.846 -13.847 -2.931 1.00 15.34 H new ATOM 0 HB3 SER A 42 -27.327 -15.484 -3.331 1.00 15.34 H new ATOM 0 HG SER A 42 -28.874 -13.442 -2.064 1.00 44.11 H new ATOM 647 N SER A 43 -28.775 -16.171 -0.041 1.00 30.43 N ATOM 648 CA SER A 43 -29.648 -17.249 0.394 1.00 73.12 C ATOM 649 C SER A 43 -30.418 -17.834 -0.787 1.00 23.01 C ATOM 650 O SER A 43 -31.067 -18.866 -0.661 1.00 1.22 O ATOM 651 CB SER A 43 -30.606 -16.741 1.469 1.00 14.53 C ATOM 652 OG SER A 43 -29.884 -16.250 2.586 1.00 21.44 O ATOM 0 H SER A 43 -29.058 -15.245 0.278 1.00 30.43 H new ATOM 0 HA SER A 43 -29.036 -18.045 0.819 1.00 73.12 H new ATOM 0 HB2 SER A 43 -31.235 -15.951 1.060 1.00 14.53 H new ATOM 0 HB3 SER A 43 -31.270 -17.547 1.783 1.00 14.53 H new ATOM 0 HG SER A 43 -29.252 -16.933 2.893 1.00 21.44 H new ATOM 658 N GLN A 44 -30.322 -17.181 -1.941 1.00 22.21 N ATOM 659 CA GLN A 44 -30.927 -17.697 -3.159 1.00 35.52 C ATOM 660 C GLN A 44 -30.050 -18.795 -3.762 1.00 53.44 C ATOM 661 O GLN A 44 -30.455 -19.491 -4.690 1.00 5.22 O ATOM 662 CB GLN A 44 -31.154 -16.572 -4.172 1.00 53.01 C ATOM 663 CG GLN A 44 -32.165 -15.534 -3.703 1.00 53.14 C ATOM 664 CD GLN A 44 -32.436 -14.464 -4.743 1.00 12.44 C ATOM 665 OE1 GLN A 44 -31.772 -13.430 -4.779 1.00 4.51 O ATOM 666 NE2 GLN A 44 -33.421 -14.701 -5.598 1.00 42.54 N ATOM 0 H GLN A 44 -29.831 -16.294 -2.056 1.00 22.21 H new ATOM 0 HA GLN A 44 -31.897 -18.126 -2.907 1.00 35.52 H new ATOM 0 HB2 GLN A 44 -30.204 -16.078 -4.375 1.00 53.01 H new ATOM 0 HB3 GLN A 44 -31.496 -17.003 -5.113 1.00 53.01 H new ATOM 0 HG2 GLN A 44 -33.100 -16.033 -3.450 1.00 53.14 H new ATOM 0 HG3 GLN A 44 -31.798 -15.063 -2.791 1.00 53.14 H new ATOM 0 HE21 GLN A 44 -33.950 -15.571 -5.538 1.00 42.54 H new ATOM 0 HE22 GLN A 44 -33.649 -14.014 -6.316 1.00 42.54 H new ATOM 675 N PHE A 45 -28.839 -18.936 -3.229 1.00 2.34 N ATOM 676 CA PHE A 45 -27.959 -20.034 -3.612 1.00 54.05 C ATOM 677 C PHE A 45 -27.855 -21.042 -2.476 1.00 52.21 C ATOM 678 O PHE A 45 -27.339 -22.146 -2.655 1.00 54.32 O ATOM 679 CB PHE A 45 -26.562 -19.521 -3.971 1.00 21.10 C ATOM 680 CG PHE A 45 -26.486 -18.803 -5.289 1.00 62.12 C ATOM 681 CD1 PHE A 45 -26.531 -19.510 -6.480 1.00 10.23 C ATOM 682 CD2 PHE A 45 -26.345 -17.425 -5.339 1.00 52.02 C ATOM 683 CE1 PHE A 45 -26.434 -18.857 -7.694 1.00 25.21 C ATOM 684 CE2 PHE A 45 -26.253 -16.767 -6.552 1.00 22.14 C ATOM 685 CZ PHE A 45 -26.296 -17.484 -7.730 1.00 32.51 C ATOM 0 H PHE A 45 -28.446 -18.304 -2.532 1.00 2.34 H new ATOM 0 HA PHE A 45 -28.387 -20.517 -4.490 1.00 54.05 H new ATOM 0 HB2 PHE A 45 -26.222 -18.848 -3.184 1.00 21.10 H new ATOM 0 HB3 PHE A 45 -25.872 -20.364 -3.990 1.00 21.10 H new ATOM 0 HD1 PHE A 45 -26.643 -20.584 -6.459 1.00 10.23 H new ATOM 0 HD2 PHE A 45 -26.307 -16.859 -4.420 1.00 52.02 H new ATOM 0 HE1 PHE A 45 -26.466 -19.421 -8.615 1.00 25.21 H new ATOM 0 HE2 PHE A 45 -26.148 -15.692 -6.577 1.00 22.14 H new ATOM 0 HZ PHE A 45 -26.222 -16.972 -8.678 1.00 32.51 H new ATOM 695 N GLN A 46 -28.367 -20.656 -1.314 1.00 72.45 N ATOM 696 CA GLN A 46 -28.321 -21.504 -0.132 1.00 75.13 C ATOM 697 C GLN A 46 -29.494 -22.473 -0.132 1.00 33.34 C ATOM 698 O GLN A 46 -30.591 -22.133 -0.574 1.00 13.13 O ATOM 699 CB GLN A 46 -28.337 -20.654 1.141 1.00 64.41 C ATOM 700 CG GLN A 46 -27.100 -19.783 1.313 1.00 21.44 C ATOM 701 CD GLN A 46 -27.132 -18.974 2.597 1.00 44.02 C ATOM 702 OE1 GLN A 46 -28.201 -18.590 3.079 1.00 34.13 O ATOM 703 NE2 GLN A 46 -25.965 -18.714 3.161 1.00 64.01 N ATOM 0 H GLN A 46 -28.821 -19.755 -1.166 1.00 72.45 H new ATOM 0 HA GLN A 46 -27.393 -22.076 -0.154 1.00 75.13 H new ATOM 0 HB2 GLN A 46 -29.221 -20.016 1.130 1.00 64.41 H new ATOM 0 HB3 GLN A 46 -28.430 -21.312 2.005 1.00 64.41 H new ATOM 0 HG2 GLN A 46 -26.212 -20.414 1.307 1.00 21.44 H new ATOM 0 HG3 GLN A 46 -27.015 -19.106 0.463 1.00 21.44 H new ATOM 0 HE21 GLN A 46 -25.104 -19.050 2.730 1.00 64.01 H new ATOM 0 HE22 GLN A 46 -25.926 -18.177 4.027 1.00 64.01 H new ATOM 712 N GLY A 47 -29.254 -23.688 0.339 1.00 61.23 N ATOM 713 CA GLY A 47 -30.298 -24.692 0.356 1.00 30.52 C ATOM 714 C GLY A 47 -30.340 -25.493 -0.927 1.00 5.25 C ATOM 715 O GLY A 47 -30.760 -26.651 -0.939 1.00 