USER MOD reduce.3.24.130724 H: found=0, std=0, add=935, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 935 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 80 THR OG1 : rot -83:sc= 0.168 USER MOD Set 1.2: A 85 THR OG1 : rot 180:sc= 0.158 USER MOD Set 2.1: A 21 ASN :FLIP amide:sc= -0.475 F(o=-2.1!,f=-0.46) USER MOD Set 2.2: A 23 THR OG1 : rot 180:sc= 0.0113 USER MOD Single : A 1 MET CE :methyl -139:sc= -0.0557 (180deg=-0.724) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 GLN : amide:sc= -0.153 X(o=-0.15,f=-0.37) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 GLN : amide:sc= -0.262 X(o=-0.26,f=0) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0274 F(o=-0.75,f=-0.027) USER MOD Single : A 20 LYS NZ :NH3+ 155:sc= 0.819 (180deg=-0.124) USER MOD Single : A 28 GLN : amide:sc= 0.216 X(o=0.22,f=-0.06) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= -1.28 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 46 HIS : no HE2:sc= -0.375 K(o=-0.38,f=-1.2) USER MOD Single : A 51 GLN :FLIP amide:sc= 0 F(o=-1.6,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0.258 (180deg=0.258) USER MOD Single : A 53 GLN :FLIP amide:sc= -0.643 F(o=-2.9!,f=-0.64) USER MOD Single : A 56 HIS : no HD1:sc= -0.298 X(o=-0.3,f=0.047) USER MOD Single : A 60 LYS NZ :NH3+ 155:sc= 0.923 (180deg=0.533) USER MOD Single : A 65 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.00628 USER MOD Single : A 69 ASN : amide:sc=-0.000498 K(o=-0.0005,f=-0.75) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN : amide:sc= -0.638 K(o=-0.64,f=-1.6) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.219 X(o=-0.22,f=0) USER MOD Single : A 88 THR OG1 : rot 162:sc= 0.282 USER MOD Single : A 89 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 THR OG1 : rot 89:sc= 1.02 USER MOD Single : A 105 THR OG1 : rot -130:sc= 0.343 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 108 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 109 ASN :FLIP amide:sc= -0.0455 F(o=-1.7!,f=-0.045) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 HIS : no HD1:sc= -0.0339 X(o=-0.034,f=0) USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 HIS : no HD1:sc= 0 X(o=0,f=-0.0085) USER MOD Single : A 118 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 HIS : no HD1:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 120 HIS : no HD1:sc= -0.0796 X(o=-0.08,f=-0.25) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 4.572 -18.542 -3.413 1.00 14.24 N ATOM 2 CA MET A 1 5.026 -17.309 -4.089 1.00 1.52 C ATOM 3 C MET A 1 6.354 -16.808 -3.479 1.00 72.12 C ATOM 4 O MET A 1 6.404 -16.361 -2.330 1.00 50.01 O ATOM 5 CB MET A 1 3.927 -16.201 -4.041 1.00 74.03 C ATOM 6 CG MET A 1 3.377 -15.877 -2.644 1.00 34.22 C ATOM 7 SD MET A 1 2.303 -14.425 -2.620 1.00 12.13 S ATOM 8 CE MET A 1 3.476 -13.113 -2.954 1.00 44.22 C ATOM 0 H1 MET A 1 3.678 -18.862 -3.838 1.00 14.24 H new ATOM 0 H2 MET A 1 5.293 -19.284 -3.523 1.00 14.24 H new ATOM 0 H3 MET A 1 4.425 -18.349 -2.402 1.00 14.24 H new ATOM 0 HA MET A 1 5.206 -17.546 -5.138 1.00 1.52 H new ATOM 0 HB2 MET A 1 4.337 -15.288 -4.472 1.00 74.03 H new ATOM 0 HB3 MET A 1 3.097 -16.509 -4.677 1.00 74.03 H new ATOM 0 HG2 MET A 1 2.822 -16.738 -2.271 1.00 34.22 H new ATOM 0 HG3 MET A 1 4.211 -15.715 -1.961 1.00 34.22 H new ATOM 0 HE1 MET A 1 3.252 -12.255 -2.321 1.00 44.22 H new ATOM 0 HE2 MET A 1 4.486 -13.465 -2.743 1.00 44.22 H new ATOM 0 HE3 MET A 1 3.405 -12.820 -4.001 1.00 44.22 H new ATOM 20 N GLN A 2 7.442 -16.934 -4.252 1.00 42.21 N ATOM 21 CA GLN A 2 8.740 -16.290 -3.957 1.00 55.43 C ATOM 22 C GLN A 2 8.873 -14.999 -4.786 1.00 11.32 C ATOM 23 O GLN A 2 9.972 -14.602 -5.197 1.00 1.42 O ATOM 24 CB GLN A 2 9.909 -17.283 -4.219 1.00 70.22 C ATOM 25 CG GLN A 2 9.958 -18.475 -3.231 1.00 32.02 C ATOM 26 CD GLN A 2 10.091 -18.058 -1.754 1.00 54.55 C ATOM 27 OE1 GLN A 2 10.693 -17.033 -1.427 1.00 52.51 O ATOM 28 NE2 GLN A 2 9.534 -18.849 -0.854 1.00 21.32 N ATOM 0 H GLN A 2 7.451 -17.489 -5.108 1.00 42.21 H new ATOM 0 HA GLN A 2 8.787 -16.016 -2.903 1.00 55.43 H new ATOM 0 HB2 GLN A 2 9.823 -17.670 -5.234 1.00 70.22 H new ATOM 0 HB3 GLN A 2 10.852 -16.740 -4.164 1.00 70.22 H new ATOM 0 HG2 GLN A 2 9.052 -19.070 -3.350 1.00 32.02 H new ATOM 0 HG3 GLN A 2 10.798 -19.117 -3.494 1.00 32.02 H new ATOM 0 HE21 GLN A 2 9.041 -19.691 -1.151 1.00 21.32 H new ATOM 0 HE22 GLN A 2 9.597 -18.617 0.137 1.00 21.32 H new ATOM 37 N ASP A 3 7.714 -14.336 -4.984 1.00 14.45 N ATOM 38 CA ASP A 3 7.599 -13.031 -5.657 1.00 20.01 C ATOM 39 C ASP A 3 7.579 -11.890 -4.618 1.00 31.34 C ATOM 40 O ASP A 3 7.222 -10.774 -4.949 1.00 44.14 O ATOM 41 CB ASP A 3 6.291 -12.985 -6.495 1.00 41.12 C ATOM 42 CG ASP A 3 6.181 -14.131 -7.509 1.00 35.03 C ATOM 43 OD1 ASP A 3 5.483 -15.127 -7.217 1.00 61.40 O ATOM 44 OD2 ASP A 3 6.795 -14.045 -8.597 1.00 43.24 O ATOM 0 H ASP A 3 6.815 -14.703 -4.673 1.00 14.45 H new ATOM 0 HA ASP A 3 8.460 -12.901 -6.312 1.00 20.01 H new ATOM 0 HB2 ASP A 3 5.435 -13.021 -5.822 1.00 41.12 H new ATOM 0 HB3 ASP A 3 6.240 -12.034 -7.025 1.00 41.12 H new ATOM 49 N ILE A 4 8.040 -12.200 -3.389 1.00 1.32 N ATOM 50 CA ILE A 4 7.868 -11.383 -2.157 1.00 64.10 C ATOM 51 C ILE A 4 8.247 -9.880 -2.336 1.00 61.51 C ATOM 52 O ILE A 4 7.538 -8.997 -1.836 1.00 73.22 O ATOM 53 CB ILE A 4 8.698 -12.043 -0.969 1.00 24.13 C ATOM 54 CG1 ILE A 4 8.238 -13.526 -0.716 1.00 33.33 C ATOM 55 CG2 ILE A 4 8.620 -11.225 0.341 1.00 62.03 C ATOM 56 CD1 ILE A 4 6.773 -13.695 -0.318 1.00 3.23 C ATOM 0 H ILE A 4 8.563 -13.058 -3.214 1.00 1.32 H new ATOM 0 HA ILE A 4 6.804 -11.383 -1.919 1.00 64.10 H new ATOM 0 HB ILE A 4 9.741 -12.044 -1.285 1.00 24.13 H new ATOM 0 HG12 ILE A 4 8.421 -14.105 -1.621 1.00 33.33 H new ATOM 0 HG13 ILE A 4 8.862 -13.954 0.068 1.00 33.33 H new ATOM 0 HG21 ILE A 4 9.204 -11.722 1.116 1.00 62.03 H new ATOM 0 HG22 ILE A 4 9.020 -10.225 0.170 1.00 62.03 H new ATOM 0 HG23 ILE A 4 7.581 -11.150 0.662 1.00 62.03 H new ATOM 0 HD11 ILE A 4 6.557 -14.753 -0.167 1.00 3.23 H new ATOM 0 HD12 ILE A 4 6.582 -13.150 0.606 1.00 3.23 H new ATOM 0 HD13 ILE A 4 6.134 -13.303 -1.109 1.00 3.23 H new ATOM 68 N VAL A 5 9.335 -9.603 -3.082 1.00 12.51 N ATOM 69 CA VAL A 5 9.812 -8.221 -3.334 1.00 34.43 C ATOM 70 C VAL A 5 8.842 -7.479 -4.280 1.00 31.51 C ATOM 71 O VAL A 5 8.341 -6.398 -3.946 1.00 3.42 O ATOM 72 CB VAL A 5 11.255 -8.200 -3.967 1.00 54.13 C ATOM 73 CG1 VAL A 5 11.837 -6.763 -4.017 1.00 62.33 C ATOM 74 CG2 VAL A 5 12.202 -9.172 -3.232 1.00 32.34 C ATOM 0 H VAL A 5 9.907 -10.322 -3.525 1.00 12.51 H new ATOM 0 HA VAL A 5 9.851 -7.719 -2.367 1.00 34.43 H new ATOM 0 HB VAL A 5 11.166 -8.545 -4.997 1.00 54.13 H new ATOM 0 HG11 VAL A 5 12.833 -6.789 -4.460 1.00 62.33 H new ATOM 0 HG12 VAL A 5 11.188 -6.128 -4.621 1.00 62.33 H new ATOM 0 HG13 VAL A 5 11.900 -6.360 -3.006 1.00 62.33 H new ATOM 0 HG21 VAL A 5 13.190 -9.135 -3.692 1.00 32.34 H new ATOM 0 HG22 VAL A 5 12.278 -8.883 -2.184 1.00 32.34 H new ATOM 0 HG23 VAL A 5 11.808 -10.186 -3.301 1.00 32.34 H new ATOM 84 N GLU A 6 8.585 -8.107 -5.451 1.00 10.21 N ATOM 85 CA GLU A 6 7.707 -7.554 -6.510 1.00 32.23 C ATOM 86 C GLU A 6 6.267 -7.373 -5.995 1.00 31.44 C ATOM 87 O GLU A 6 5.608 -6.376 -6.293 1.00 33.51 O ATOM 88 CB GLU A 6 7.710 -8.505 -7.742 1.00 41.23 C ATOM 89 CG GLU A 6 6.851 -8.047 -8.949 1.00 4.31 C ATOM 90 CD GLU A 6 7.420 -6.822 -9.703 1.00 1.02 C ATOM 91 OE1 GLU A 6 7.114 -5.668 -9.327 1.00 2.20 O ATOM 92 OE2 GLU A 6 8.184 -7.018 -10.681 1.00 24.30 O ATOM 0 H GLU A 6 8.982 -9.016 -5.689 1.00 10.21 H new ATOM 0 HA GLU A 6 8.092 -6.576 -6.800 1.00 32.23 H new ATOM 0 HB2 GLU A 6 8.739 -8.629 -8.079 1.00 41.23 H new ATOM 0 HB3 GLU A 6 7.359 -9.486 -7.421 1.00 41.23 H new ATOM 0 HG2 GLU A 6 6.755 -8.878 -9.648 1.00 4.31 H new ATOM 0 HG3 GLU A 6 5.847 -7.809 -8.597 1.00 4.31 H new ATOM 99 N ALA A 7 5.823 -8.344 -5.193 1.00 5.22 N ATOM 100 CA ALA A 7 4.465 -8.398 -4.653 1.00 4.51 C ATOM 101 C ALA A 7 4.221 -7.241 -3.690 1.00 42.40 C ATOM 102 O ALA A 7 3.219 -6.554 -3.797 1.00 13.50 O ATOM 103 CB ALA A 7 4.247 -9.738 -3.947 1.00 21.43 C ATOM 0 H ALA A 7 6.407 -9.126 -4.897 1.00 5.22 H new ATOM 0 HA ALA A 7 3.754 -8.307 -5.474 1.00 4.51 H new ATOM 0 HB1 ALA A 7 3.235 -9.777 -3.545 1.00 21.43 H new ATOM 0 HB2 ALA A 7 4.386 -10.551 -4.659 1.00 21.43 H new ATOM 0 HB3 ALA A 7 4.965 -9.841 -3.133 1.00 21.43 H new ATOM 109 N ALA A 8 5.177 -7.029 -2.770 1.00 72.21 N ATOM 110 CA ALA A 8 5.128 -5.933 -1.786 1.00 63.23 C ATOM 111 C ALA A 8 5.180 -4.554 -2.471 1.00 42.12 C