33.03 O ATOM 0 H GLY A 47 -28.355 -23.997 0.710 1.00 61.23 H new ATOM 0 HA2 GLY A 47 -30.139 -25.366 1.198 1.00 30.52 H new ATOM 0 HA3 GLY A 47 -31.262 -24.209 0.513 1.00 30.52 H new ATOM 719 N LYS A 48 -29.909 -24.872 -2.015 1.00 74.22 N ATOM 720 CA LYS A 48 -29.854 -25.535 -3.306 1.00 25.13 C ATOM 721 C LYS A 48 -28.523 -26.258 -3.472 1.00 55.24 C ATOM 722 O LYS A 48 -27.575 -26.006 -2.726 1.00 42.13 O ATOM 723 CB LYS A 48 -30.052 -24.515 -4.425 1.00 2.30 C ATOM 724 CG LYS A 48 -31.320 -23.692 -4.259 1.00 31.41 C ATOM 725 CD LYS A 48 -31.504 -22.703 -5.394 1.00 43.32 C ATOM 726 CE LYS A 48 -31.798 -23.406 -6.710 1.00 50.32 C ATOM 727 NZ LYS A 48 -33.065 -24.182 -6.661 1.00 10.22 N ATOM 0 H LYS A 48 -29.591 -23.903 -2.027 1.00 74.22 H new ATOM 0 HA LYS A 48 -30.655 -26.272 -3.360 1.00 25.13 H new ATOM 0 HB2 LYS A 48 -29.192 -23.846 -4.456 1.00 2.30 H new ATOM 0 HB3 LYS A 48 -30.085 -25.035 -5.382 1.00 2.30 H new ATOM 0 HG2 LYS A 48 -32.182 -24.358 -4.214 1.00 31.41 H new ATOM 0 HG3 LYS A 48 -31.283 -23.155 -3.311 1.00 31.41 H new ATOM 0 HD2 LYS A 48 -32.321 -22.022 -5.155 1.00 43.32 H new ATOM 0 HD3 LYS A 48 -30.604 -22.097 -5.498 1.00 43.32 H new ATOM 0 HE2 LYS A 48 -31.857 -22.667 -7.509 1.00 50.32 H new ATOM 0 HE3 LYS A 48 -30.973 -24.075 -6.955 1.00 50.32 H new ATOM 0 HZ1 LYS A 48 -32.853 -25.198 -6.727 1.00 10.22 H new ATOM 0 HZ2 LYS A 48 -33.556 -23.988 -5.765 1.00 10.22 H new ATOM 0 HZ3 LYS A 48 -33.674 -23.903 -7.457 1.00 10.22 H new ATOM 741 N SER A 49 -28.456 -27.148 -4.445 1.00 13.41 N ATOM 742 CA SER A 49 -27.265 -27.949 -4.660 1.00 51.51 C ATOM 743 C SER A 49 -26.377 -27.356 -5.749 1.00 12.24 C ATOM 744 O SER A 49 -26.816 -26.519 -6.545 1.00 74.40 O ATOM 745 CB SER A 49 -27.661 -29.381 -5.015 1.00 73.24 C ATOM 746 OG SER A 49 -28.431 -29.962 -3.974 1.00 23.44 O ATOM 0 H SER A 49 -29.215 -27.335 -5.101 1.00 13.41 H new ATOM 0 HA SER A 49 -26.688 -27.953 -3.735 1.00 51.51 H new ATOM 0 HB2 SER A 49 -28.233 -29.386 -5.943 1.00 73.24 H new ATOM 0 HB3 SER A 49 -26.766 -29.978 -5.189 1.00 73.24 H new ATOM 0 HG SER A 49 -28.676 -30.878 -4.221 1.00 23.44 H new ATOM 752 N LYS A 50 -25.125 -27.805 -5.771 1.00 4.42 N ATOM 753 CA LYS A 50 -24.125 -27.306 -6.711 1.00 71.43 C ATOM 754 C LYS A 50 -24.573 -27.438 -8.158 1.00 23.45 C ATOM 755 O LYS A 50 -24.286 -26.564 -8.973 1.00 32.41 O ATOM 756 CB LYS A 50 -22.799 -28.042 -6.528 1.00 4.10 C ATOM 757 CG LYS A 50 -22.934 -29.555 -6.509 1.00 64.11 C ATOM 758 CD LYS A 50 -21.612 -30.234 -6.202 1.00 23.40 C ATOM 759 CE LYS A 50 -21.104 -29.865 -4.819 1.00 14.31 C ATOM 760 NZ LYS A 50 -19.866 -30.604 -4.473 1.00 52.11 N ATOM 0 H LYS A 50 -24.775 -28.524 -5.138 1.00 4.42 H new ATOM 0 HA LYS A 50 -23.995 -26.246 -6.492 1.00 71.43 H new ATOM 0 HB2 LYS A 50 -22.122 -27.757 -7.334 1.00 4.10 H new ATOM 0 HB3 LYS A 50 -22.339 -27.716 -5.595 1.00 4.10 H new ATOM 0 HG2 LYS A 50 -23.674 -29.845 -5.763 1.00 64.11 H new ATOM 0 HG3 LYS A 50 -23.304 -29.899 -7.475 1.00 64.11 H new ATOM 0 HD2 LYS A 50 -21.733 -31.315 -6.270 1.00 23.40 H new ATOM 0 HD3 LYS A 50 -20.873 -29.948 -6.950 1.00 23.40 H new ATOM 0 HE2 LYS A 50 -20.912 -28.793 -4.776 1.00 14.31 H new ATOM 0 HE3 LYS A 50 -21.875 -30.080 -4.079 1.00 14.31 H new ATOM 0 HZ1 LYS A 50 -19.550 -30.326 -3.522 1.00 52.11 H new ATOM 0 HZ2 LYS A 50 -20.056 -31.626 -4.489 1.00 52.11 H new ATOM 0 HZ3 LYS A 50 -19.123 -30.379 -5.165 1.00 52.11 H new ATOM 774 N LEU A 51 -25.263 -28.526 -8.481 1.00 35.35 N ATOM 775 CA LEU A 51 -25.712 -28.750 -9.848 1.00 23.42 C ATOM 776 C LEU A 51 -26.598 -27.600 -10.308 1.00 5.20 C ATOM 777 O LEU A 51 -26.393 -27.035 -11.384 1.00 63.51 O ATOM 778 CB LEU A 51 -26.473 -30.078 -9.982 1.00 12.31 C ATOM 779 CG LEU A 51 -25.611 -31.343 -10.109 1.00 32.31 C ATOM 780 CD1 LEU A 51 -24.662 -31.230 -11.290 1.00 43.12 C ATOM 781 CD2 LEU A 51 -24.838 -31.614 -8.825 1.00 32.51 C ATOM 0 H LEU A 51 -25.521 -29.260 -7.821 1.00 35.35 H new ATOM 0 HA LEU A 51 -24.826 -28.801 -10.481 1.00 23.42 H new ATOM 0 HB2 LEU A 51 -27.121 -30.191 -9.113 1.00 12.31 H new ATOM 0 HB3 LEU A 51 -27.121 -30.015 -10.857 1.00 12.31 H new ATOM 0 HG LEU A 51 -26.280 -32.186 -10.283 1.00 