ATOM 112 O ALA A 8 4.550 -3.597 -2.015 1.00 25.01 O ATOM 113 CB ALA A 8 6.292 -6.086 -0.809 1.00 35.14 C ATOM 0 H ALA A 8 6.008 -7.614 -2.687 1.00 72.21 H new ATOM 0 HA ALA A 8 4.182 -5.991 -1.247 1.00 63.23 H new ATOM 0 HB1 ALA A 8 6.262 -5.278 -0.078 1.00 35.14 H new ATOM 0 HB2 ALA A 8 6.212 -7.044 -0.295 1.00 35.14 H new ATOM 0 HB3 ALA A 8 7.234 -6.045 -1.356 1.00 35.14 H new ATOM 119 N LYS A 9 5.938 -4.492 -3.573 1.00 62.44 N ATOM 120 CA LYS A 9 6.107 -3.284 -4.399 1.00 45.15 C ATOM 121 C LYS A 9 4.766 -2.874 -5.057 1.00 21.03 C ATOM 122 O LYS A 9 4.350 -1.709 -4.973 1.00 24.21 O ATOM 123 CB LYS A 9 7.191 -3.579 -5.467 1.00 53.54 C ATOM 124 CG LYS A 9 7.487 -2.441 -6.466 1.00 31.25 C ATOM 125 CD LYS A 9 8.497 -2.887 -7.550 1.00 15.11 C ATOM 126 CE LYS A 9 8.759 -1.816 -8.615 1.00 71.41 C ATOM 127 NZ LYS A 9 9.712 -2.304 -9.654 1.00 3.24 N ATOM 0 H LYS A 9 6.462 -5.294 -3.924 1.00 62.44 H new ATOM 0 HA LYS A 9 6.423 -2.446 -3.778 1.00 45.15 H new ATOM 0 HB2 LYS A 9 8.118 -3.835 -4.954 1.00 53.54 H new ATOM 0 HB3 LYS A 9 6.886 -4.460 -6.031 1.00 53.54 H new ATOM 0 HG2 LYS A 9 6.559 -2.122 -6.941 1.00 31.25 H new ATOM 0 HG3 LYS A 9 7.884 -1.579 -5.930 1.00 31.25 H new ATOM 0 HD2 LYS A 9 9.440 -3.151 -7.071 1.00 15.11 H new ATOM 0 HD3 LYS A 9 8.123 -3.788 -8.036 1.00 15.11 H new ATOM 0 HE2 LYS A 9 7.818 -1.532 -9.087 1.00 71.41 H new ATOM 0 HE3 LYS A 9 9.162 -0.921 -8.142 1.00 71.41 H new ATOM 0 HZ1 LYS A 9 9.869 -1.557 -10.360 1.00 3.24 H new ATOM 0 HZ2 LYS A 9 10.617 -2.552 -9.206 1.00 3.24 H new ATOM 0 HZ3 LYS A 9 9.316 -3.144 -10.122 1.00 3.24 H new ATOM 141 N GLN A 10 4.091 -3.867 -5.682 1.00 10.44 N ATOM 142 CA GLN A 10 2.776 -3.678 -6.330 1.00 22.13 C ATOM 143 C GLN A 10 1.697 -3.389 -5.275 1.00 33.31 C ATOM 144 O GLN A 10 0.811 -2.559 -5.493 1.00 14.41 O ATOM 145 CB GLN A 10 2.368 -4.937 -7.155 1.00 44.25 C ATOM 146 CG GLN A 10 3.360 -5.341 -8.264 1.00 4.40 C ATOM 147 CD GLN A 10 2.880 -6.490 -9.171 1.00 72.13 C ATOM 148 OE1 GLN A 10 3.231 -6.545 -10.354 1.00 61.22 O ATOM 149 NE2 GLN A 10 2.098 -7.426 -8.634 1.00 11.30 N ATOM 0 H GLN A 10 4.445 -4.821 -5.750 1.00 10.44 H new ATOM 0 HA GLN A 10 2.860 -2.829 -7.008 1.00 22.13 H new ATOM 0 HB2 GLN A 10 2.249 -5.778 -6.471 1.00 44.25 H new ATOM 0 HB3 GLN A 10 1.394 -4.755 -7.609 1.00 44.25 H new ATOM 0 HG2 GLN A 10 3.565 -4.468 -8.884 1.00 4.40 H new ATOM 0 HG3 GLN A 10 4.303 -5.632 -7.801 1.00 4.40 H new ATOM 0 HE21 GLN A 10 1.821 -7.359 -7.655 1.00 11.30 H new ATOM 0 HE22 GLN A 10 1.776 -8.209 -9.202 1.00 11.30 H new ATOM 158 N ALA A 11 1.824 -4.073 -4.122 1.00 73.00 N ATOM 159 CA ALA A 11 0.863 -4.004 -3.017 1.00 51.01 C ATOM 160 C ALA A 11 0.806 -2.602 -2.430 1.00 45.42 C ATOM 161 O ALA A 11 -0.279 -2.084 -2.183 1.00 24.55 O ATOM 162 CB ALA A 11 1.219 -5.025 -1.927 1.00 63.25 C ATOM 0 H ALA A 11 2.609 -4.696 -3.934 1.00 73.00 H new ATOM 0 HA ALA A 11 -0.123 -4.247 -3.414 1.00 51.01 H new ATOM 0 HB1 ALA A 11 0.494 -4.958 -1.116 1.00 63.25 H new ATOM 0 HB2 ALA A 11 1.200 -6.030 -2.349 1.00 63.25 H new ATOM 0 HB3 ALA A 11 2.216 -4.813 -1.541 1.00 63.25 H new ATOM 168 N ALA A 12 1.996 -1.996 -2.251 1.00 3.43 N ATOM 169 CA ALA A 12 2.133 -0.638 -1.720 1.00 60.51 C ATOM 170 C ALA A 12 1.316 0.361 -2.550 1.00 3.12 C ATOM 171 O ALA A 12 0.388 0.989 -2.035 1.00 63.02 O ATOM 172 CB ALA A 12 3.611 -0.236 -1.679 1.00 53.24 C ATOM 0 H ALA A 12 2.887 -2.440 -2.473 1.00 3.43 H new ATOM 0 HA ALA A 12 1.740 -0.622 -0.703 1.00 60.51 H new ATOM 0 HB1 ALA A 12 3.702 0.775 -1.283 1.00 53.24 H new ATOM 0 HB2 ALA A 12 4.158 -0.927 -1.038 1.00 53.24 H new ATOM 0 HB3 ALA A 12 4.025 -0.269 -2.687 1.00 53.24 H new ATOM 178 N ILE A 13 1.624 0.403 -3.862 1.00 32.42 N ATOM 179 CA ILE A 13 0.982 1.308 -4.832 1.00 22.34 C ATOM 180 C ILE A 13 -0.544 1.040 -4.901 1.00 22.10 C ATOM 181 O ILE A 13 -1.342 1.977 -4.938 1.00 22.45 O ATOM 182 CB ILE A 13 1.636 1.141 -6.264 1.00 62.31 C ATOM 183 CG1 ILE A 13 3.193 1.332 -6.183 1.00 54.44 C ATOM 184 CG2 ILE A 13 1.008 2.117 -7.296 1.00 14.22 C ATOM 185 CD1 ILE A 13 3.945 1.062 -7.482 1.00 72.30 C ATOM 0 H ILE A 13 2.334 -0.198 -4.281 1.00 32.42 H new ATOM 0 HA ILE A 13 1.137 2.334 -4.498 1.00 22.34 H new ATOM 0 HB ILE A 13 1.430 0.128 -6.609 1.00 62.31 H new ATOM 0 HG12 ILE A 13 3.402 2.353 -5.865 1.00 54.44 H new ATOM 0 HG13 ILE A 13 3.585 0.671 -5.410 1.00 54.44 H new ATOM 0 HG21 ILE A 13 1.482 1.974 -8.267 1.00 14.22 H new ATOM 0 HG22 ILE A 13 -0.061 1.919 -7.381 1.00 14.22 H new ATOM 0 HG23 ILE A 13 1.162 3.144 -6.965 1.00 14.22 H new ATOM 0 HD11 ILE A 13 5.012 1.221 -7.325 1.00 72.30 H new ATOM 0 HD12 ILE A 13 3.773 0.032 -7.794 1.00 72.30 H new ATOM 0 HD13 ILE A 13 3.588 1.740 -8.257 1.00 72.30 H new ATOM 197 N ALA A 14 -0.924 -0.258 -4.850 1.00 75.14 N ATOM 198 CA ALA A 14 -2.332 -0.714 -4.949 1.00 74.32 C ATOM 199 C ALA A 14 -3.198 -0.191 -3.790 1.00 1.43 C ATOM 200 O ALA A 14 -4.359 0.183 -3.998 1.00 13.13 O ATOM 201 CB ALA A 14 -2.392 -2.246 -4.995 1.00 71.12 C ATOM 0 H ALA A 14 -0.259 -1.023 -4.738 1.00 75.14 H new ATOM 0 HA ALA A 14 -2.738 -0.303 -5.873 1.00 74.32 H new ATOM 0 HB1 ALA A 14 -3.431 -2.567 -5.068 1.00 71.12 H new ATOM 0 HB2 ALA A 14 -1.839 -2.606 -5.863 1.00 71.12 H new ATOM 0 HB3 ALA A 14 -1.948 -2.655 -4.087 1.00 71.12 H new ATOM 207 N ILE A 15 -2.608 -0.171 -2.577 1.00 72.54 N ATOM 208 CA ILE A 15 -3.258 0.340 -1.354 1.00 10.42 C ATOM 209 C ILE A 15 -3.598 1.844 -1.518 1.00 14.22 C ATOM 210 O ILE A 15 -4.723 2.257 -1.241 1.00 44.45 O ATOM 211 CB ILE A 15 -2.335 0.079 -0.089 1.00 45.12 C ATOM 212 CG1 ILE A 15 -2.206 -1.460 0.187 1.00 34.11 C ATOM 213 CG2 ILE A 15 -2.837 0.818 1.173 1.00 13.45 C ATOM 214 CD1 ILE A 15 -1.211 -1.844 1.278 1.00 50.34 C ATOM 0 H ILE A 15 -1.660 -0.512 -2.418 1.00 72.54 H new ATOM 0 HA ILE A 15 -4.194 -0.196 -1.194 1.00 10.42 H new ATOM 0 HB ILE A 15 -1.350 0.484 -0.322 1.00 45.12 H new ATOM 0 HG12 ILE A 15 -3.188 -1.847 0.460 1.00 34.11 H new ATOM 0 HG13 ILE A 15 -1.914 -1.956 -0.739 1.00 34.11 H new ATOM 0 HG21 ILE A 15 -2.170 0.605 2.009 1.00 13.45 H new ATOM 0 HG22 ILE A 15 -2.852 1.891 0.984 1.00 13.45 H new ATOM 0 HG23 ILE A 15 -3.844 0.479 1.417 1.00 13.45 H new ATOM 0 HD11 ILE A 15 -1.196 -2.928 1.392 1.00 50.34 H new ATOM 0 HD12 ILE A 15 -0.216 -1.494 1.002 1.00 50.34 H new ATOM 0 HD13 ILE A 15 -1.509 -1.384 2.220 1.00 50.34 H new ATOM 226 N PHE A 16 -2.628 2.635 -2.035 1.00 2.05 N ATOM 227 CA PHE A 16 -2.809 4.095 -2.264 1.00 4.30 C ATOM 228 C PHE A 16 -3.813 4.381 -3.392 1.00 73.25 C ATOM 229 O PHE A 16 -4.540 5.382 -3.341 1.00 72.11 O ATOM 230 CB PHE A 16 -1.469 4.784 -2.597 1.00 11.21 C ATOM 231 CG PHE A 16 -0.433 4.660 -1.492 1.00 31.14 C ATOM 232 CD1 PHE A 16 -0.608 5.311 -0.271 1.00 52.44 C ATOM 233 CD2 PHE A 16 0.715 3.910 -1.677 1.00 53.31 C ATOM 234 CE1 PHE A 16 0.335 5.194 0.731 1.00 62.02 C ATOM 235 CE2 PHE A 16 1.648 3.791 -0.679 1.00 53.41 C ATOM 236 CZ PHE A 16 1.466 4.438 0.522 1.00 23.20 C ATOM 0 H PHE A 16 -1.707 2.288 -2.303 1.00 2.05 H new ATOM 0 HA PHE A 16 -3.203 4.502 -1.333 1.00 4.30 H new ATOM 0 HB2 PHE A 16 -1.065 4.352 -3.513 1.00 11.21 H new ATOM 0 HB3 PHE A 16 -1.652 5.840 -2.796 1.00 11.21 H new ATOM 0 HD1 PHE A 16 -1.490 5.913 -0.108 1.00 52.44 H new ATOM 0 HD2 PHE A 16 0.879 3.411 -2.621 1.00 53.31 H new ATOM 0 HE1 PHE A 16 0.185 5.694 1.676 1.00 62.02 H new ATOM 0 HE2 PHE A 16 2.529 3.187 -0.836 1.00 53.41 H new ATOM 0 HZ PHE A 16 2.210 4.353 1.300 1.00 23.20 H new ATOM 246 N GLN A 17 -3.824 3.503 -4.416 1.00 2.43 N ATOM 247 CA GLN A 17 -4.772 3.599 -5.540 1.00 53.41 C ATOM 248 C GLN A 17 -6.206 3.389 -5.038 1.00 15.44 C ATOM 249 O GLN A 17 -7.112 4.071 -5.496 1.00 52.40 O ATOM 250 CB GLN A 17 -4.431 2.586 -6.670 1.00 1.20 C ATOM 251 CG GLN A 17 -3.120 2.890 -7.417 1.00 33.40 C ATOM 252 CD GLN A 17 -2.835 1.905 -8.553 1.00 2.03 C ATOM 253 OE1 GLN A 17 -2.151 0.814 -8.249 1.00 64.32 O flip ATOM 254 NE2 GLN A 17 -3.247 2.115 -9.697 1.00 3.31 N flip ATOM 0 H GLN A 17 -3.181 2.714 -4.485 1.00 2.43 H new ATOM 0 HA GLN A 17 -4.687 4.599 -5.966 1.00 53.41 H new ATOM 0 HB2 GLN A 17 -4.367 1.587 -6.239 1.00 1.20 H new ATOM 0 HB3 GLN A 17 -5.250 2.572 -7.389 1.00 1.20 H new ATOM 0 HG2 GLN A 17 -3.166 3.900 -7.823 1.00 33.40 H new ATOM 0 HG3 GLN A 17 -2.292 2.868 -6.709 1.00 33.40 H new ATOM 0 HE21 GLN A 17 -3.772 2.965 -9.902 1.00 3.31 H new ATOM 0 HE22 GLN A 17 -3.063 1.438 -10.438 1.00 3.31 H new ATOM 263 N LEU A 18 -6.380 2.460 -4.072 1.00 30.30 N ATOM 264 CA LEU A 18 -7.681 2.221 -3.415 1.00 23.51 C ATOM 265 C LEU A 18 -8.064 3.412 -2.509 1.00 40.02 C ATOM 266 O LEU A 18 -9.228 3.805 -2.468 1.00 30.14 O ATOM 267 CB LEU A 18 -7.681 0.889 -2.598 1.00 31.13 C ATOM 268 CG LEU A 18 -7.552 -0.439 -3.423 1.00 23.21 C ATOM 269 CD1 LEU A 18 -7.571 -1.675 -2.495 1.00 34.25 C ATOM 270 CD2 LEU A 18 -8.643 -0.551 -4.519 1.00 42.22 C ATOM 0 H LEU A 18 -5.629 1.861 -3.729 1.00 30.30 H new ATOM 0 HA LEU A 18 -8.430 2.126 -4.201 1.00 23.51 H new ATOM 0 HB2 LEU A 18 -6.859 0.927 -1.883 1.00 31.13 H new ATOM 0 HB3 LEU A 18 -8.604 0.843 -2.020 1.00 31.13 H new ATOM 0 HG LEU A 18 -6.587 -0.408 -3.930 1.00 23.21 H new ATOM 0 HD11 LEU A 18 -7.480 -2.581 -3.094 1.00 34.25 H new ATOM 0 HD12 LEU A 18 -6.737 -1.617 -1.795 1.00 34.25 H new ATOM 0 HD13 LEU A 18 -8.509 -1.699 -1.941 1.00 34.25 H new ATOM 0 HD21 LEU A 18 -8.515 -1.486 -5.065 1.00 42.22 H new ATOM 0 HD22 LEU A 18 -9.629 -0.534 -4.054 1.00 42.22 H new ATOM 0 HD23 LEU A 18 -8.553 0.288 -5.209 1.00 42.22 H new ATOM 282 N TRP A 19 -7.062 3.995 -1.813 1.00 72.50 N ATOM 283 CA TRP A 19 -7.272 5.105 -0.843 1.00 12.40 C ATOM 284 C TRP A 19 -7.939 6.339 -1.485 1.00 1.43 C ATOM 285 O TRP A 19 -8.758 7.018 -0.850 1.00 10.03 O ATOM 286 CB TRP A 19 -5.938 5.489 -0.149 1.00 15.10 C ATOM 287 CG TRP A 19 -5.485 4.566 0.963 1.00 1.41 C ATOM 288 CD1 TRP A 19 -6.059 3.391 1.381 1.00 34.33 C ATOM 289 CD2 TRP A 19 -4.354 4.782 1.821 1.00 32.53 C ATOM 290 NE1 TRP A 19 -5.349 2.873 2.434 1.00 33.31 N ATOM 291 CE2 TRP A 19 -4.301 3.709 2.724 1.00 2.12 C ATOM 292 CE3 TRP A 19 -3.381 5.788 1.909 1.00 3.14 C ATOM 293 CZ2 TRP A 19 -3.310 3.605 3.699 1.00 24.43 C ATOM 294 CZ3 TRP A 19 -2.402 5.687 2.880 1.00 55.12 C ATOM 295 CH2 TRP A 19 -2.375 4.603 3.766 1.00 23.55 C ATOM 0 H TRP A 19 -6.086 3.714 -1.904 1.00 72.50 H new ATOM 0 HA TRP A 19 -7.965 4.737 -0.086 1.00 12.40 H new ATOM 0 HB2 TRP A 19 -5.154 5.528 -0.906 1.00 15.10 H new ATOM 0 HB3 TRP A 19 -6.038 6.495 0.258 1.00 15.10 H new ATOM 0 HD1 TRP A 19 -6.939 2.941 0.945 1.00 34.33 H new ATOM 0 HE1 TRP A 19 -5.566 2.005 2.923 1.00 33.31 H new ATOM 0 HE3 TRP A 19 -3.396 6.628 1.230 1.00 3.14 H new ATOM 0 HZ2 TRP A 19 -3.281 2.766 4.378 1.00 24.43 H new ATOM 0 HZ3 TRP A 19 -1.647 6.455 2.956 1.00 55.12 H new ATOM 0 HH2 TRP A 19 -1.601 4.553 4.517 1.00 23.55 H new ATOM 306 N LYS A 20 -7.579 6.627 -2.738 1.00 12.04 N ATOM 307 CA LYS A 20 -8.183 7.731 -3.512 1.00 33.24 C ATOM 308 C LYS A 20 -9.225 7.223 -4.534 1.00 44.02 C ATOM 309 O LYS A 20 -10.045 8.011 -5.016 1.00 33.41 O ATOM 310 CB LYS A 20 -7.066 8.553 -4.209 1.00 44.52 C ATOM 311 CG LYS A 20 -6.074 7.718 -5.051 1.00 4.33 C ATOM 312 CD LYS A 20 -4.936 8.581 -5.637 1.00 4.42 C ATOM 313 CE LYS A 20 -3.861 7.758 -6.360 1.00 52.12 C ATOM 314 NZ LYS A 20 -2.883 8.641 -7.049 1.00 14.34 N ATOM 0 H LYS A 20 -6.865 6.108 -3.249 1.00 12.04 H new ATOM 0 HA LYS A 20 -8.720 8.377 -2.818 1.00 33.24 H new ATOM 0 HB2 LYS A 20 -7.532 9.297 -4.855 1.00 44.52 H new ATOM 0 HB3 LYS A 20 -6.506 9.097 -3.448 1.00 44.52 H new ATOM 0 HG2 LYS A 20 -5.647 6.930 -4.431 1.00 4.33 H new ATOM 0 HG3 LYS A 20 -6.612 7.229 -5.863 1.00 4.33 H new ATOM 0 HD2 LYS A 20 -5.360 9.304 -6.334 1.00 4.42 H new ATOM 0 HD3 LYS A 20 -4.469 9.149 -4.832 1.00 4.42 H new ATOM 0 HE2 LYS A 20 -3.340 7.124 -5.642 1.00 52.12 H new ATOM 0 HE3 LYS A 20 -4.333 7.096 -7.086 1.00 52.12 H new ATOM 0 HZ1 LYS A 20 -1.979 8.139 -7.158 1.00 14.34 H new ATOM 0 HZ2 LYS A 20 -3.250 8.901 -7.987 1.00 14.34 H new ATOM 0 HZ3 LYS A 20 -2.735 9.502 -6.485 1.00 14.34 H new ATOM 328 N ASN A 21 -9.211 5.907 -4.836 1.00 41.51 N ATOM 329 CA ASN A 21 -10.066 5.303 -5.883 1.00 43.21 C ATOM 330 C ASN A 21 -10.303 3.799 -5.552 1.00 35.41 C ATOM 331 O ASN A 21 -9.642 2.917 -6.124 1.00 51.02 O ATOM 332 CB ASN A 21 -9.405 5.508 -7.290 1.00 3.12 C ATOM 333 CG ASN A 21 -10.238 4.998 -8.473 1.00 22.31 C ATOM 334 OD1 ASN A 21 -10.065 3.738 -8.824 1.00 34.32 O flip ATOM 335 ND2 ASN A 21 -11.026 5.735 -9.068 1.00 34.55 N flip ATOM 0 H ASN A 21 -8.608 5.234 -4.363 1.00 41.51 H new ATOM 0 HA ASN A 21 -11.039 5.793 -5.909 1.00 43.21 H new ATOM 0 HB2 ASN A 21 -9.210 6.571 -7.433 1.00 3.12 H new ATOM 0 HB3 ASN A 21 -8.439 5.003 -7.299 1.00 3.12 H new ATOM 0 HD21 ASN A 21 -11.138 6.705 -8.774 1.00 34.55 H new ATOM 0 HD22 ASN A 21 -11.566 5.375 -9.855 1.00 34.55 H new ATOM 342 N PRO A 22 -11.241 3.474 -4.586 1.00 53.35 N ATOM 343 CA PRO A 22 -11.494 2.066 -4.146 1.00 42.24 C ATOM 344 C PRO A 22 -12.289 1.248 -5.189 1.00 52.22 C ATOM 345 O PRO A 22 -12.487 0.031 -5.031 1.00 20.23 O ATOM 346 CB PRO A 22 -12.279 2.255 -2.823 1.00 74.24 C ATOM 347 CG PRO A 22 -13.015 3.553 -2.993 1.00 21.42 C ATOM 348 CD PRO A 22 -12.115 4.439 -3.844 1.00 63.54 C ATOM 0 HA PRO A 22 -10.576 1.491 -4.022 1.00 42.24 H new ATOM 0 HB2 PRO A 22 -12.969 1.429 -2.652 1.00 74.24 H new ATOM 0 HB3 PRO A 22 -11.606 2.291 -1.966 1.00 74.24 H new ATOM 0 HG2 PRO A 22 -13.978 3.395 -3.479 1.00 21.42 H new ATOM 0 HG3 PRO A 22 -13.217 4.016 -2.027 1.00 21.42 H new ATOM 0 HD2 PRO A 22 -12.697 5.056 -4.529 1.00 63.54 H new ATOM 0 HD3 PRO A 22 -11.525 5.117 -3.227 1.00 63.54 H new ATOM 356 N THR A 23 -12.703 1.942 -6.256 1.00 74.35 N ATOM 357 CA THR A 23 -13.481 1.388 -7.361 1.00 72.55 C ATOM 358 C THR A 23 -12.605 0.558 -8.330 1.00 31.55 C ATOM 359 O THR A 23 -13.149 -0.169 -9.170 1.00 2.21 O ATOM 360 CB THR A 23 -14.164 2.568 -8.131 1.00 65.02 C ATOM 361 OG1 THR A 23 -13.169 3.539 -8.500 1.00 21.32 O ATOM 362 CG2 THR A 23 -15.247 3.266 -7.282 1.00 74.21 C ATOM 0 H THR A 23 -12.498 2.934 -6.374 1.00 74.35 H new ATOM 0 HA THR A 23 -14.232 0.712 -6.952 1.00 72.55 H new ATOM 0 HB THR A 23 -14.643 2.147 -9.015 1.00 65.02 H new ATOM 0 HG1 THR A 23 -13.596 4.277 -8.983 1.00 21.32 H new ATOM 0 HG21 THR A 23 -15.693 4.078 -7.857 1.00 74.21 H new ATOM 0 HG22 THR A 23 -16.019 2.545 -7.013 1.00 74.21 H new ATOM 0 HG23 THR A 23 -14.795 3.669 -6.376 1.00 74.21 H new ATOM 370 N ASP A 24 -11.258 0.670 -8.205 1.00 1.42 N ATOM 371 CA ASP A 24 -10.312 -0.008 -9.121 1.00 55.25 C ATOM 372 C ASP A 24 -10.253 -1.530 -8.833 1.00 3.20 C ATOM 373 O ASP A 24 -9.777 -1.933 -7.762 1.00 40.22 O ATOM 374 CB ASP A 24 -8.887 0.610 -9.031 1.00 55.40 C ATOM 375 CG ASP A 24 -7.961 0.098 -10.157 1.00 63.30 C ATOM 376 OD1 ASP A 24 -8.126 0.546 -11.314 1.00 64.42 O ATOM 377 OD2 ASP A 24 -7.085 -0.756 -9.904 1.00 14.13 O ATOM 0 H ASP A 24 -10.805 1.224 -7.478 1.00 1.42 H new ATOM 0 HA ASP A 24 -10.683 0.141 -10.135 1.00 55.25 H new ATOM 0 HB2 ASP A 24 -8.959 1.696 -9.087 1.00 55.40 H new ATOM 0 HB3 ASP A 24 -8.448 0.369 -8.063 1.00 55.40 H new ATOM 382 N PRO A 25 -10.736 -2.402 -9.788 1.00 13.34 N ATOM 383 CA PRO A 25 -10.797 -3.871 -9.580 1.00 40.54 C ATOM 384 C PRO A 25 -9.416 -4.565 -9.685 1.00 61.52 C ATOM 385 O PRO A 25 -9.257 -5.683 -9.190 1.00 55.14 O ATOM 386 CB PRO A 25 -11.768 -4.341 -10.696 1.00 31.41 C ATOM 387 CG PRO A 25 -11.574 -3.352 -11.805 1.00 63.24 C ATOM 388 CD PRO A 25 -11.268 -2.023 -11.136 1.00 20.41 C ATOM 0 HA PRO A 25 -11.130 -4.130 -8.575 1.00 40.54 H new ATOM 0 HB2 PRO A 25 -11.536 -5.354 -11.023 1.00 31.41 H new ATOM 0 HB3 PRO A 25 -12.800 -4.348 -10.347 1.00 31.41 H new ATOM 0 HG2 PRO A 25 -10.757 -3.656 -12.460 1.00 63.24 H new ATOM 0 HG3 PRO A 25 -12.468 -3.280 -12.424 1.00 63.24 H new ATOM 0 HD2 PRO A 25 -10.537 -1.450 -11.706 1.00 20.41 H new ATOM 0 HD3 PRO A 25 -12.162 -1.405 -11.052 1.00 20.41 H new ATOM 396 N GLU A 26 -8.430 -3.882 -10.300 1.00 3.24 N ATOM 397 CA GLU A 26 -7.096 -4.457 -10.571 1.00 74.23 C ATOM 398 C GLU A 26 -6.242 -4.448 -9.295 1.00 31.10 C ATOM 399 O GLU A 26 -5.595 -5.447 -8.959 1.00 4.14 O ATOM 400 CB GLU A 26 -6.376 -3.660 -11.697 1.00 50.44 C ATOM 401 CG GLU A 26 -7.223 -3.423 -12.966 1.00 23.34 C ATOM 402 CD GLU A 26 -7.791 -4.708 -13.596 1.00 53.33 C ATOM 403 OE1 GLU A 26 -7.043 -5.433 -14.288 1.00 75.44 O ATOM 404 OE2 GLU A 26 -8.993 -4.988 -13.421 1.00 24.33 O ATOM 0 H GLU A 26 -8.535 -2.920 -10.622 1.00 3.24 H new ATOM 0 HA GLU A 26 -7.228 -5.487 -10.901 1.00 74.23 H new ATOM 0 HB2 GLU A 26 -6.067 -2.694 -11.298 1.00 50.44 H new ATOM 0 HB3 GLU A 26 -5.468 -4.194 -11.978 1.00 50.44 H new ATOM 0 HG2 GLU A 26 -8.050 -2.757 -12.718 1.00 23.34 H new ATOM 0 HG3 GLU A 26 -6.611 -2.909 -13.707 1.00 23.34 H new ATOM 411 N ALA A 27 -6.282 -3.303 -8.589 1.00 53.54 N ATOM 412 CA ALA A 27 -5.511 -3.071 -7.363 1.00 44.54 C ATOM 413 C ALA A 27 -5.892 -4.087 -6.278 1.00 23.30 C ATOM 414 O ALA A 27 -5.031 -4.758 -5.715 1.00 14.30 O ATOM 415 CB ALA A 27 -5.737 -1.631 -6.866 1.00 64.10 C ATOM 0 H ALA A 27 -6.858 -2.507 -8.861 1.00 53.54 H new ATOM 0 HA ALA A 27 -4.452 -3.203 -7.586 1.00 44.54 H new ATOM 0 HB1 ALA A 27 -5.161 -1.466 -5.955 1.00 64.10 H new ATOM 0 HB2 ALA A 27 -5.414 -0.927 -7.632 1.00 64.10 H new ATOM 0 HB3 ALA A 27 -6.796 -1.480 -6.658 1.00 64.10 H new ATOM 421 N GLN A 28 -7.209 -4.224 -6.045 1.00 53.45 N ATOM 422 CA GLN A 28 -7.751 -5.134 -5.016 1.00 12.22 C ATOM 423 C GLN A 28 -7.631 -6.628 -5.433 1.00 20.31 C ATOM 424 O GLN A 28 -7.591 -7.503 -4.568 1.00 62.42 O ATOM 425 CB GLN A 28 -9.216 -4.741 -4.679 1.00 12.44 C ATOM 426 CG GLN A 28 -10.193 -4.799 -5.867 1.00 41.44 C ATOM 427 CD GLN A 28 -11.593 -4.267 -5.538 1.00 33.25 C ATOM 428 OE1 GLN A 28 -12.472 -5.012 -5.105 1.00 25.23 O ATOM 429 NE2 GLN A 28 -11.810 -2.975 -5.743 1.00 52.03 N ATOM 0 H GLN A 28 -7.925 -3.712 -6.560 1.00 53.45 H new ATOM 0 HA GLN A 28 -7.149 -5.024 -4.114 1.00 12.22 H new ATOM 0 HB2 GLN A 28 -9.582 -5.402 -3.894 1.00 12.44 H new ATOM 0 HB3 GLN A 28 -9.221 -3.730 -4.272 1.00 12.44 H new ATOM 0 HG2 GLN A 28 -9.780 -4.223 -6.695 1.00 41.44 H new ATOM 0 HG3 GLN A 28 -10.277 -5.831 -6.208 1.00 41.44 H new ATOM 0 HE21 GLN A 28 -11.061 -2.383 -6.103 1.00 52.03 H new ATOM 0 HE22 GLN A 28 -12.726 -2.573 -5.541 1.00 52.03 H new ATOM 438 N GLU A 29 -7.545 -6.909 -6.756 1.00 73.13 N ATOM 439 CA GLU A 29 -7.389 -8.299 -7.276 1.00 11.31 C ATOM 440 C GLU A 29 -5.963 -8.826 -7.044 1.00 71.14 C ATOM 441 O GLU A 29 -5.786 -9.977 -6.630 1.00 75.33 O ATOM 442 CB GLU A 29 -7.724 -8.389 -8.790 1.00 30.04 C ATOM 443 CG GLU A 29 -7.513 -9.798 -9.408 1.00 32.43 C ATOM 444 CD GLU A 29 -7.710 -9.845 -10.927 1.00 24.25 C ATOM 445 OE1 GLU A 29 -8.579 -10.595 -11.419 1.00 12.41 O ATOM 446 OE2 GLU A 29 -6.994 -9.120 -11.646 1.00 11.12 O ATOM 0 H GLU A 29 -7.580 -6.196 -7.485 1.00 73.13 H new ATOM 0 HA GLU A 29 -8.096 -8.917 -6.722 1.00 11.31 H new ATOM 0 HB2 GLU A 29 -8.762 -8.091 -8.939 1.00 30.04 H new ATOM 0 HB3 GLU A 29 -7.106 -7.672 -9.330 1.00 30.04 H new ATOM 0 HG2 GLU A 29 -6.506 -10.141 -9.171 1.00 32.43 H new ATOM 0 HG3 GLU A 29 -8.206 -10.497 -8.940 1.00 32.43 H new ATOM 453 N LEU A 30 -4.937 -7.991 -7.324 1.00 72.53 N ATOM 454 CA LEU A 30 -3.534 -8.412 -7.133 1.00 53.23 C ATOM 455 C LEU A 30 -3.247 -8.602 -5.633 1.00 43.02 C ATOM 456 O LEU A 30 -2.495 -9.495 -5.265 1.00 12.32 O ATOM 457 CB LEU A 30 -2.524 -7.449 -7.854 1.00 62.52 C ATOM 458 CG LEU A 30 -2.465 -5.934 -7.408 1.00 60.31 C ATOM 459 CD1 LEU A 30 -1.524 -5.704 -6.202 1.00 42.12 C ATOM 460 CD2 LEU A 30 -2.077 -5.006 -8.586 1.00 71.24 C ATOM 0 H LEU A 30 -5.051 -7.041 -7.676 1.00 72.53 H new ATOM 0 HA LEU A 30 -3.384 -9.378 -7.615 1.00 53.23 H new ATOM 0 HB2 LEU A 30 -1.525 -7.868 -7.733 1.00 62.52 H new ATOM 0 HB3 LEU A 30 -2.751 -7.471 -8.920 1.00 62.52 H new ATOM 0 HG LEU A 30 -3.473 -5.675 -7.085 1.00 60.31 H new ATOM 0 HD11 LEU A 30 -1.522 -4.646 -5.939 1.00 42.12 H new ATOM 0 HD12 LEU A 30 -1.873 -6.289 -5.351 1.00 42.12 H new ATOM 0 HD13 LEU A 30 -0.513 -6.014 -6.465 1.00 42.12 H new ATOM 0 HD21 LEU A 30 -2.047 -3.973 -8.240 1.00 71.24 H new ATOM 0 HD22 LEU A 30 -1.096 -5.291 -8.965 1.00 71.24 H new ATOM 0 HD23 LEU A 30 -2.815 -5.101 -9.382 1.00 71.24 H new ATOM 472 N LEU A 31 -3.929 -7.791 -4.785 1.00 4.03 N ATOM 473 CA LEU A 31 -3.893 -7.924 -3.305 1.00 31.04 C ATOM 474 C LEU A 31 -4.547 -9.244 -2.829 1.00 42.33 C ATOM 475 O LEU A 31 -4.181 -9.771 -1.783 1.00 12.51 O ATOM 476 CB LEU A 31 -4.597 -6.712 -2.622 1.00 3.53 C ATOM 477 CG LEU A 31 -3.944 -5.314 -2.852 1.00 63.22 C ATOM 478 CD1 LEU A 31 -4.766 -4.186 -2.190 1.00 42.01 C ATOM 479 CD2 LEU A 31 -2.486 -5.289 -2.367 1.00 15.42 C ATOM 0 H LEU A 31 -4.520 -7.025 -5.108 1.00 4.03 H new ATOM 0 HA LEU A 31 -2.843 -7.941 -3.013 1.00 31.04 H new ATOM 0 HB2 LEU A 31 -5.627 -6.671 -2.976 1.00 3.53 H new ATOM 0 HB3 LEU A 31 -4.636 -6.899 -1.549 1.00 3.53 H new ATOM 0 HG LEU A 31 -3.942 -5.134 -3.927 1.00 63.22 H new ATOM 0 HD11 LEU A 31 -4.280 -3.227 -2.372 1.00 42.01 H new ATOM 0 HD12 LEU A 31 -5.770 -4.170 -2.614 1.00 42.01 H new ATOM 0 HD13 LEU A 31 -4.829 -4.363 -1.116 1.00 42.01 H new ATOM 0 HD21 LEU A 31 -2.061 -4.301 -2.542 1.00 15.42 H new ATOM 0 HD22 LEU A 31 -2.453 -5.514 -1.301 1.00 15.42 H new ATOM 0 HD23 LEU A 31 -1.908 -6.034 -2.913 1.00 15.42 H new ATOM 491 N ASN A 32 -5.529 -9.744 -3.602 1.00 62.13 N ATOM 492 CA ASN A 32 -6.215 -11.034 -3.332 1.00 2.43 C ATOM 493 C ASN A 32 -5.253 -12.217 -3.548 1.00 71.14 C ATOM 494 O ASN A 32 -5.343 -13.242 -2.866 1.00 44.23 O ATOM 495 CB ASN A 32 -7.464 -11.168 -4.254 1.00 20.13 C ATOM 496 CG ASN A 32 -8.291 -12.437 -4.008 1.00 34.34 C ATOM 497 OD1 ASN A 32 -8.063 -13.485 -4.620 1.00 72.43 O ATOM 498 ND2 ASN A 32 -9.266 -12.345 -3.118 1.00 41.24 N ATOM 0 H ASN A 32 -5.874 -9.268 -4.435 1.00 62.13 H new ATOM 0 HA ASN A 32 -6.539 -11.050 -2.292 1.00 2.43 H new ATOM 0 HB2 ASN A 32 -8.103 -10.297 -4.110 1.00 20.13 H new ATOM 0 HB3 ASN A 32 -7.138 -11.156 -5.294 1.00 20.13 H new ATOM 0 HD21 ASN A 32 -9.855 -13.154 -2.921 1.00 41.24 H new ATOM 0 HD22 ASN A 32 -9.429 -11.465 -2.629 1.00 41.24 H new ATOM 505 N LYS A 33 -4.325 -12.034 -4.497 1.00 20.23 N ATOM 506 CA LYS A 33 -3.367 -13.065 -4.908 1.00 21.30 C ATOM 507 C LYS A 33 -2.133 -13.078 -3.983 1.00 34.11 C ATOM 508 O LYS A 33 -1.678 -14.146 -3.567 1.00 52.12 O ATOM 509 CB LYS A 33 -2.938 -12.805 -6.380 1.00 53.40 C ATOM 510 CG LYS A 33 -4.113 -12.811 -7.388 1.00 61.20 C ATOM 511 CD LYS A 33 -3.702 -12.367 -8.813 1.00 44.31 C ATOM 512 CE LYS A 33 -2.651 -13.282 -9.459 1.00 51.10 C ATOM 513 NZ LYS A 33 -2.266 -12.810 -10.821 1.00 1.15 N ATOM 0 H LYS A 33 -4.219 -11.156 -5.005 1.00 20.23 H new ATOM 0 HA LYS A 33 -3.846 -14.041 -4.833 1.00 21.30 H new ATOM 0 HB2 LYS A 33 -2.430 -11.842 -6.435 1.00 53.40 H new ATOM 0 HB3 LYS A 33 -2.214 -13.564 -6.676 1.00 53.40 H new ATOM 0 HG2 LYS A 33 -4.536 -13.814 -7.436 1.00 61.20 H new ATOM 0 HG3 LYS A 33 -4.899 -12.151 -7.022 1.00 61.20 H new ATOM 0 HD2 LYS A 33 -4.588 -12.341 -9.447 1.00 44.31 H new ATOM 0 HD3 LYS A 33 -3.311 -11.351 -8.770 1.00 44.31 H new ATOM 0 HE2 LYS A 33 -1.765 -13.322 -8.825 1.00 51.10 H new ATOM 0 HE3 LYS A 33 -3.043 -14.297 -9.524 1.00 51.10 H new ATOM 0 HZ1 LYS A 33 -1.555 -13.454 -11.223 1.00 1.15 H new ATOM 0 HZ2 LYS A 33 -3.106 -12.795 -11.434 1.00 1.15 H new ATOM 0 HZ3 LYS A 33 -1.868 -11.851 -10.757 1.00 1.15 H new ATOM 527 N ILE A 34 -1.617 -11.873 -3.647 1.00 51.33 N ATOM 528 CA ILE A 34 -0.293 -11.715 -2.985 1.00 53.34 C ATOM 529 C ILE A 34 -0.418 -11.570 -1.447 1.00 71.44 C ATOM 530 O ILE A 34 0.422 -12.081 -0.695 1.00 3.14 O ATOM 531 CB ILE A 34 0.493 -10.490 -3.607 1.00 41.30 C ATOM 532 CG1 ILE A 34 -0.189 -9.125 -3.251 1.00 52.44 C ATOM 533 CG2 ILE A 34 0.631 -10.668 -5.145 1.00 61.24 C ATOM 534 CD1 ILE A 34 0.351 -7.907 -3.979 1.00 45.14 C ATOM 0 H ILE A 34 -2.097 -10.990 -3.823 1.00 51.33 H new ATOM 0 HA ILE A 34 0.274 -12.627 -3.170 1.00 53.34 H new ATOM 0 HB ILE A 34 1.491 -10.470 -3.170 1.00 41.30 H new ATOM 0 HG12 ILE A 34 -1.255 -9.207 -3.461 1.00 52.44 H new ATOM 0 HG13 ILE A 34 -0.088 -8.958 -2.179 1.00 52.44 H new ATOM 0 HG21 ILE A 34 1.173 -9.820 -5.562 1.00 61.24 H new ATOM 0 HG22 ILE A 34 1.177 -11.587 -5.357 1.00 61.24 H new ATOM 0 HG23 ILE A 34 -0.360 -10.722 -5.595 1.00 61.24 H new ATOM 0 HD11 ILE A 34 -0.193 -7.019 -3.656 1.00 45.14 H new ATOM 0 HD12 ILE A 34 1.410 -7.787 -3.751 1.00 45.14 H new ATOM 0 HD13 ILE A 34 0.224 -8.039 -5.053 1.00 45.14 H new ATOM 546 N LEU A 35 -1.465 -10.855 -0.998 1.00 72.11 N ATOM 547 CA LEU A 35 -1.806 -10.697 0.436 1.00 60.24 C ATOM 548 C LEU A 35 -3.017 -11.583 0.760 1.00 63.33 C ATOM 549 O LEU A 35 -3.597 -12.207 -0.145 1.00 25.13 O ATOM 550 CB LEU A 35 -2.138 -9.202 0.767 1.00 53.11 C ATOM 551 CG LEU A 35 -1.036 -8.141 0.432 1.00 2.04 C ATOM 552 CD1 LEU A 35 -1.467 -6.717 0.855 1.00 53.43 C ATOM 553 CD2 LEU A 35 0.315 -8.511 1.064 1.00 32.52 C ATOM 0 H LEU A 35 -2.106 -10.365 -1.622 1.00 72.11 H new ATOM 0 HA LEU A 35 -0.950 -10.997 1.041 1.00 60.24 H new ATOM 0 HB2 LEU A 35 -3.046 -8.929 0.230 1.00 53.11 H new ATOM 0 HB3 LEU A 35 -2.364 -9.132 1.831 1.00 53.11 H new ATOM 0 HG LEU A 35 -0.912 -8.144 -0.651 1.00 2.04 H new ATOM 0 HD11 LEU A 35 -0.677 -6.009 0.606 1.00 53.43 H new ATOM 0 HD12 LEU A 35 -2.380 -6.442 0.328 1.00 53.43 H new ATOM 0 HD13 LEU A 35 -1.648 -6.696 1.930 1.00 53.43 H new ATOM 0 HD21 LEU A 35 1.055 -7.752 0.810 1.00 32.52 H new ATOM 0 HD22 LEU A 35 0.207 -8.565 2.147 1.00 32.52 H new ATOM 0 HD23 LEU A 35 0.642 -9.479 0.683 1.00 32.52 H new ATOM 565 N SER A 