32.31 H new ATOM 0 HD11 LEU A 51 -24.061 -32.136 -11.362 1.00 43.12 H new ATOM 0 HD12 LEU A 51 -25.236 -31.102 -12.207 1.00 43.12 H new ATOM 0 HD13 LEU A 51 -24.007 -30.370 -11.149 1.00 43.12 H new ATOM 0 HD21 LEU A 51 -24.237 -32.515 -8.945 1.00 32.51 H new ATOM 0 HD22 LEU A 51 -24.185 -30.769 -8.608 1.00 32.51 H new ATOM 0 HD23 LEU A 51 -25.538 -31.752 -8.001 1.00 32.51 H new ATOM 793 N GLU A 52 -27.555 -27.243 -9.462 1.00 71.20 N ATOM 794 CA GLU A 52 -28.474 -26.151 -9.743 1.00 3.31 C ATOM 795 C GLU A 52 -27.704 -24.845 -9.920 1.00 30.12 C ATOM 796 O GLU A 52 -27.940 -24.093 -10.868 1.00 1.51 O ATOM 797 CB GLU A 52 -29.481 -26.015 -8.601 1.00 30.33 C ATOM 798 CG GLU A 52 -30.193 -27.315 -8.266 1.00 23.32 C ATOM 799 CD GLU A 52 -31.130 -27.176 -7.087 1.00 25.24 C ATOM 800 OE1 GLU A 52 -32.304 -26.813 -7.297 1.00 33.02 O ATOM 801 OE2 GLU A 52 -30.697 -27.425 -5.945 1.00 61.13 O ATOM 0 H GLU A 52 -27.715 -27.701 -8.565 1.00 71.20 H new ATOM 0 HA GLU A 52 -29.009 -26.368 -10.667 1.00 3.31 H new ATOM 0 HB2 GLU A 52 -28.964 -25.653 -7.712 1.00 30.33 H new ATOM 0 HB3 GLU A 52 -30.222 -25.262 -8.868 1.00 30.33 H new ATOM 0 HG2 GLU A 52 -30.757 -27.651 -9.136 1.00 23.32 H new ATOM 0 HG3 GLU A 52 -29.453 -28.085 -8.049 1.00 23.32 H new ATOM 808 N GLN A 53 -26.769 -24.601 -9.006 1.00 12.11 N ATOM 809 CA GLN A 53 -25.951 -23.393 -9.042 1.00 42.34 C ATOM 810 C GLN A 53 -25.160 -23.316 -10.345 1.00 43.01 C ATOM 811 O GLN A 53 -25.147 -22.279 -11.014 1.00 50.30 O ATOM 812 CB GLN A 53 -24.983 -23.371 -7.854 1.00 43.04 C ATOM 813 CG GLN A 53 -25.667 -23.477 -6.501 1.00 62.32 C ATOM 814 CD GLN A 53 -24.676 -23.513 -5.354 1.00 34.52 C ATOM 815 OE1 GLN A 53 -23.547 -23.979 -5.509 1.00 70.33 O ATOM 816 NE2 GLN A 53 -25.089 -23.037 -4.194 1.00 33.33 N ATOM 0 H GLN A 53 -26.559 -25.227 -8.228 1.00 12.11 H new ATOM 0 HA GLN A 53 -26.616 -22.532 -8.981 1.00 42.34 H new ATOM 0 HB2 GLN A 53 -24.276 -24.194 -7.958 1.00 43.04 H new ATOM 0 HB3 GLN A 53 -24.404 -22.448 -7.886 1.00 43.04 H new ATOM 0 HG2 GLN A 53 -26.340 -22.630 -6.370 1.00 62.32 H new ATOM 0 HG3 GLN A 53 -26.280 -24.378 -6.476 1.00 62.32 H new ATOM 0 HE21 GLN A 53 -26.032 -22.659 -4.105 1.00 33.33 H new ATOM 0 HE22 GLN A 53 -24.465 -23.047 -3.387 1.00 33.33 H new ATOM 825 N HIS A 54 -24.528 -24.427 -10.711 1.00 11.40 N ATOM 826 CA HIS A 54 -23.703 -24.484 -11.916 1.00 50.22 C ATOM 827 C HIS A 54 -24.536 -24.190 -13.157 1.00 75.33 C ATOM 828 O HIS A 54 -24.140 -23.385 -13.995 1.00 22.05 O ATOM 829 CB HIS A 54 -23.028 -25.852 -12.066 1.00 60.03 C ATOM 830 CG HIS A 54 -22.036 -26.175 -10.988 1.00 0.23 C ATOM 831 ND1 HIS A 54 -21.724 -27.467 -10.621 1.00 44.12 N ATOM 832 CD2 HIS A 54 -21.281 -25.371 -10.199 1.00 72.31 C ATOM 833 CE1 HIS A 54 -20.829 -27.443 -9.649 1.00 21.24 C ATOM 834 NE2 HIS A 54 -20.541 -26.185 -9.375 1.00 73.11 N ATOM 0 H HIS A 54 -24.571 -25.303 -10.190 1.00 11.40 H new ATOM 0 HA HIS A 54 -22.930 -23.723 -11.815 1.00 50.22 H new ATOM 0 HB2 HIS A 54 -23.797 -26.624 -12.078 1.00 60.03 H new ATOM 0 HB3 HIS A 54 -22.523 -25.890 -13.031 1.00 60.03 H new ATOM 0 HD2 HIS A 54 -21.264 -24.291 -10.215 1.00 72.31 H new ATOM 0 HE1 HIS A 54 -20.405 -28.308 -9.161 1.00 21.24 H new ATOM 0 HE2 HIS A 54 -19.878 -25.868 -8.668 1.00 73.11 H new ATOM 843 N ARG A 55 -25.692 -24.840 -13.258 1.00 60.31 N ATOM 844 CA ARG A 55 -26.588 -24.647 -14.396 1.00 40.14 C ATOM 845 C ARG A 55 -27.015 -23.190 -14.525 1.00 43.34 C ATOM 846 O ARG A 55 -26.878 -22.588 -15.594 1.00 3.25 O ATOM 847 CB ARG A 55 -27.826 -25.537 -14.265 1.00 52.11 C ATOM 848 CG ARG A 55 -27.708 -26.890 -14.952 1.00 35.13 C ATOM 849 CD ARG A 55 -26.523 -27.696 -14.447 1.00 61.41 C ATOM 850 NE ARG A 55 -26.556 -29.070 -14.942 1.00 74.14 N ATOM 851 CZ ARG A 55 -25.478 -29.825 -15.145 1.00 14.23 C ATOM 852 NH1 ARG A 55 -24.262 -29.325 -14.962 1.00 74.13 N ATOM 853 NH2 ARG A 55 -25.618 -31.076 -15.564 1.00 52.14 N ATOM 0 H ARG A 55 -26.031 -25.506 -12.564 1.00 60.31 H new ATOM 0 HA ARG A 55 -26.039 -24.927 -15.295 1.00 40.14 H new ATOM 0 HB2 ARG A 55 -28.031 -25.698 -13.207 1.00 52.11 H new ATOM 0 HB3 ARG A 55 -28.684 -25.007 -14.679 1.00 52.11 H new ATOM 0 