36 -3.386 -11.657 2.046 1.00 62.04 N ATOM 566 CA SER A 36 -4.650 -12.276 2.456 1.00 73.14 C ATOM 567 C SER A 36 -5.834 -11.390 1.982 1.00 70.40 C ATOM 568 O SER A 36 -5.751 -10.156 2.070 1.00 71.32 O ATOM 569 CB SER A 36 -4.676 -12.487 3.994 1.00 22.04 C ATOM 570 OG SER A 36 -4.227 -11.336 4.681 1.00 40.21 O ATOM 0 H SER A 36 -2.826 -11.296 2.818 1.00 62.04 H new ATOM 0 HA SER A 36 -4.745 -13.257 1.991 1.00 73.14 H new ATOM 0 HB2 SER A 36 -5.690 -12.730 4.312 1.00 22.04 H new ATOM 0 HB3 SER A 36 -4.047 -13.338 4.257 1.00 22.04 H new ATOM 0 HG SER A 36 -4.257 -11.499 5.647 1.00 40.21 H new ATOM 576 N PRO A 37 -6.931 -11.996 1.421 1.00 64.20 N ATOM 577 CA PRO A 37 -8.163 -11.249 1.023 1.00 72.21 C ATOM 578 C PRO A 37 -8.780 -10.367 2.145 1.00 33.42 C ATOM 579 O PRO A 37 -9.526 -9.425 1.858 1.00 51.03 O ATOM 580 CB PRO A 37 -9.128 -12.378 0.601 1.00 61.54 C ATOM 581 CG PRO A 37 -8.228 -13.479 0.127 1.00 2.24 C ATOM 582 CD PRO A 37 -7.030 -13.439 1.053 1.00 73.13 C ATOM 0 HA PRO A 37 -7.947 -10.522 0.240 1.00 72.21 H new ATOM 0 HB2 PRO A 37 -9.748 -12.703 1.436 1.00 61.54 H new ATOM 0 HB3 PRO A 37 -9.804 -12.049 -0.189 1.00 61.54 H new ATOM 0 HG2 PRO A 37 -8.730 -14.445 0.174 1.00 2.24 H new ATOM 0 HG3 PRO A 37 -7.930 -13.325 -0.910 1.00 2.24 H new ATOM 0 HD2 PRO A 37 -7.178 -14.069 1.930 1.00 73.13 H new ATOM 0 HD3 PRO A 37 -6.126 -13.791 0.557 1.00 73.13 H new ATOM 590 N ASP A 38 -8.471 -10.709 3.408 1.00 71.05 N ATOM 591 CA ASP A 38 -8.880 -9.940 4.599 1.00 70.13 C ATOM 592 C ASP A 38 -8.310 -8.501 4.562 1.00 32.51 C ATOM 593 O ASP A 38 -9.012 -7.536 4.903 1.00 45.55 O ATOM 594 CB ASP A 38 -8.410 -10.686 5.879 1.00 42.14 C ATOM 595 CG ASP A 38 -8.904 -10.035 7.184 1.00 51.40 C ATOM 596 OD1 ASP A 38 -8.221 -9.129 7.712 1.00 51.32 O ATOM 597 OD2 ASP A 38 -9.982 -10.430 7.691 1.00 42.51 O ATOM 0 H ASP A 38 -7.923 -11.539 3.635 1.00 71.05 H new ATOM 0 HA ASP A 38 -9.967 -9.858 4.608 1.00 70.13 H new ATOM 0 HB2 ASP A 38 -8.763 -11.717 5.840 1.00 42.14 H new ATOM 0 HB3 ASP A 38 -7.321 -10.722 5.890 1.00 42.14 H new ATOM 602 N VAL A 39 -7.037 -8.385 4.116 1.00 51.11 N ATOM 603 CA VAL A 39 -6.305 -7.101 4.049 1.00 23.14 C ATOM 604 C VAL A 39 -7.003 -6.108 3.097 1.00 21.31 C ATOM 605 O VAL A 39 -7.341 -5.000 3.506 1.00 54.34 O ATOM 606 CB VAL A 39 -4.793 -7.292 3.615 1.00 11.21 C ATOM 607 CG1 VAL A 39 -4.057 -5.938 3.444 1.00 31.22 C ATOM 608 CG2 VAL A 39 -4.028 -8.188 4.614 1.00 63.14 C ATOM 0 H VAL A 39 -6.489 -9.182 3.792 1.00 51.11 H new ATOM 0 HA VAL A 39 -6.313 -6.690 5.058 1.00 23.14 H new ATOM 0 HB VAL A 39 -4.812 -7.788 2.644 1.00 11.21 H new ATOM 0 HG11 VAL A 39 -3.024 -6.120 3.146 1.00 31.22 H new ATOM 0 HG12 VAL A 39 -4.557 -5.346 2.677 1.00 31.22 H new ATOM 0 HG13 VAL A 39 -4.072 -5.394 4.389 1.00 31.22 H new ATOM 0 HG21 VAL A 39 -2.994 -8.298 4.286 1.00 63.14 H new ATOM 0 HG22 VAL A 39 -4.048 -7.730 5.603 1.00 63.14 H new ATOM 0 HG23 VAL A 39 -4.501 -9.169 4.659 1.00 63.14 H new ATOM 618 N LEU A 40 -7.246 -6.519 1.836 1.00 3.24 N ATOM 619 CA LEU A 40 -7.852 -5.618 0.823 1.00 63.41 C ATOM 620 C LEU A 40 -9.286 -5.213 1.228 1.00 65.13 C ATOM 621 O LEU A 40 -9.719 -4.089 0.962 1.00 24.43 O ATOM 622 CB LEU A 40 -7.839 -6.287 -0.584 1.00 64.15 C ATOM 623 CG LEU A 40 -8.831 -7.498 -0.809 1.00 25.32 C ATOM 624 CD1 LEU A 40 -10.166 -7.062 -1.469 1.00 25.43 C ATOM 625 CD2 LEU A 40 -8.177 -8.638 -1.598 1.00 61.33 C ATOM 0 H LEU A 40 -7.037 -7.457 1.493 1.00 3.24 H new ATOM 0 HA LEU A 40 -7.251 -4.710 0.774 1.00 63.41 H new ATOM 0 HB2 LEU A 40 -8.065 -5.521 -1.326 1.00 64.15 H new ATOM 0 HB3 LEU A 40 -6.826 -6.636 -0.784 1.00 64.15 H new ATOM 0 HG LEU A 40 -9.072 -7.875 0.185 1.00 25.32 H new ATOM 0 HD11 LEU A 40 -10.809 -7.933 -1.600 1.00 25.43 H new ATOM 0 HD12 LEU A 40 -10.667 -6.334 -0.831 1.00 25.43 H new ATOM 0 HD13 LEU A 40 -9.962 -6.613 -2.441 1.00 25.43 H new ATOM 0 HD21 LEU A 40 -8.894 -9.448 -1.729 1.00 61.33 H new ATOM 0 HD22 LEU A 40 -7.862 -8.271 -2.575 1.00 61.33 H new ATOM 0 HD23 LEU A 40 -7.309 -9.007 -1.052 1.00 61.33 H new ATOM 637 N ASP A 41 -9.978 -6.149 1.917 1.00 62.11 N ATOM 638 CA ASP A 41 -11.400 -6.023 2.284 1.00 1.44 C ATOM 639 C ASP A 41 -11.623 -4.912 3.325 1.00 70.24 C ATOM 640 O ASP A 41 -12.649 -4.234 3.299 1.00 1.42 O ATOM 641 CB ASP A 41 -11.948 -7.391 2.785 1.00 53.32 C ATOM 642 CG ASP A 41 -13.471 -7.390 3.034 1.00 74.20 C ATOM 643 OD1 ASP A 41 -13.911 -7.577 4.193 1.00 15.34 O ATOM 644 OD2 ASP A 41 -14.234 -7.195 2.062 1.00 13.21 O ATOM 0 H ASP A 41 -9.556 -7.021 2.236 1.00 62.11 H new ATOM 0 HA ASP A 41 -11.957 -5.735 1.392 1.00 1.44 H new ATOM 0 HB2 ASP A 41 -11.708 -8.160 2.051 1.00 53.32 H new ATOM 0 HB3 ASP A 41 -11.437 -7.662 3.709 1.00 53.32 H new ATOM 649 N GLN A 42 -10.648 -4.727 4.229 1.00 33.54 N ATOM 650 CA GLN A 42 -10.669 -3.627 5.215 1.00 53.25 C ATOM 651 C GLN A 42 -10.075 -2.326 4.610 1.00 5.22 C ATOM 652 O GLN A 42 -10.573 -1.231 4.899 1.00 63.43 O ATOM 653 CB GLN A 42 -9.914 -4.043 6.518 1.00 52.33 C ATOM 654 CG GLN A 42 -8.462 -4.509 6.296 1.00 34.30 C ATOM 655 CD GLN A 42 -7.689 -4.879 7.563 1.00 52.55 C ATOM 656 OE1 GLN A 42 -8.259 -5.315 8.567 1.00 2.15 O ATOM 657 NE2 GLN A 42 -6.368 -4.748 7.502 1.00 14.20 N ATOM 0 H GLN A 42 -9.828 -5.329 4.300 1.00 33.54 H new ATOM 0 HA GLN A 42 -11.707 -3.423 5.478 1.00 53.25 H new ATOM 0 HB2 GLN A 42 -9.909 -3.197 7.205 1.00 52.33 H new ATOM 0 HB3 GLN A 42 -10.469 -4.845 7.004 1.00 52.33 H new ATOM 0 HG2 GLN A 42 -8.474 -5.374 5.633 1.00 34.30 H new ATOM 0 HG3 GLN A 42 -7.920 -3.718 5.778 1.00 34.30 H new ATOM 0 HE21 GLN A 42 -5.930 -4.384 6.656 1.00 14.20 H new ATOM 0 HE22 GLN A 42 -5.792 -5.012 8.301 1.00 14.20 H new ATOM 666 N VAL A 43 -9.027 -2.460 3.759 1.00 51.12 N ATOM 667 CA VAL A 43 -8.321 -1.304 3.136 1.00 52.42 C ATOM 668 C VAL A 43 -9.272 -0.471 2.251 1.00 61.43 C ATOM 669 O VAL A 43 -9.224 0.751 2.290 1.00 43.41 O ATOM 670 CB VAL A 43 -7.037 -1.760 2.307 1.00 43.10 C ATOM 671 CG1 VAL A 43 -6.480 -0.642 1.379 1.00 33.54 C ATOM 672 CG2 VAL A 43 -5.917 -2.265 3.254 1.00 22.43 C ATOM 0 H VAL A 43 -8.647 -3.366 3.484 1.00 51.12 H new ATOM 0 HA VAL A 43 -7.976 -0.672 3.954 1.00 52.42 H new ATOM 0 HB VAL A 43 -7.368 -2.576 1.665 1.00 43.10 H new ATOM 0 HG11 VAL A 43 -5.607 -1.015 0.843 1.00 33.54 H new ATOM 0 HG12 VAL A 43 -7.247 -0.348 0.663 1.00 33.54 H new ATOM 0 HG13 VAL A 43 -6.195 0.221 1.980 1.00 33.54 H new ATOM 0 HG21 VAL A 43 -5.052 -2.570 2.665 1.00 22.43 H new ATOM 0 HG22 VAL A 43 -5.628 -1.464 3.935 1.00 22.43 H new ATOM 0 HG23 VAL A 43 -6.283 -3.116 3.829 1.00 22.43 H new ATOM 682 N ARG A 44 -10.158 -1.152 1.501 1.00 5.25 N ATOM 683 CA ARG A 44 -11.111 -0.497 0.565 1.00 11.45 C ATOM 684 C ARG A 44 -12.183 0.338 1.318 1.00 21.34 C ATOM 685 O ARG A 44 -12.784 1.246 0.741 1.00 41.12 O ATOM 686 CB ARG A 44 -11.775 -1.571 -0.349 1.00 22.53 C ATOM 687 CG ARG A 44 -12.637 -2.609 0.408 1.00 75.34 C ATOM 688 CD ARG A 44 -12.972 -3.873 -0.418 1.00 74.34 C ATOM 689 NE ARG A 44 -13.812 -3.599 -1.599 1.00 64.32 N ATOM 690 CZ ARG A 44 -14.525 -4.521 -2.283 1.00 41.00 C ATOM 691 NH1 ARG A 44 -14.517 -5.810 -1.933 1.00 61.14 N ATOM 692 NH2 ARG A 44 -15.243 -4.138 -3.327 1.00 71.02 N ATOM 0 H ARG A 44 -10.239 -2.169 1.521 1.00 5.25 H new ATOM 0 HA ARG A 44 -10.550 0.201 -0.057 1.00 11.45 H new ATOM 0 HB2 ARG A 44 -12.399 -1.067 -1.087 1.00 22.53 H new ATOM 0 HB3 ARG A 44 -10.994 -2.097 -0.898 1.00 22.53 H new ATOM 0 HG2 ARG A 44 -12.112 -2.909 1.315 1.00 75.34 H new ATOM 0 HG3 ARG A 44 -13.567 -2.135 0.720 1.00 75.34 H new ATOM 0 HD2 ARG A 44 -12.043 -4.341 -0.744 1.00 74.34 H new ATOM 0 HD3 ARG A 44 -13.483 -4.591 0.223 1.00 74.34 H new ATOM 0 HE ARG A 44 -13.859 -2.634 -1.926 1.00 64.32 H new ATOM 0 HH11 ARG A 44 -13.964 -6.118 -1.133 1.00 61.14 H new ATOM 0 HH12 ARG A 44 -15.064 -6.486 -2.466 1.00 61.14 H new ATOM 0 HH21 ARG A 44 -15.254 -3.157 -3.607 1.00 71.02 H new ATOM 0 HH22 ARG A 44 -15.786 -4.824 -3.852 1.00 71.02 H new ATOM 706 N GLU A 45 -12.402 0.007 2.610 1.00 44.01 N ATOM 707 CA GLU A 45 -13.371 0.703 3.494 1.00 5.02 C ATOM 708 C GLU A 45 -12.712 1.926 4.169 1.00 2.13 C ATOM 709 O GLU A 45 -13.300 3.009 4.231 1.00 64.33 O ATOM 710 CB GLU A 45 -13.902 -0.283 4.564 1.00 74.45 C ATOM 711 CG GLU A 45 -14.455 -1.613 3.991 1.00 70.41 C ATOM 712 CD GLU A 45 -14.824 -2.663 5.062 1.00 62.41 C ATOM 713 OE1 GLU A 45 -15.639 -3.564 4.771 1.00 23.24 O ATOM 714 OE2 GLU A 45 -14.303 -2.602 6.197 1.00 42.43 O ATOM 0 H GLU A 45 -11.909 -0.756 3.074 1.00 44.01 H new ATOM 0 HA GLU A 45 -14.206 