HG2 ARG A 55 -28.625 -27.457 -14.791 1.00 35.13 H new ATOM 0 HG3 ARG A 55 -27.610 -26.741 -16.027 1.00 35.13 H new ATOM 0 HD2 ARG A 55 -25.596 -27.217 -14.762 1.00 61.41 H new ATOM 0 HD3 ARG A 55 -26.524 -27.701 -13.357 1.00 61.41 H new ATOM 0 HE ARG A 55 -27.468 -29.479 -15.146 1.00 74.14 H new ATOM 0 HH11 ARG A 55 -24.148 -28.356 -14.664 1.00 74.13 H new ATOM 0 HH12 ARG A 55 -23.441 -29.910 -15.120 1.00 74.13 H new ATOM 0 HH21 ARG A 55 -26.549 -31.457 -15.730 1.00 52.14 H new ATOM 0 HH22 ARG A 55 -24.794 -31.657 -15.720 1.00 52.14 H new ATOM 867 N MET A 56 -27.524 -22.626 -13.432 1.00 5.13 N ATOM 868 CA MET A 56 -28.002 -21.247 -13.437 1.00 13.24 C ATOM 869 C MET A 56 -26.901 -20.289 -13.871 1.00 73.24 C ATOM 870 O MET A 56 -27.104 -19.465 -14.763 1.00 12.14 O ATOM 871 CB MET A 56 -28.534 -20.841 -12.059 1.00 12.34 C ATOM 872 CG MET A 56 -29.808 -21.570 -11.652 1.00 75.15 C ATOM 873 SD MET A 56 -30.464 -21.002 -10.068 1.00 61.02 S ATOM 874 CE MET A 56 -29.092 -21.373 -8.977 1.00 11.14 C ATOM 0 H MET A 56 -27.616 -23.102 -12.534 1.00 5.13 H new ATOM 0 HA MET A 56 -28.820 -21.188 -14.155 1.00 13.24 H new ATOM 0 HB2 MET A 56 -27.763 -21.031 -11.312 1.00 12.34 H new ATOM 0 HB3 MET A 56 -28.724 -19.768 -12.055 1.00 12.34 H new ATOM 0 HG2 MET A 56 -30.564 -21.430 -12.425 1.00 75.15 H new ATOM 0 HG3 MET A 56 -29.606 -22.640 -11.594 1.00 75.15 H new ATOM 0 HE1 MET A 56 -29.379 -21.161 -7.947 1.00 11.14 H new ATOM 0 HE2 MET A 56 -28.827 -22.426 -9.070 1.00 11.14 H new ATOM 0 HE3 MET A 56 -28.234 -20.758 -9.249 1.00 11.14 H new ATOM 884 N ILE A 57 -25.727 -20.416 -13.261 1.00 55.45 N ATOM 885 CA ILE A 57 -24.594 -19.553 -13.586 1.00 13.21 C ATOM 886 C ILE A 57 -24.170 -19.733 -15.043 1.00 34.43 C ATOM 887 O ILE A 57 -23.880 -18.759 -15.742 1.00 62.10 O ATOM 888 CB ILE A 57 -23.396 -19.837 -12.659 1.00 42.03 C ATOM 889 CG1 ILE A 57 -23.778 -19.552 -11.203 1.00 2.03 C ATOM 890 CG2 ILE A 57 -22.183 -19.011 -13.067 1.00 32.31 C ATOM 891 CD1 ILE A 57 -24.262 -18.136 -10.959 1.00 2.10 C ATOM 0 H ILE A 57 -25.534 -21.109 -12.538 1.00 55.45 H new ATOM 0 HA ILE A 57 -24.916 -18.523 -13.437 1.00 13.21 H new ATOM 0 HB ILE A 57 -23.130 -20.890 -12.752 1.00 42.03 H new ATOM 0 HG12 ILE A 57 -24.559 -20.249 -10.900 1.00 2.03 H new ATOM 0 HG13 ILE A 57 -22.914 -19.745 -10.567 1.00 2.03 H new ATOM 0 HG21 ILE A 57 -21.352 -19.230 -12.397 1.00 32.31 H new ATOM 0 HG22 ILE A 57 -21.900 -19.260 -14.090 1.00 32.31 H new ATOM 0 HG23 ILE A 57 -22.428 -17.951 -13.007 1.00 32.31 H new ATOM 0 HD11 ILE A 57 -24.513 -18.014 -9.905 1.00 2.10 H new ATOM 0 HD12 ILE A 57 -23.476 -17.431 -11.229 1.00 2.10 H new ATOM 0 HD13 ILE A 57 -25.146 -17.944 -11.567 1.00 2.10 H new ATOM 903 N TYR A 58 -24.165 -20.979 -15.498 1.00 15.22 N ATOM 904 CA TYR A 58 -23.753 -21.313 -16.857 1.00 4.35 C ATOM 905 C TYR A 58 -24.713 -20.713 -17.885 1.00 73.40 C ATOM 906 O TYR A 58 -24.302 -20.327 -18.980 1.00 43.54 O ATOM 907 CB TYR A 58 -23.684 -22.837 -17.012 1.00 3.41 C ATOM 908 CG TYR A 58 -23.061 -23.311 -18.304 1.00 74.31 C ATOM 909 CD1 TYR A 58 -21.750 -22.988 -18.626 1.00 21.34 C ATOM 910 CD2 TYR A 58 -23.778 -24.107 -19.186 1.00 0.24 C ATOM 911 CE1 TYR A 58 -21.171 -23.443 -19.795 1.00 75.23 C ATOM 912 CE2 TYR A 58 -23.209 -24.563 -20.360 1.00 44.13 C ATOM 913 CZ TYR A 58 -21.905 -24.229 -20.660 1.00 54.23 C ATOM 914 OH TYR A 58 -21.326 -24.694 -21.822 1.00 40.03 O ATOM 0 H TYR A 58 -24.445 -21.785 -14.939 1.00 15.22 H new ATOM 0 HA TYR A 58 -22.766 -20.888 -17.038 1.00 4.35 H new ATOM 0 HB2 TYR A 58 -23.116 -23.248 -16.178 1.00 3.41 H new ATOM 0 HB3 TYR A 58 -24.693 -23.242 -16.941 1.00 3.41 H new ATOM 0 HD1 TYR A 58 -21.174 -22.371 -17.952 1.00 21.34 H new ATOM 0 HD2 TYR A 58 -24.798 -24.375 -18.951 1.00 0.24 H new ATOM 0 HE1 TYR A 58 -20.149 -23.185 -20.031 1.00 75.23 H new ATOM 0 HE2 TYR A 58 -23.782 -25.177 -21.039 1.00 44.13 H new ATOM 0 HH TYR A 58 -21.976 -25.233 -22.319 1.00 40.03 H new ATOM 924 N LYS A 59 -25.992 -20.636 -17.531 1.00 73.42 N ATOM 925 CA LYS A 59 -26.985 -20.055 -18.427 1.00 51.11 C ATOM 926 C LYS A 59 -26.924 -18.527 -18.406 1.00 44.10 C ATOM 927 O LYS A 59 -27.030 -17.878 -19.449 1.00 22.41 O ATOM 928 CB LYS A 59 -28.392 -20.517 -18.053 1.00 13.12 C ATOM 929 CG LYS A 59 -29.442 -20.075 -19.059 1.00 73.15 C ATOM 930 CD LYS A 59 -30.855 -20.316 -18.558 1.00 61.04 C ATOM 931 CE LYS A 59 -31.885 -19.823 -19.562 1.00 2.45 C ATOM 932 NZ LYS A 59 -31.674 -18.392 -19.915 1.00 73.34 N ATOM 0 H LYS A 59 -26.362 -20.965 -16.639 1.00 73.42 H new ATOM 0 HA LYS A 59 -26.754 -20.399 -19.435 1.00 51.11 H new ATOM 0 HB2 LYS A 59 -28.404 -21.604 -17.975 1.00 13.12 H new ATOM 0 HB3 LYS A 59 -28.649 -20.124 -17.069 1.00 13.12 H new ATOM 0 HG2 LYS A 59 -29.311 -19.015 -19.276 1.00 73.15 H new ATOM 0 HG3 LYS A 59 -29.294 -20.612 -19.996 1.00 73.15 H new ATOM 0 HD2 LYS A 59 -31.002 -21.380 -18.375 1.00 61.04 H new ATOM 0 HD3 LYS A 59 -30.998 -19.806 -17.606 1.00 61.04 H new ATOM 0 HE2 LYS A 59 -31.832 -20.431 -20.465 1.00 2.45 H new ATOM 0 HE3 LYS A 59 -32.885 -19.952 -19.149 1.00 2.45 H new ATOM 0 HZ1 LYS A 59 -32.535 -18.014 -20.360 1.00 73.34 H new ATOM 0 HZ2 LYS A 59 -31.462 -17.849 -19.053 1.00 73.34 H new ATOM 0 HZ3 LYS A 59 -30.877 -18.312 -20.579 1.00 73.34 H new ATOM 946 N VAL A 60 -26.765 -17.951 -17.218 1.00 40.42 N ATOM 947 CA VAL A 60 -26.700 -16.496 -17.076 1.00 13.04 C ATOM 948 C VAL A 60 -25.448 -15.945 -17.752 1.00 62.12 C ATOM 949 O VAL A 60 -25.506 -14.954 -18.483 1.00 21.20 O ATOM 950 CB VAL A 60 -26.722 -16.064 -15.592 1.00 40.25 C ATOM 951 CG1 VAL A 60 -26.543 -14.557 -15.456 1.00 54.03 C ATOM 952 CG2 VAL A 60 -28.017 -16.504 -14.929 1.00 74.32 C ATOM 0 H VAL A 60 -26.679 -18.465 -16.341 1.00 40.42 H new ATOM 0 HA VAL A 60 -27.584 -16.085 -17.563 1.00 13.04 H new ATOM 0 HB VAL A 60 -25.887 -16.551 -15.088 1.00 40.25 H new ATOM 0 HG11 VAL A 60 -26.563 -14.282 -14.401 1.00 54.03 H new ATOM 0 HG12 VAL A 60 -25.587 -14.264 -15.890 1.00 54.03 H new ATOM 0 HG13 VAL A 60 -27.351 -14.046 -15.979 1.00 54.03 H new ATOM 0 HG21 VAL A 60 -28.016 -16.192 -13.885 1.00 74.32 H new ATOM 0 HG22 VAL A 60 -28.863 -16.047 -15.443 1.00 74.32 H new ATOM 0 HG23 VAL A 60 -28.103 -17.589 -14.983 1.00 74.32 H new ATOM 962 N LEU A 61 -24.325 -16.608 -17.527 1.00 32.20 N ATOM 963 CA LEU A 61 -23.060 -16.193 -18.118 1.00 23.13 C ATOM 964 C LEU A 61 -22.814 -16.950 -19.420 1.00 43.05 C ATOM 965 O LEU A 61 -21.675 -17.272 -19.758 1.00 70.44 O ATOM 966 CB LEU A 61 -21.909 -16.441 -17.138 1.00 21.35 C ATOM 967 CG LEU A 61 -22.012 -15.690 -15.807 1.00 63.31 C ATOM 968 CD1 LEU A 61 -20.815 -16.005 -14.921 1.00 14.42 C ATOM 969 CD2 LEU A 61 -22.125 -14.190 -16.047 1.00 52.20 C ATOM 0 H LEU A 61 -24.262 -17.438 -16.938 1.00 32.20 H new ATOM 0 HA LEU A 61 -23.110 -15.126 -18.336 1.00 23.13 H new ATOM 0 HB2 LEU A 61 -21.854 -17.510 -16.930 1.00 21.35 H new ATOM 0 HB3 LEU A 61 -20.974 -16.162 -17.623 1.00 21.35 H new ATOM 0 HG LEU A 61 -22.914 -16.023 -15.293 1.00 63.31 H new ATOM 0 HD11 LEU A 61 -20.906 -15.462 -13.980 1.00 14.42 H new ATOM 0 HD12 LEU A 61 -20.782 -17.076 -14.721 1.00 14.42 H new ATOM 0 HD13 LEU A 61 -19.898 -15.703 -15.427 1.00 14.42 H new ATOM 0 HD21 LEU A 61 -22.197 -13.673 -15.090 1.00 52.20 H new ATOM 0 HD22 LEU A 61 -21.243 -13.840 -16.583 1.00 52.20 H new ATOM 0 HD23 LEU A 61 -23.016 -13.982 -16.640 1.00 52.20 H new ATOM 981 N ASP A 62 -23.896 -17.215 -20.147 1.00 51.31 N ATOM 982 CA ASP A 62 -23.827 -17.944 -21.409 1.00 11.45 C ATOM 983 C ASP A 62 -22.918 -17.246 -22.409 1.00 35.13 C ATOM 984 O ASP A 62 -23.091 -16.062 -22.717 1.00 45.22 O ATOM 985 CB ASP A 62 -25.222 -18.107 -22.011 1.00 14.42 C ATOM 986 CG ASP A 62 -25.188 -18.714 -23.400 1.00 30.25 C ATOM 987 OD1 ASP A 62 -24.950 -19.936 -23.518 1.00 64.21 O ATOM 988 OD2 ASP A 62 -25.410 -17.972 -24.381 1.00 3.33 O ATOM 0 H ASP A 62 -24.839 -16.933 -19.880 1.00 51.31 H new ATOM 0 HA ASP A 62 -23.409 -18.927 -21.194 1.00 11.45 H new ATOM 0 HB2 ASP A 62 -25.825 -18.737 -21.357 1.00 14.42 H new ATOM 0 HB3 ASP A 62 -25.711 -17.134 -22.055 1.00 14.42 H new ATOM 993 N GLY A 63 -21.956 -17.993 -22.910 1.00 4.15 N ATOM 994 CA GLY A 63 -21.031 -17.492 -23.878 1.00 43.43 C ATOM 995 C GLY A 63 -19.933 -18.496 -24.101 1.00 33.13 C ATOM 996 O GLY A 63 -19.933 -19.566 -23.487 1.00 43.24 O ATOM 0 H GLY A 