1.058 2.890 1.00 5.02 H new ATOM 0 HB2 GLU A 45 -13.097 -0.510 5.263 1.00 74.45 H new ATOM 0 HB3 GLU A 45 -14.690 0.209 5.134 1.00 74.45 H new ATOM 0 HG2 GLU A 45 -15.339 -1.397 3.392 1.00 70.41 H new ATOM 0 HG3 GLU A 45 -13.712 -2.042 3.319 1.00 70.41 H new ATOM 721 N HIS A 46 -11.474 1.731 4.679 1.00 60.05 N ATOM 722 CA HIS A 46 -10.669 2.816 5.303 1.00 34.31 C ATOM 723 C HIS A 46 -10.217 3.847 4.246 1.00 13.53 C ATOM 724 O HIS A 46 -9.939 5.006 4.565 1.00 11.43 O ATOM 725 CB HIS A 46 -9.429 2.235 6.029 1.00 25.32 C ATOM 726 CG HIS A 46 -9.754 1.298 7.172 1.00 74.31 C ATOM 727 ND1 HIS A 46 -9.457 -0.046 7.147 1.00 11.54 N ATOM 728 CD2 HIS A 46 -10.333 1.522 8.383 1.00 15.54 C ATOM 729 CE1 HIS A 46 -9.838 -0.605 8.274 1.00 25.42 C ATOM 730 NE2 HIS A 46 -10.373 0.319 9.043 1.00 23.11 N ATOM 0 H HIS A 46 -11.004 0.826 4.672 1.00 60.05 H new ATOM 0 HA HIS A 46 -11.304 3.318 6.034 1.00 34.31 H new ATOM 0 HB2 HIS A 46 -8.815 1.703 5.303 1.00 25.32 H new ATOM 0 HB3 HIS A 46 -8.828 3.060 6.412 1.00 25.32 H new ATOM 0 HD1 HIS A 46 -9.009 -0.534 6.371 1.00 11.54 H new ATOM 0 HD2 HIS A 46 -10.694 2.469 8.755 1.00 15.54 H new ATOM 0 HE1 HIS A 46 -9.730 -1.649 8.527 1.00 25.42 H new ATOM 739 N ALA A 47 -10.151 3.375 2.993 1.00 14.21 N ATOM 740 CA ALA A 47 -9.864 4.179 1.797 1.00 21.31 C ATOM 741 C ALA A 47 -10.867 5.324 1.635 1.00 55.13 C ATOM 742 O ALA A 47 -10.509 6.460 1.314 1.00 71.01 O ATOM 743 CB ALA A 47 -9.938 3.257 0.577 1.00 40.15 C ATOM 0 H ALA A 47 -10.301 2.389 2.777 1.00 14.21 H new ATOM 0 HA ALA A 47 -8.873 4.622 1.895 1.00 21.31 H new ATOM 0 HB1 ALA A 47 -9.728 3.831 -0.326 1.00 40.15 H new ATOM 0 HB2 ALA A 47 -9.203 2.459 0.679 1.00 40.15 H new ATOM 0 HB3 ALA A 47 -10.936 2.824 0.508 1.00 40.15 H new ATOM 749 N ARG A 48 -12.132 4.978 1.903 1.00 54.12 N ATOM 750 CA ARG A 48 -13.285 5.866 1.748 1.00 71.12 C ATOM 751 C ARG A 48 -13.184 7.095 2.673 1.00 2.10 C ATOM 752 O ARG A 48 -13.700 8.150 2.340 1.00 44.12 O ATOM 753 CB ARG A 48 -14.580 5.056 2.030 1.00 34.03 C ATOM 754 CG ARG A 48 -14.750 3.822 1.107 1.00 3.23 C ATOM 755 CD ARG A 48 -15.903 2.884 1.518 1.00 20.22 C ATOM 756 NE ARG A 48 -15.926 1.682 0.661 1.00 52.20 N ATOM 757 CZ ARG A 48 -16.646 0.568 0.882 1.00 74.03 C ATOM 758 NH1 ARG A 48 -17.430 0.448 1.955 1.00 65.45 N ATOM 759 NH2 ARG A 48 -16.569 -0.433 0.012 1.00 21.34 N ATOM 0 H ARG A 48 -12.386 4.050 2.242 1.00 54.12 H new ATOM 0 HA ARG A 48 -13.308 6.247 0.727 1.00 71.12 H new ATOM 0 HB2 ARG A 48 -14.573 4.725 3.069 1.00 34.03 H new ATOM 0 HB3 ARG A 48 -15.443 5.711 1.910 1.00 34.03 H new ATOM 0 HG2 ARG A 48 -14.921 4.165 0.087 1.00 3.23 H new ATOM 0 HG3 ARG A 48 -13.819 3.255 1.101 1.00 3.23 H new ATOM 0 HD2 ARG A 48 -15.786 2.591 2.561 1.00 20.22 H new ATOM 0 HD3 ARG A 48 -16.854 3.411 1.439 1.00 20.22 H new ATOM 0 HE ARG A 48 -15.342 1.698 -0.175 1.00 52.20 H new ATOM 0 HH11 ARG A 48 -17.492 1.211 2.629 1.00 65.45 H new ATOM 0 HH12 ARG A 48 -17.967 -0.407 2.101 1.00 65.45 H new ATOM 0 HH21 ARG A 48 -15.970 -0.350 -0.809 1.00 21.34 H new ATOM 0 HH22 ARG A 48 -17.109 -1.285 0.165 1.00 21.34 H new ATOM 773 N GLU A 49 -12.480 6.945 3.809 1.00 64.04 N ATOM 774 CA GLU A 49 -12.319 8.022 4.808 1.00 64.11 C ATOM 775 C GLU A 49 -11.410 9.150 4.265 1.00 23.33 C ATOM 776 O GLU A 49 -11.691 10.336 4.462 1.00 24.44 O ATOM 777 CB GLU A 49 -11.751 7.437 6.133 1.00 3.11 C ATOM 778 CG GLU A 49 -12.525 6.215 6.684 1.00 11.23 C ATOM 779 CD GLU A 49 -14.033 6.479 6.883 1.00 61.23 C ATOM 780 OE1 GLU A 49 -14.434 6.956 7.971 1.00 44.54 O ATOM 781 OE2 GLU A 49 -14.825 6.209 5.950 1.00 41.42 O ATOM 0 H GLU A 49 -12.007 6.077 4.062 1.00 64.04 H new ATOM 0 HA GLU A 49 -13.297 8.458 5.011 1.00 64.11 H new ATOM 0 HB2 GLU A 49 -10.712 7.149 5.971 1.00 3.11 H new ATOM 0 HB3 GLU A 49 -11.751 8.221 6.890 1.00 3.11 H new ATOM 0 HG2 GLU A 49 -12.398 5.376 6.000 1.00 11.23 H new ATOM 0 HG3 GLU A 49 -12.088 5.918 7.637 1.00 11.23 H new ATOM 788 N LEU A 50 -10.333 8.752 3.561 1.00 4.52 N ATOM 789 CA LEU A 50 -9.373 9.688 2.930 1.00 13.10 C ATOM 790 C LEU A 50 -9.980 10.320 1.663 1.00 54.41 C ATOM 791 O LEU A 50 -9.695 11.481 1.328 1.00 70.44 O ATOM 792 CB LEU A 50 -8.050 8.936 2.612 1.00 54.12 C ATOM 793 CG LEU A 50 -7.326 8.316 3.853 1.00 0.24 C ATOM 794 CD1 LEU A 50 -6.070 7.530 3.440 1.00 22.32 C ATOM 795 CD2 LEU A 50 -6.982 9.402 4.895 1.00 71.10 C ATOM 0 H LEU A 50 -10.101 7.770 3.411 1.00 4.52 H new ATOM 0 HA LEU A 50 -9.153 10.500 3.623 1.00 13.10 H new ATOM 0 HB2 LEU A 50 -8.265 8.139 1.900 1.00 54.12 H new ATOM 0 HB3 LEU A 50 -7.366 9.627 2.119 1.00 54.12 H new ATOM 0 HG LEU A 50 -8.017 7.611 4.316 1.00 0.24 H new ATOM 0 HD11 LEU A 50 -5.593 7.114 4.327 1.00 22.32 H new ATOM 0 HD12 LEU A 50 -6.352 6.721 2.766 1.00 22.32 H new ATOM 0 HD13 LEU A 50 -5.373 8.198 2.933 1.00 22.32 H new ATOM 0 HD21 LEU A 50 -6.480 8.943 5.747 1.00 71.10 H new ATOM 0 HD22 LEU A 50 -6.325 10.145 4.443 1.00 71.10 H new ATOM 0 HD23 LEU A 50 -7.899 9.886 5.232 1.00 71.10 H new ATOM 807 N GLN A 51 -10.838 9.535 0.989 1.00 34.32 N ATOM 808 CA GLN A 51 -11.614 9.977 -0.183 1.00 53.41 C ATOM 809 C GLN A 51 -12.636 11.080 0.207 1.00 54.02 C ATOM 810 O GLN A 51 -12.813 12.050 -0.537 1.00 55.54 O ATOM 811 CB GLN A 51 -12.334 8.756 -0.812 1.00 14.10 C ATOM 812 CG GLN A 51 -13.255 9.088 -2.006 1.00 1.12 C ATOM 813 CD GLN A 51 -14.068 7.902 -2.532 1.00 54.25 C ATOM 814 OE1 GLN A 51 -14.444 6.968 -1.662 1.00 31.05 O flip ATOM 815 NE2 GLN A 51 -14.388 7.839 -3.718 1.00 61.21 N flip ATOM 0 H GLN A 51 -11.014 8.564 1.246 1.00 34.32 H new ATOM 0 HA GLN A 51 -10.933 10.409 -0.916 1.00 53.41 H new ATOM 0 HB2 GLN A 51 -11.582 8.039 -1.141 1.00 14.10 H new ATOM 0 HB3 GLN A 51 -12.927 8.265 -0.040 1.00 14.10 H new ATOM 0 HG2 GLN A 51 -13.943 9.880 -1.709 1.00 1.12 H new ATOM 0 HG3 GLN A 51 -12.646 9.483 -2.819 1.00 1.12 H new ATOM 0 HE21 GLN A 51 -14.088 8.567 -4.367 1.00 61.21 H new ATOM 0 HE22 GLN A 51 -14.953 7.059 -4.053 1.00 61.21 H new ATOM 824 N LYS A 52 -13.291 10.913 1.383 1.00 62.22 N ATOM 825 CA LYS A 52 -14.251 11.912 1.939 1.00 2.42 C ATOM 826 C LYS A 52 -13.568 13.276 2.153 1.00 53.24 C ATOM 827 O LYS A 52 -14.144 14.332 1.877 1.00 51.34 O ATOM 828 CB LYS A 52 -14.832 11.421 3.295 1.00 42.34 C ATOM 829 CG LYS A 52 -15.802 10.228 3.204 1.00 60.33 C ATOM 830 CD LYS A 52 -16.164 9.661 4.596 1.00 23.45 C ATOM 831 CE LYS A 52 -17.101 8.450 4.515 1.00 75.50 C ATOM 832 NZ LYS A 52 -16.486 7.319 3.766 1.00 43.12 N ATOM 0 H LYS A 52 -13.173 10.089 1.973 1.00 62.22 H new ATOM 0 HA LYS A 52 -15.058 12.025 1.216 1.00 2.42 H new ATOM 0 HB2 LYS A 52 -14.004 11.145 3.947 1.00 42.34 H new ATOM 0 HB3 LYS A 52 -15.350 12.253 3.772 1.00 42.34 H new ATOM 0 HG2 LYS A 52 -16.713 10.541 2.693 1.00 60.33 H new ATOM 0 HG3 LYS A 52 -15.351 9.441 2.599 1.00 60.33 H new ATOM 0 HD2 LYS A 52 -15.250 9.374 5.116 1.00 23.45 H new ATOM 0 HD3 LYS A 52 -16.637 10.443 5.191 1.00 23.45 H new ATOM 0 HE2 LYS A 52 -17.357 8.121 5.522 1.00 75.50 H new ATOM 0 HE3 LYS A 52 -18.032 8.743 4.029 1.00 75.50 H new ATOM 0 HZ1 LYS A 52 -17.152 6.521 3.734 1.00 43.12 H new ATOM 0 HZ2 LYS A 52 -16.265 7.624 2.797 1.00 43.12 H new ATOM 0 HZ3 LYS A 52 -15.611 7.021 4.243 1.00 43.12 H new ATOM 846 N GLN A 53 -12.323 13.214 2.653 1.00 3.11 N ATOM 847 CA GLN A 53 -11.498 14.403 2.943 1.00 30.21 C ATOM 848 C GLN A 53 -10.998 15.074 1.649 1.00 52.12 C ATOM 849 O GLN A 53 -10.479 16.193 1.694 1.00 34.41 O ATOM 850 CB GLN A 53 -10.318 13.998 3.863 1.00 14.23 C ATOM 851 CG GLN A 53 -10.767 13.371 5.194 1.00 32.53 C ATOM 852 CD GLN A 53 -9.605 12.924 6.070 1.00 53.32 C ATOM 853 OE1 GLN A 53 -9.168 11.689 5.890 1.00 4.33 O flip ATOM 854 NE2 GLN A 53 -9.097 13.688 6.893 1.00 71.14 N flip ATOM 0 H GLN A 53 -11.856 12.333 2.869 1.00 3.11 H new ATOM 0 HA GLN A 53 -12.113 15.140 3.460 1.00 30.21 H new ATOM 0 HB2 GLN A 53 -9.681 13.290 3.333 1.00 14.23 H new ATOM 0 HB3 GLN A 53 -9.711 14.879 4.072 1.00 14.23 H new ATOM 0 HG2 GLN A 53 -11.370 14.094 5.743 1.00 32.53 H new ATOM 0 HG3 GLN A 53 -11.407 12.514 4.986 1.00 32.53 H new ATOM 0 HE21 GLN A 53 -9.462 14.634 7.004 1.00 71.14 H new ATOM 0 HE22 GLN A 53 -8.312 13.374 7.464 1.00 71.14 H new ATOM 863 N GLY A 54 -11.160 14.362 0.508 1.00 25.42 N ATOM 864 CA GLY A 54 -10.860 14.899 -0.822 1.00 61.43 C ATOM 865 C GLY A 54 -9.387 15.196 -1.032 1.00 75.14 C ATOM 866 O GLY A 54 -9.030 16.126 -1.767 1.00 61.35 O ATOM 0 H GLY A 54 -11.502 13.401 0.494 1.00 25.42 H new ATOM 0 HA2 GLY A 54 -11.191 14.186 -1.577 1.00 61.43 H new ATOM 0 HA3 GLY A 54 -11.433 15.814 -0.975 1.00 61.43 H new ATOM 870 N ILE A 55 -8.533 14.411 -0.359 1.00 53.41 N ATOM 871 CA ILE A 55 -7.082 14.560 -0.439 1.00 0.33 C ATOM 872 C ILE A 55 -6.605 14.004 -1.791 1.00 31.14 C ATOM 873 O ILE A 55 -6.696 12.797 -2.033 1.00 33.32 O ATOM 874 CB ILE A 55 -6.349 13.824 0.753 1.00 21.10 C ATOM 875 CG1 ILE A 55 -6.906 14.323 2.126 1.00 62.05 C ATOM 876 CG2 ILE A 55 -4.812 14.024 0.671 1.00 74.01 C ATOM 877 CD1 ILE A 55 -6.346 13.612 3.350 1.00 5.52 C ATOM 0 H ILE A 55 -8.835 13.655 0.256 1.00 53.41 H new ATOM 0 HA ILE A 55 -6.832 15.618 -0.359 1.00 0.33 H new ATOM 0 HB ILE A 55 -6.548 12.756 0.669 1.00 21.10 H new ATOM 0 HG12 ILE A 55 -6.698 15.389 2.218 1.00 62.05 H new ATOM 0 HG13 ILE A 55 -7.990 14.208 2.123 1.00 62.05 H new ATOM 0 HG21 ILE A 55 -4.333 13.507 1.503 1.00 74.01 H new ATOM 0 HG22 ILE A 55 -4.442 13.617 -0.270 1.00 74.01 H new ATOM 0 HG23 ILE A 55 -4.580 15.088 0.723 1.00 74.01 H new ATOM 0 HD11 ILE A 55 -6.795 14.031 4.251 1.00 5.52 H new ATOM 0 HD12 ILE A 55 -6.577 12.548 3.290 1.00 5.52 H new ATOM 0 HD13 ILE A 55 -5.265 13.747 3.387 1.00 5.52 H new ATOM 889 N HIS A 56 -6.176 14.901 -2.693 1.00 14.13 N ATOM 890 CA HIS A 56 -5.559 14.502 -3.962 1.00 42.44 C ATOM 891 C HIS A 56 -4.067 14.244 -3.704 1.00 45.21 C ATOM 892 O HIS A 56 -3.309 15.185 -3.471 1.00 12.04 O ATOM 893 CB HIS A 56 -5.744 15.611 -5.039 1.00 11.13 C ATOM 894 CG HIS A 56 -7.161 15.796 -5.528 1.00 65.44 C ATOM 895 ND1 HIS A 56 -7.536 15.584 -6.837 1.00 73.54 N ATOM 896 CD2 HIS A 56 -8.281 16.214 -4.892 1.00 62.25 C ATOM 897 CE1 HIS A 56 -8.812 15.865 -6.980 1.00 63.21 C ATOM 898 NE2 HIS A 56 -9.291 16.250 -5.817 1.00 33.33 N ATOM 0 H HIS A 56 -6.247 15.910 -2.563 1.00 14.13 H new ATOM 0 HA HIS A 56 -6.037 13.598 -4.340 1.00 42.44 H new ATOM 0 HB2 HIS A 56 -5.391 16.557 -4.629 1.00 11.13 H new ATOM 0 HB3 HIS A 56 -5.109 15.377 -5.893 1.00 11.13 H new ATOM 0 HD2 HIS A 56 -8.363 16.472 -3.846 1.00 62.25 H new ATOM 0 HE1 HIS A 56 -9.374 15.792 -7.899 1.00 63.21 H new ATOM 0 HE2 HIS A 56 -10.255 16.529 -5.634 1.00 33.33 H new ATOM 907 N PHE A 57 -3.655 12.973 -3.754 1.00 5.44 N ATOM 908 CA PHE A 57 -2.263 12.562 -3.503 1.00 63.40 C ATOM 909 C PHE A 57 -1.842 11.541 -4.561 1.00 71.44 C ATOM 910 O PHE A 57 -2.634 10.672 -4.940 1.00 73.42 O ATOM 911 CB PHE A 57 -2.095 11.994 -2.060 1.00 12.14 C ATOM 912 CG PHE A 57 -2.952 10.764 -1.734 1.00 63.33 C ATOM 913 CD1 PHE A 57 -2.434 9.472 -1.838 1.00 54.35 C ATOM 914 CD2 PHE A 57 -4.282 10.904 -1.336 1.00 72.33 C ATOM 915 CE1 PHE A 57 -3.214 8.367 -1.555 1.00 61.21 C ATOM 916 CE2 PHE A 57 -5.061 9.800 -1.053 1.00 2.14 C ATOM 917 CZ PHE A 57 -4.524 8.537 -1.166 1.00 0.34 C ATOM 0 H PHE A 57 -4.278 12.195 -3.970 1.00 5.44 H new ATOM 0 HA PHE A 57 -1.612 13.433 -3.576 1.00 63.40 H new ATOM 0 HB2 PHE A 57 -1.047 11.736 -1.909 1.00 12.14 H new ATOM 0 HB3 PHE A 57 -2.335 12.783 -1.347 1.00 12.14 H new ATOM 0 HD1 PHE A 57 -1.408 9.334 -2.144 1.00 54.35 H new ATOM 0 HD2 PHE A 57 -4.709 11.892 -1.248 1.00 72.33 H new ATOM 0 HE1 PHE A 57 -2.798 7.374 -1.639 1.00 61.21 H new ATOM 0 HE2 PHE A 57 -6.088 9.926 -0.744 1.00 2.14 H new ATOM 0 HZ PHE A 57 -5.135 7.673 -0.948 1.00 0.34 H new ATOM 927 N GLU A 58 -0.600 11.654 -5.031 1.00 74.23 N ATOM 928 CA GLU A 58 -0.052 10.786 -6.076 1.00 71.10 C ATOM 929 C GLU A 58 1.336 10.293 -5.664 1.00 12.31 C ATOM 930 O GLU A 58 2.090 11.017 -4.992 1.00 15.21 O ATOM 931 CB GLU A 58 0.022 11.543 -7.430 1.00 22.34 C ATOM 932 CG GLU A 58 0.453 10.685 -8.641 1.00 31.24 C ATOM 933 CD GLU A 58 -0.504 9.521 -8.947 1.00 14.35 C ATOM 934 OE1 GLU A 58 -0.302 8.405 -8.407 1.00 1.11 O ATOM 935 OE2 GLU A 58 -1.476 9.715 -9.710 1.00 61.05 O ATOM 0 H GLU A 58 0.060 12.355 -4.695 1.00 74.23 H new ATOM 0 HA GLU A 58 -0.711 9.927 -6.202 1.00 71.10 H new ATOM 0 HB2 GLU A 58 -0.957 11.974 -7.641 1.00 22.34 H new ATOM 0 HB3 GLU A 58 0.721 12.373 -7.326 1.00 22.34 H new ATOM 0 HG2 GLU A 58 0.525 11.325 -9.521 1.00 31.24 H new ATOM 0 HG3 GLU A 58 1.450 10.285 -8.455 1.00 31.24 H new ATOM 942 N VAL A 59 1.639 9.051 -6.083 1.00 3.31 N ATOM 943 CA VAL A 59 2.924 8.390 -5.861 1.00 11.21 C ATOM 944 C VAL A 59 4.055 9.201 -6.518 1.00 25.31 C ATOM 945 O VAL A 59 4.059 9.393 -7.741 1.00 70.14 O ATOM 946 CB VAL A 59 2.898 6.924 -6.445 1.00 13.22 C ATOM 947 CG1 VAL A 59 4.273 6.234 -6.302 1.00 52.14 C ATOM 948 CG2 VAL A 59 1.778 6.074 -5.788 1.00 1.30 C ATOM 0 H VAL A 59 0.976 8.471 -6.597 1.00 3.31 H new ATOM 0 HA VAL A 59 3.106 8.333 -4.788 1.00 11.21 H new ATOM 0 HB VAL A 59 2.676 7.003 -7.509 1.00 13.22 H new ATOM 0 HG11 VAL A 59 4.219 5.226 -6.714 1.00 52.14 H new ATOM 0 HG12 VAL A 59 5.026 6.807 -6.843 1.00 52.14 H new ATOM 0 HG13 VAL A 59 4.545 6.181 -5.248 1.00 52.14 H new ATOM 0 HG21 VAL A 59 1.787 5.070 -6.212 1.00 1.30 H new ATOM 0 HG22 VAL A 59 1.949 6.015 -4.713 1.00 1.30 H new ATOM 0 HG23 VAL A 59 0.810 6.539 -5.977 1.00 1.30 H new ATOM 958 N LYS A 60 4.969 9.715 -5.685 1.00 12.32 N ATOM 959 CA LYS A 60 6.164 10.437 -6.143 1.00 54.24 C ATOM 960 C LYS A 60 7.309 9.444 -6.374 1.00 71.21 C ATOM 961 O LYS A 60 7.871 9.350 -7.470 1.00 40.23 O ATOM 962 CB LYS A 60 6.611 11.497 -5.086 1.00 52.34 C ATOM 963 CG LYS A 60 5.511 12.467 -4.610 1.00 1.55 C ATOM 964 CD LYS A 60 4.770 13.173 -5.759 1.00 21.24 C ATOM 965 CE LYS A 60 5.669 14.064 -6.631 1.00 71.53 C ATOM 966 NZ LYS A 60 4.907 14.680 -7.755 1.00 55.13 N ATOM 0 H LYS A 60 4.900 9.642 -4.670 1.00 12.32 H new ATOM 0 HA LYS A 60 5.920 10.949 -7.074 1.00 54.24 H new ATOM 0 HB2 LYS A 60 7.009 10.972 -4.217 1.00 52.34 H new ATOM 0 HB3 LYS A 60 7.429 12.082 -5.507 1.00 52.34 H new ATOM 0 HG2 LYS A 60 4.789 11.916 -4.008 1.00 1.55 H new ATOM 0 HG3 LYS A 60 5.959 13.220 -3.961 1.00 1.55 H new ATOM 0 HD2 LYS A 60 4.300 12.420 -6.391 1.00 21.24 H new ATOM 0 HD3 LYS A 60 3.969 13.782 -5.340 1.00 21.24 H new ATOM 0 HE2 LYS A 60 6.110 14.849 -6.017 1.00 71.53 H new ATOM 0 HE3 LYS A 60 6.492 13.471 -7.030 1.00 71.53 H new ATOM 0 HZ1 LYS A 60 5.378 15.558 -8.054 1.00 55.13 H new ATOM 0 HZ2 LYS A 60 4.871 14.016 -8.555 1.00 55.13 H new ATOM 0 HZ3 LYS A 60 3.939 14.896 -7.441 1.00 55.13 H new ATOM 980 N ARG A 61 7.603 8.672 -5.324 1.00 13.31 N ATOM 981 CA ARG A 61 8.829 7.867 -5.217 1.00 24.21 C ATOM 982 C ARG A 61 8.482 6.500 -4.610 1.00 42.00 C ATOM 983 O ARG A 61 7.833 6.460 -3.578 1.00 23.03 O ATOM 984 CB ARG A 61 9.825 8.639 -4.291 1.00 71.44 C ATOM 985 CG ARG A 61 11.236 8.016 -4.098 1.00 54.41 C ATOM 986 CD ARG A 61 12.211 8.300 -5.260 1.00 61.30 C ATOM 987 NE ARG A 61 11.872 7.579 -6.506 1.00 12.12 N ATOM 988 CZ ARG A 61 12.708 6.768 -7.183 1.00 41.31 C ATOM 989 NH1 ARG A 61 13.953 6.557 -6.760 1.00 74.14 N ATOM 990 NH2 ARG A 61 12.292 6.173 -8.290 1.00 4.41 N ATOM 0 H ARG A 61 6.991 8.586 -4.513 1.00 13.31 H new ATOM 0 HA ARG A 61 9.281 7.706 -6.196 1.00 24.21 H new ATOM 0 HB2 ARG A 61 9.951 9.645 -4.692 1.00 71.44 H new ATOM 0 HB3 ARG A 61 9.363 8.743 -3.309 1.00 71.44 H new ATOM 0 HG2 ARG A 61 11.668 8.399 -3.173 1.00 54.41 H new ATOM 0 HG3 ARG A 61 11.133 6.937 -3.979 1.00 54.41 H new ATOM 0 HD2 ARG A 61 12.221 9.371 -5.461 1.00 61.30 H new ATOM 0 HD3 ARG A 61 13.220 8.024 -4.953 1.00 61.30 H new ATOM 0 HE ARG A 61 10.932 7.706 -6.882 1.00 12.12 H new ATOM 0 HH11 ARG A 61 14.287 7.013 -5.911 1.00 74.14 H new ATOM 0 HH12 ARG A 61 14.572 5.940 -7.285 1.00 74.14 H new ATOM 0 HH21 ARG A 61 11.342 6.329 -8.627 1.00 4.41 H new ATOM 0 HH22 ARG A 61 12.921 5.558 -8.806 1.00 4.41 H new ATOM 1004 N VAL A 62 8.879 5.401 -5.279 1.00 72.55 N ATOM 1005 CA VAL A 62 8.825 4.026 -4.724 1.00 52.20 C ATOM 1006 C VAL A 62 10.237 3.449 -4.766 1.00 35.23 C ATOM 1007 O VAL A 62 10.811 3.306 -5.853 1.00 4.44 O ATOM 1008 CB VAL A 62 7.852 3.057 -5.522 1.00 31.45 C ATOM 1009 CG1 VAL A 62 7.893 1.605 -4.967 1.00 61.50 C ATOM 1010 CG2 VAL A 62 6.413 3.596 -5.507 1.00 40.44 C ATOM 0 H VAL A 62 9.250 5.438 -6.228 1.00 72.55 H new ATOM 0 HA VAL A 62 8.433 4.095 -3.709 1.00 52.20 H new ATOM 0 HB VAL A 62 8.205 3.025 -6.553 1.00 31.45 H new ATOM 0 HG11 VAL A 62 7.213 0.976 -5.542 1.00 61.50 H new ATOM 0 HG12 VAL A 62 8.907 1.213 -5.049 1.00 61.50 H new ATOM 0 HG13 VAL A 62 7.588 1.607 -3.920 1.00 61.50 H new ATOM 0 HG21 VAL A 62 5.764 2.916 -6.059 1.00 40.44 H new ATOM 0 HG22 VAL A 62 6.064 3.674 -4.477 1.00 40.44 H new ATOM 0 HG23 VAL A 62 6.388 4.581 -5.974 1.00 40.44 H new ATOM 1020 N GLU A 63 10.803 3.159 -3.591 1.00 53.54 N ATOM 1021 CA GLU A 63 12.101 2.487 -3.455 1.00 72.34 C ATOM 1022 C GLU A 63 11.947 1.326 -2.462 1.00 30.15 C