63 -21.802 -18.967 -22.650 1.00 4.15 H new ATOM 0 HA2 GLY A 63 -21.547 -17.289 -24.817 1.00 43.43 H new ATOM 0 HA3 GLY A 63 -20.608 -16.547 -23.536 1.00 43.43 H new ATOM 1000 N LEU A 64 -19.016 -18.172 -24.984 1.00 51.34 N ATOM 1001 CA LEU A 64 -17.864 -19.021 -25.235 1.00 3.45 C ATOM 1002 C LEU A 64 -16.862 -18.899 -24.091 1.00 42.35 C ATOM 1003 O LEU A 64 -15.881 -18.164 -24.186 1.00 0.34 O ATOM 1004 CB LEU A 64 -17.199 -18.657 -26.567 1.00 54.54 C ATOM 1005 CG LEU A 64 -16.057 -19.582 -27.002 1.00 53.20 C ATOM 1006 CD1 LEU A 64 -16.561 -21.001 -27.213 1.00 33.22 C ATOM 1007 CD2 LEU A 64 -15.402 -19.055 -28.270 1.00 63.23 C ATOM 0 H LEU A 64 -19.043 -17.321 -25.546 1.00 51.34 H new ATOM 0 HA LEU A 64 -18.205 -20.054 -25.296 1.00 3.45 H new ATOM 0 HB2 LEU A 64 -17.961 -18.656 -27.346 1.00 54.54 H new ATOM 0 HB3 LEU A 64 -16.814 -17.640 -26.496 1.00 54.54 H new ATOM 0 HG LEU A 64 -15.311 -19.601 -26.207 1.00 53.20 H new ATOM 0 HD11 LEU A 64 -15.733 -21.639 -27.521 1.00 33.22 H new ATOM 0 HD12 LEU A 64 -16.984 -21.379 -26.282 1.00 33.22 H new ATOM 0 HD13 LEU A 64 -17.328 -21.003 -27.987 1.00 33.22 H new ATOM 0 HD21 LEU A 64 -14.593 -19.723 -28.566 1.00 63.23 H new ATOM 0 HD22 LEU A 64 -16.142 -19.006 -29.068 1.00 63.23 H new ATOM 0 HD23 LEU A 64 -15.001 -18.059 -28.085 1.00 63.23 H new ATOM 1019 N ASN A 65 -17.152 -19.577 -22.994 1.00 64.21 N ATOM 1020 CA ASN A 65 -16.268 -19.596 -21.837 1.00 60.20 C ATOM 1021 C ASN A 65 -16.490 -20.877 -21.050 1.00 64.31 C ATOM 1022 O ASN A 65 -17.378 -20.955 -20.201 1.00 34.35 O ATOM 1023 CB ASN A 65 -16.519 -18.378 -20.940 1.00 11.43 C ATOM 1024 CG ASN A 65 -15.472 -18.207 -19.846 1.00 63.40 C ATOM 1025 OD1 ASN A 65 -14.849 -19.167 -19.392 1.00 65.22 O ATOM 1026 ND2 ASN A 65 -15.278 -16.972 -19.408 1.00 54.41 N ATOM 0 H ASN A 65 -18.002 -20.128 -22.878 1.00 64.21 H new ATOM 0 HA ASN A 65 -15.236 -19.556 -22.184 1.00 60.20 H new ATOM 0 HB2 ASN A 65 -16.539 -17.480 -21.557 1.00 11.43 H new ATOM 0 HB3 ASN A 65 -17.503 -18.471 -20.480 1.00 11.43 H new ATOM 0 HD21 ASN A 65 -14.595 -16.793 -18.672 1.00 54.41 H new ATOM 0 HD22 ASN A 65 -15.812 -16.200 -19.807 1.00 54.41 H new ATOM 1033 N ILE A 66 -15.707 -21.892 -21.364 1.00 12.30 N ATOM 1034 CA ILE A 66 -15.820 -23.169 -20.684 1.00 41.44 C ATOM 1035 C ILE A 66 -14.746 -23.285 -19.612 1.00 2.50 C ATOM 1036 O ILE A 66 -13.582 -23.553 -19.905 1.00 31.11 O ATOM 1037 CB ILE A 66 -15.716 -24.377 -21.656 1.00 45.11 C ATOM 1038 CG1 ILE A 66 -16.806 -24.328 -22.737 1.00 11.00 C ATOM 1039 CG2 ILE A 66 -15.815 -25.687 -20.885 1.00 4.44 C ATOM 1040 CD1 ILE A 66 -16.514 -23.375 -23.879 1.00 65.41 C ATOM 0 H ILE A 66 -14.986 -21.857 -22.085 1.00 12.30 H new ATOM 0 HA ILE A 66 -16.811 -23.200 -20.230 1.00 41.44 H new ATOM 0 HB ILE A 66 -14.746 -24.319 -22.149 1.00 45.11 H new ATOM 0 HG12 ILE A 66 -16.943 -25.330 -23.143 1.00 11.00 H new ATOM 0 HG13 ILE A 66 -17.749 -24.040 -22.272 1.00 11.00 H new ATOM 0 HG21 ILE A 66 -15.741 -26.524 -21.579 1.00 4.44 H new ATOM 0 HG22 ILE A 66 -15.004 -25.744 -20.159 1.00 4.44 H new ATOM 0 HG23 ILE A 66 -16.772 -25.731 -20.364 1.00 4.44 H new ATOM 0 HD11 ILE A 66 -17.335 -23.404 -24.596 1.00 65.41 H new ATOM 0 HD12 ILE A 66 -16.407 -22.362 -23.490 1.00 65.41 H new ATOM 0 HD13 ILE A 66 -15.590 -23.673 -24.374 1.00 65.41 H new ATOM 1052 N HIS A 67 -15.141 -23.045 -18.372 1.00 15.31 N ATOM 1053 CA HIS A 67 -14.230 -23.160 -17.244 1.00 41.12 C ATOM 1054 C HIS A 67 -14.874 -23.939 -16.114 1.00 13.15 C ATOM 1055 O HIS A 67 -16.092 -23.898 -15.936 1.00 11.25 O ATOM 1056 CB HIS A 67 -13.788 -21.782 -16.746 1.00 61.24 C ATOM 1057 CG HIS A 67 -12.579 -21.255 -17.458 1.00 52.45 C ATOM 1058 ND1 HIS A 67 -12.634 -20.278 -18.428 1.00 61.32 N ATOM 1059 CD2 HIS A 67 -11.274 -21.580 -17.331 1.00 73.33 C ATOM 1060 CE1 HIS A 67 -11.413 -20.033 -18.869 1.00 43.30 C ATOM 1061 NE2 HIS A 67 -10.569 -20.809 -18.219 1.00 5.34 N ATOM 0 H HIS A 67 -16.090 -22.768 -18.120 1.00 15.31 H new ATOM 0 HA HIS A 67 -13.347 -23.699 -17.586 1.00 41.12 H new ATOM 0 HB2 HIS A 67 -14.610 -21.077 -16.870 1.00 61.24 H new ATOM 0 HB3 HIS A 67 -13.576 -21.840 -15.678 1.00 61.24 H new ATOM 0 HD1 HIS A 67 -13.483 -19.817 -18.754 1.00 61.32 H new ATOM 0 HD2 HIS A 67 -10.861 -22.313 -16.654 1.00 73.33 H new ATOM 0 HE1 HIS A 67 -11.151 -19.317 -19.634 1.00 43.30 H new ATOM 1070 N ALA A 68 -14.054 -24.653 -15.358 1.00 1.04 N ATOM 1071 CA ALA A 68 -14.546 -25.466 -14.260 1.00 21.21 C ATOM 1072 C ALA A 68 -14.904 -24.604 -13.055 1.00 64.03 C ATOM 1073 O ALA A 68 -15.866 -24.891 -12.339 1.00 11.40 O ATOM 1074 CB ALA A 68 -13.517 -26.518 -13.877 1.00 11.23 C ATOM 0 H ALA A 68 -13.043 -24.685 -15.486 1.00 1.04 H new ATOM 0 HA ALA A 68 -15.453 -25.970 -14.593 1.00 21.21 H new ATOM 0 HB1 ALA A 68 -13.901 -27.119 -13.053 1.00 11.23 H new ATOM 0 HB2 ALA A 68 -13.319 -27.162 -14.734 1.00 11.23 H new ATOM 0 HB3 ALA A 68 -12.593 -26.028 -13.569 1.00 11.23 H new ATOM 1080 N ILE A 69 -14.137 -23.542 -12.841 1.00 52.42 N ATOM 1081 CA ILE A 69 -14.364 -22.659 -11.708 1.00 0.05 C ATOM 1082 C ILE A 69 -14.128 -21.193 -12.079 1.00 34.51 C ATOM 1083 O ILE A 69 -12.996 -20.752 -12.279 1.00 0.24 O ATOM 1084 CB ILE A 69 -13.490 -23.058 -10.490 1.00 22.12 C ATOM 1085 CG1 ILE A 69 -13.629 -22.027 -9.362 1.00 14.31 C ATOM 1086 CG2 ILE A 69 -12.029 -23.236 -10.891 1.00 14.41 C ATOM 1087 CD1 ILE A 69 -12.826 -22.363 -8.120 1.00 43.35 C ATOM 0 H ILE A 69 -13.354 -23.273 -13.437 1.00 52.42 H new ATOM 0 HA ILE A 69 -15.411 -22.771 -11.425 1.00 0.05 H new ATOM 0 HB ILE A 69 -13.849 -24.018 -10.120 1.00 22.12 H new ATOM 0 HG12 ILE A 69 -13.314 -21.052 -9.734 1.00 14.31 H new ATOM 0 HG13 ILE A 69 -14.681 -21.940 -9.090 1.00 14.31 H new ATOM 0 HG21 ILE A 69 -11.443 -23.515 -10.016 1.00 14.41 H new ATOM 0 HG22 ILE A 69 -11.951 -24.020 -11.645 1.00 14.41 H new ATOM 0 HG23 ILE A 69 -11.647 -22.300 -11.300 1.00 14.41 H new ATOM 0 HD11 ILE A 69 -12.976 -21.588 -7.369 1.00 43.35 H new ATOM 0 HD12 ILE A 69 -13.156 -23.323 -7.722 1.00 43.35 H new ATOM 0 HD13 ILE A 69 -11.768 -22.421 -8.375 1.00 43.35 H new ATOM 1099 N GLN A 70 -15.220 -20.460 -12.228 1.00 62.22 N ATOM 1100 CA GLN A 70 -15.167 -19.011 -12.404 1.00 45.13 C ATOM 1101 C GLN A 70 -16.237 -18.340 -11.549 1.00 54.23 C ATOM 1102 O GLN A 70 -16.374 -17.114 -11.532 1.00 20.23 O ATOM 1103 CB GLN A 70 -15.315 -18.615 -13.885 1.00 3.32 C ATOM 1104 CG GLN A 70 -16.172 -19.559 -14.725 1.00 45.50 C ATOM 1105 CD GLN A 70 -17.593 -19.699 -14.217 1.00 33.33 C ATOM 1106 OE1 GLN A 70 -17.884 -20.575 -13.406 1.00 41.12 O ATOM 1107 NE2 GLN A 70 -18.483 -18.843 -14.691 1.00 43.43 N ATOM 0 H GLN A 70 -16.164 -20.846 -12.231 1.00 62.22 H new ATOM 0 HA GLN A 70 -14.187 -18.665 -12.075 1.00 45.13 H new ATOM 0 HB2 GLN A 70 -15.746 -17.615 -13.936 1.00 3.32 H new ATOM 0 HB3 GLN A 70 -14.322 -18.557 -14.331 1.00 3.32 H new ATOM 0 HG2 GLN A 70 -16.196 -19.197 -15.753 1.00 45.50 H new ATOM 0 HG3 GLN A 70 -15.703 -20.543 -14.744 1.00 45.50 H new ATOM 0 HE21 GLN A 70 -18.198 -18.131 -15.363 1.00 43.43 H new ATOM 0 HE22 GLN A 70 -19.454 -18.895 -14.384 1.00 43.43 H new ATOM 1116 N ILE A 71 -16.970 -19.163 -10.817 1.00 33.52 N ATOM 1117 CA ILE A 71 -18.032 -18.700 -9.942 1.00 32.34 C ATOM 1118 C ILE A 71 -17.912 -19.395 -8.590 1.00 21.45 C ATOM 1119 O ILE A 71 -17.632 -20.595 -8.523 1.00 21.34 O ATOM 1120 CB ILE A 71 -19.435 -18.989 -10.547 1.00 50.02 C ATOM 1121 CG1 ILE A 71 -20.552 -18.461 -9.638 1.00 0.15 C ATOM 1122 CG2 ILE A 71 -19.623 -20.480 -10.796 1.00 12.14 C ATOM 1123 CD1 ILE A 71 -20.932 -17.019 -9.898 1.00 61.50 C ATOM 0 H ILE A 71 -16.844 -20.175 -10.814 1.00 33.52 H new ATOM 0 HA ILE A 71 -17.929 -17.621 -9.824 1.00 32.34 H new ATOM 0 HB ILE A 71 -19.494 -18.466 -11.501 1.00 50.02 H new ATOM 0 HG12 ILE A 71 -21.435 -19.087 -9.765 1.00 0.15 H new ATOM 0 HG13 ILE A 71 -20.238 -18.561 -8.599 1.00 0.15 H new ATOM 0 HG21 ILE A 71 -20.612 -20.656 -11.219 1.00 12.14 H new ATOM 0 HG22 ILE A 71 -18.862 -20.831 -11.493 1.00 12.14 H new ATOM 0 HG23 ILE A 71 -19.530 -21.021 -9.854 1.00 12.14 H new ATOM 0 HD11 ILE A 71 -21.728 -16.723 -9.214 1.00 61.50 H new ATOM 0 HD12 ILE A 71 -20.063 -16.380 -9.742 1.00 61.50 H new ATOM 0 HD13 ILE A 71 -21.279 -16.914 -10.926 1.00 61.50 H new ATOM 1135 N GLN A 72 -18.077 -18.641 -7.519 1.00 4.42 N ATOM 1136 CA GLN A 72 -18.110 -19.221 -6.189 1.00 11.31 C ATOM 1137 C GLN A 72 -19.420 -18.856 -5.516 1.00 41.51 C ATOM 1138 O GLN A 72 -19.642 -17.709 -5.146 1.00 30.42 O ATOM 1139 CB GLN A 72 -16.929 -18.737 -5.345 1.00 73.05 C ATOM 1140 CG GLN A 72 -15.570 -19.082 -5.932 1.00 75.12 C ATOM 1141 CD GLN A 72 -14.434 -18.804 -4.970 1.00 52.33 C ATOM 1142 OE1 GLN A 72 -14.526 -17.924 -4.116 1.00 74.24 O ATOM 1143 NE2 GLN A 72 -13.352 -19.554 -5.105 1.00 23.21 N ATOM 0 H GLN A 72 -18.190 -17.628 -7.544 1.00 4.42 H new ATOM 0 HA GLN A 72 -18.032 -20.305 -6.278 1.00 11.31 H new ATOM 0 HB2 GLN A 72 -16.999 -17.656 -5.227 1.00 73.05 H new ATOM 0 HB3 GLN A 72 -17.005 -19.172 -4.349 1.00 73.05 H new ATOM 0 HG2 GLN A 72 -15.556 -20.136 -6.211 1.00 75.12 H new ATOM 0 HG3 GLN A 72 -15.416 -18.508 -6.846 1.00 75.12 H new ATOM 0 HE21 GLN A 72 -13.317 -20.274 -5.827 1.00 23.21 H new ATOM 0 HE22 GLN A 72 -12.553 -19.413 -4.487 1.00 23.21 H new ATOM 1152 N THR A 73 -20.291 -19.829 -5.371 1.00 51.10 N ATOM 1153 CA THR A 73 -21.599 -19.585 -4.805 1.00 71.51 C ATOM 1154 C THR A 73 -21.698 -20.150 -3.398 1.00 31.34 C ATOM 1155 O THR A 73 -21.183 -21.234 -3.119 1.00 0.24 O ATOM 1156 CB THR A 73 -22.691 -20.188 -5.702 1.00 1.24 C ATOM 1157 OG1 THR A 73 -22.264 -21.466 -6.198 1.00 14.45 O ATOM 1158 CG2 THR A 73 -22.997 -19.258 -6.867 1.00 60.22 C ATOM 0 H THR A 73 -20.117 -20.798 -5.637 1.00 51.10 H new ATOM 0 HA THR A 73 -21.748 -18.507 -4.748 1.00 71.51 H new ATOM 0 HB THR A 73 -23.597 -20.315 -5.110 1.00 1.24 H new ATOM 0 HG1 THR A 73 -21.763 -21.937 -5.500 1.00 14.45 H new ATOM 0 HG21 THR A 73 -23.773 -19.701 -7.492 1.00 60.22 H new ATOM 0 HG22 THR A 73 -23.343 -18.298 -6.485 1.00 60.22 H new ATOM 0 HG23 THR A 73 -22.095 -19.108 -7.460 1.00 60.22 H new ATOM 1166 N GLY A 74 -22.337 -19.396 -2.514 1.00 12.20 N ATOM 1167 CA GLY A 74 -22.517 -19.841 -1.147 1.00 10.41 C ATOM 1168 C GLY A 74 -23.438 -21.038 -1.048 1.00 15.25 C ATOM 1169 O GLY A 74 -24.653 -20.890 -0.923 1.00 44.31 O ATOM 0 H GLY A 74 -22.735 -18.480 -2.721 1.00 12.20 H new ATOM 0 HA2 GLY A 74 -21.547 -20.096 -0.720 1.00 10.41 H new ATOM 0 HA3 GLY A 74 -22.923 -19.023 -0.552 1.00 10.41 H new ATOM 1173 N CYS A 75 -22.860 -22.226 -1.120 1.00 41.31 N ATOM 1174 CA CYS A 75 -23.627 -23.453 -1.028 1.00 31.41 C ATOM 1175 C CYS A 75 -23.839 -23.815 0.435 1.00 22.14 C ATOM 1176 O CYS A 75 -22.884 -24.079 1.166 1.00 42.21 O ATOM 1177 CB CYS A 75 -22.901 -24.585 -1.760 1.00 54.21 C ATOM 1178 SG CYS A 75 -23.842 -26.127 -1.886 1.00 1.04 S ATOM 0 H CYS A 75 -21.857 -22.365 -1.243 1.00 41.31 H new ATOM 0 HA CYS A 75 -24.598 -23.306 -1.500 1.00 31.41 H new ATOM 0 HB2 CYS A 75 -22.647 -24.246 -2.765 1.00 54.21 H new ATOM 0 HB3 CYS A 75 -21.962 -24.789 -1.246 1.00 54.21 H new ATOM 0 HG CYS A 75 -23.138 -27.014 -2.524 1.00 1.04 H new ATOM 1184 N LYS A 76 -25.087 -23.807 0.861 1.00 72.44 N ATOM 1185 CA LYS A 76 -25.423 -24.144 2.231 1.00 24.13 C ATOM 1186 C LYS A 76 -26.143 -25.483 2.262 1.00 65.44 C ATOM 1187 O LYS A 76 -27.384 -25.495 2.159 1.00 51.21 O ATOM 1188 CB LYS A 76 -26.301 -23.050 2.848 1.00 54.32 C ATOM 1189 CG LYS A 76 -26.590 -23.254 4.326 1.00 62.33 C ATOM 1190 CD LYS A 76 -27.623 -22.262 4.836 1.00 31.01 C ATOM 1191 CE LYS A 76 -27.939 -22.485 6.307 1.00 51.33 C ATOM 1192 NZ LYS A 76 -28.386 -23.878 6.582 1.00 72.41 N ATOM 1193 OXT LYS A 76 -25.460 -26.524 2.349 1.00 0.00 O ATOM 0 H LYS A 76 -25.888 -23.570 0.276 1.00 72.44 H new ATOM 0 HA LYS A 76 -24.507 -24.218 2.817 1.00 24.13 H new ATOM 0 HB2 LYS A 76 -25.811 -22.086 2.713 1.00 54.32 H new ATOM 0 HB3 LYS A 76 -27.245 -23.007 2.306 1.00 54.32 H new ATOM 0 HG2 LYS A 76 -26.948 -24.270 4.490 1.00 62.33 H new ATOM 0 HG3 LYS A 76 -25.667 -23.145 4.896 1.00 62.33 H new ATOM 0 HD2 LYS A 76 -27.254 -21.246 4.693 1.00 31.01 H new ATOM 0 HD3 LYS A 76 -28.537 -22.354 4.249 1.00 31.01 H new ATOM 0 HE2 LYS A 76 -27.054 -22.265 6.904 1.00 51.33 H new ATOM 0 HE3 LYS A 76 -28.716 -21.788 6.620 1.00 51.33 H new ATOM 0 HZ1 LYS A 76 -28.827 -23.922 7.523 1.00 72.41 H new ATOM 0 HZ2 LYS A 76 -29.077 -24.169 5.862 1.00 72.41 H new ATOM 0 HZ3 LYS A 76 -27.566 -24.517 6.554 1.00 72.41 H new TER 1207 LYS A 76