ATOM 1023 O GLU A 63 11.782 1.539 -1.255 1.00 44.11 O ATOM 1024 CB GLU A 63 13.195 3.497 -3.004 1.00 44.14 C ATOM 1025 CG GLU A 63 13.498 4.583 -4.060 1.00 75.14 C ATOM 1026 CD GLU A 63 14.649 5.523 -3.678 1.00 24.35 C ATOM 1027 OE1 GLU A 63 14.395 6.550 -3.016 1.00 62.04 O ATOM 1028 OE2 GLU A 63 15.811 5.252 -4.066 1.00 43.40 O ATOM 0 H GLU A 63 10.369 3.386 -2.696 1.00 53.54 H new ATOM 0 HA GLU A 63 12.422 2.087 -4.417 1.00 72.34 H new ATOM 0 HB2 GLU A 63 12.876 3.978 -2.079 1.00 44.14 H new ATOM 0 HB3 GLU A 63 14.112 2.952 -2.780 1.00 44.14 H new ATOM 0 HG2 GLU A 63 13.738 4.098 -5.006 1.00 75.14 H new ATOM 0 HG3 GLU A 63 12.598 5.176 -4.225 1.00 75.14 H new ATOM 1035 N VAL A 64 11.971 0.100 -3.005 1.00 23.33 N ATOM 1036 CA VAL A 64 11.754 -1.139 -2.251 1.00 74.31 C ATOM 1037 C VAL A 64 13.115 -1.771 -1.874 1.00 61.22 C ATOM 1038 O VAL A 64 13.956 -2.031 -2.739 1.00 65.41 O ATOM 1039 CB VAL A 64 10.839 -2.143 -3.078 1.00 23.12 C ATOM 1040 CG1 VAL A 64 11.345 -2.383 -4.523 1.00 73.03 C ATOM 1041 CG2 VAL A 64 10.654 -3.480 -2.338 1.00 34.30 C ATOM 0 H VAL A 64 12.145 -0.059 -3.997 1.00 23.33 H new ATOM 0 HA VAL A 64 11.225 -0.911 -1.326 1.00 74.31 H new ATOM 0 HB VAL A 64 9.868 -1.656 -3.163 1.00 23.12 H new ATOM 0 HG11 VAL A 64 10.676 -3.077 -5.032 1.00 73.03 H new ATOM 0 HG12 VAL A 64 11.366 -1.437 -5.063 1.00 73.03 H new ATOM 0 HG13 VAL A 64 12.350 -2.805 -4.491 1.00 73.03 H new ATOM 0 HG21 VAL A 64 10.023 -4.141 -2.933 1.00 34.30 H new ATOM 0 HG22 VAL A 64 11.626 -3.948 -2.184 1.00 34.30 H new ATOM 0 HG23 VAL A 64 10.181 -3.299 -1.373 1.00 34.30 H new ATOM 1051 N THR A 65 13.337 -1.956 -0.565 1.00 65.33 N ATOM 1052 CA THR A 65 14.539 -2.596 -0.018 1.00 42.31 C ATOM 1053 C THR A 65 14.106 -3.676 0.978 1.00 41.41 C ATOM 1054 O THR A 65 13.310 -3.406 1.884 1.00 22.31 O ATOM 1055 CB THR A 65 15.476 -1.552 0.679 1.00 14.42 C ATOM 1056 OG1 THR A 65 15.853 -0.537 -0.271 1.00 30.23 O ATOM 1057 CG2 THR A 65 16.750 -2.208 1.258 1.00 14.15 C ATOM 0 H THR A 65 12.676 -1.660 0.153 1.00 65.33 H new ATOM 0 HA THR A 65 15.107 -3.044 -0.833 1.00 42.31 H new ATOM 0 HB THR A 65 14.922 -1.113 1.508 1.00 14.42 H new ATOM 0 HG1 THR A 65 16.438 0.118 0.165 1.00 30.23 H new ATOM 0 HG21 THR A 65 17.369 -1.446 1.731 1.00 14.15 H new ATOM 0 HG22 THR A 65 16.469 -2.958 1.997 1.00 14.15 H new ATOM 0 HG23 THR A 65 17.312 -2.684 0.454 1.00 14.15 H new ATOM 1065 N THR A 66 14.618 -4.893 0.796 1.00 70.31 N ATOM 1066 CA THR A 66 14.275 -6.043 1.638 1.00 72.13 C ATOM 1067 C THR A 66 15.206 -6.125 2.857 1.00 4.25 C ATOM 1068 O THR A 66 16.342 -5.633 2.828 1.00 53.34 O ATOM 1069 CB THR A 66 14.372 -7.358 0.804 1.00 73.24 C ATOM 1070 OG1 THR A 66 15.654 -7.423 0.149 1.00 21.14 O ATOM 1071 CG2 THR A 66 13.258 -7.441 -0.248 1.00 72.35 C ATOM 0 H THR A 66 15.286 -5.112 0.057 1.00 70.31 H new ATOM 0 HA THR A 66 13.253 -5.916 1.995 1.00 72.13 H new ATOM 0 HB THR A 66 14.257 -8.199 1.488 1.00 73.24 H new ATOM 0 HG1 THR A 66 15.713 -8.250 -0.373 1.00 21.14 H new ATOM 0 HG21 THR A 66 13.357 -8.370 -0.810 1.00 72.35 H new ATOM 0 HG22 THR A 66 12.287 -7.418 0.247 1.00 72.35 H new ATOM 0 HG23 THR A 66 13.337 -6.594 -0.930 1.00 72.35 H new ATOM 1079 N ASP A 67 14.691 -6.751 3.917 1.00 60.23 N ATOM 1080 CA ASP A 67 15.403 -6.981 5.180 1.00 2.15 C ATOM 1081 C ASP A 67 15.091 -8.420 5.633 1.00 25.53 C ATOM 1082 O ASP A 67 14.104 -8.669 6.338 1.00 63.22 O ATOM 1083 CB ASP A 67 14.971 -5.917 6.233 1.00 52.32 C ATOM 1084 CG ASP A 67 15.610 -6.119 7.620 1.00 61.24 C ATOM 1085 OD1 ASP A 67 14.927 -6.634 8.530 1.00 51.34 O ATOM 1086 OD2 ASP A 67 16.798 -5.774 7.802 1.00 12.20 O ATOM 0 H ASP A 67 13.741 -7.123 3.923 1.00 60.23 H new ATOM 0 HA ASP A 67 16.481 -6.875 5.058 1.00 2.15 H new ATOM 0 HB2 ASP A 67 15.234 -4.926 5.863 1.00 52.32 H new ATOM 0 HB3 ASP A 67 13.886 -5.941 6.336 1.00 52.32 H new ATOM 1091 N GLY A 68 15.904 -9.362 5.123 1.00 5.22 N ATOM 1092 CA GLY A 68 15.703 -10.793 5.339 1.00 21.24 C ATOM 1093 C GLY A 68 14.467 -11.312 4.607 1.00 11.14 C ATOM 1094 O GLY A 68 14.496 -11.532 3.388 1.00 52.42 O ATOM 0 H GLY A 68 16.719 -9.145 4.549 1.00 5.22 H new ATOM 0 HA2 GLY A 68 16.583 -11.339 4.998 1.00 21.24 H new ATOM 0 HA3 GLY A 68 15.601 -10.988 6.407 1.00 21.24 H new ATOM 1098 N ASN A 69 13.372 -11.486 5.365 1.00 71.13 N ATOM 1099 CA ASN A 69 12.064 -11.944 4.842 1.00 71.40 C ATOM 1100 C ASN A 69 11.016 -10.816 4.889 1.00 51.31 C ATOM 1101 O ASN A 69 9.952 -10.938 4.275 1.00 34.12 O ATOM 1102 CB ASN A 69 11.559 -13.183 5.648 1.00 64.23 C ATOM 1103 CG ASN A 69 12.268 -14.494 5.296 1.00 51.51 C ATOM 1104 OD1 ASN A 69 12.686 -14.712 4.154 1.00 21.12 O ATOM 1105 ND2 ASN A 69 12.403 -15.382 6.271 1.00 31.42 N ATOM 0 H ASN A 69 13.365 -11.312 6.370 1.00 71.13 H new ATOM 0 HA ASN A 69 12.204 -12.232 3.800 1.00 71.40 H new ATOM 0 HB2 ASN A 69 11.689 -12.987 6.712 1.00 64.23 H new ATOM 0 HB3 ASN A 69 10.490 -13.304 5.475 1.00 64.23 H new ATOM 0 HD21 ASN A 69 12.862 -16.274 6.088 1.00 31.42 H new ATOM 0 HD22 ASN A 69 12.047 -15.173 7.204 1.00 31.42 H new ATOM 1112 N THR A 70 11.325 -9.715 5.591 1.00 20.40 N ATOM 1113 CA THR A 70 10.409 -8.572 5.724 1.00 62.32 C ATOM 1114 C THR A 70 10.836 -7.453 4.759 1.00 45.13 C ATOM 1115 O THR A 70 11.946 -6.923 4.860 1.00 62.44 O ATOM 1116 CB THR A 70 10.388 -8.037 7.188 1.00 32.21 C ATOM 1117 OG1 THR A 70 10.072 -9.111 8.091 1.00 0.42 O ATOM 1118 CG2 THR A 70 9.374 -6.895 7.380 1.00 4.15 C ATOM 0 H THR A 70 12.212 -9.592 6.080 1.00 20.40 H new ATOM 0 HA THR A 70 9.402 -8.905 5.473 1.00 62.32 H new ATOM 0 HB THR A 70 11.380 -7.638 7.402 1.00 32.21 H new ATOM 0 HG1 THR A 70 10.061 -8.773 9.011 1.00 0.42 H new ATOM 0 HG21 THR A 70 9.398 -6.558 8.416 1.00 4.15 H new ATOM 0 HG22 THR A 70 9.632 -6.065 6.722 1.00 4.15 H new ATOM 0 HG23 THR A 70 8.373 -7.253 7.138 1.00 4.15 H new ATOM 1126 N VAL A 71 9.940 -7.110 3.836 1.00 73.42 N ATOM 1127 CA VAL A 71 10.176 -6.088 2.808 1.00 73.23 C ATOM 1128 C VAL A 71 9.793 -4.701 3.350 1.00 52.23 C ATOM 1129 O VAL A 71 8.805 -4.565 4.071 1.00 15.33 O ATOM 1130 CB VAL A 71 9.333 -6.405 1.522 1.00 74.21 C ATOM 1131 CG1 VAL A 71 9.627 -5.396 0.393 1.00 70.04 C ATOM 1132 CG2 VAL A 71 9.580 -7.850 1.050 1.00 63.12 C ATOM 0 H VAL A 71 9.016 -7.538 3.777 1.00 73.42 H new ATOM 0 HA VAL A 71 11.234 -6.093 2.547 1.00 73.23 H new ATOM 0 HB VAL A 71 8.279 -6.307 1.782 1.00 74.21 H new ATOM 0 HG11 VAL A 71 9.027 -5.644 -0.482 1.00 70.04 H new ATOM 0 HG12 VAL A 71 9.378 -4.390 0.730 1.00 70.04 H new ATOM 0 HG13 VAL A 71 10.684 -5.440 0.132 1.00 70.04 H new ATOM 0 HG21 VAL A 71 8.986 -8.048 0.158 1.00 63.12 H new ATOM 0 HG22 VAL A 71 10.637 -7.982 0.819 1.00 63.12 H new ATOM 0 HG23 VAL A 71 9.292 -8.545 1.839 1.00 63.12 H new ATOM 1142 N ASN A 72 10.593 -3.684 3.004 1.00 52.24 N ATOM 1143 CA ASN A 72 10.388 -2.293 3.439 1.00 21.40 C ATOM 1144 C ASN A 72 10.299 -1.396 2.197 1.00 3.31 C ATOM 1145 O ASN A 72 11.317 -1.086 1.561 1.00 15.23 O ATOM 1146 CB ASN A 72 11.551 -1.858 4.374 1.00 22.21 C ATOM 1147 CG ASN A 72 11.614 -2.699 5.653 1.00 75.11 C ATOM 1148 OD1 ASN A 72 10.965 -2.380 6.645 1.00 22.02 O ATOM 1149 ND2 ASN A 72 12.376 -3.787 5.638 1.00 14.24 N ATOM 0 H ASN A 72 11.411 -3.804 2.407 1.00 52.24 H new ATOM 0 HA ASN A 72 9.459 -2.203 4.002 1.00 21.40 H new ATOM 0 HB2 ASN A 72 12.496 -1.944 3.838 1.00 22.21 H new ATOM 0 HB3 ASN A 72 11.429 -0.808 4.638 1.00 22.21 H new ATOM 0 HD21 ASN A 72 12.432 -4.382 6.465 1.00 14.24 H new ATOM 0 HD22 ASN A 72 12.905 -4.028 4.800 1.00 14.24 H new ATOM 1156 N VAL A 73 9.063 -1.032 1.823 1.00 62.20 N ATOM 1157 CA VAL A 73 8.789 -0.157 0.675 1.00 34.21 C ATOM 1158 C VAL A 73 8.675 1.298 1.159 1.00 43.44 C ATOM 1159 O VAL A 73 7.696 1.670 1.817 1.00 22.44 O ATOM 1160 CB VAL A 73 7.474 -0.582 -0.087 1.00 71.42 C ATOM 1161 CG1 VAL A 73 7.220 0.327 -1.317 1.00 22.43 C ATOM 1162 CG2 VAL A 73 7.538 -2.074 -0.492 1.00 23.41 C ATOM 0 H VAL A 73 8.222 -1.338 2.312 1.00 62.20 H new ATOM 0 HA VAL A 73 9.616 -0.250 -0.029 1.00 34.21 H new ATOM 0 HB VAL A 73 6.631 -0.453 0.592 1.00 71.42 H new ATOM 0 HG11 VAL A 73 6.307 0.010 -1.822 1.00 22.43 H new ATOM 0 HG12 VAL A 73 7.113 1.361 -0.989 1.00 22.43 H new ATOM 0 HG13 VAL A 73 8.061 0.250 -2.006 1.00 22.43 H new ATOM 0 HG21 VAL A 73 6.623 -2.348 -1.016 1.00 23.41 H new ATOM 0 HG22 VAL A 73 8.394 -2.237 -1.147 1.00 23.41 H new ATOM 0 HG23 VAL A 73 7.643 -2.689 0.402 1.00 23.41 H new ATOM 1172 N THR A 74 9.706 2.098 0.861 1.00 65.41 N ATOM 1173 CA THR A 74 9.713 3.536 1.138 1.00 74.11 C ATOM 1174 C THR A 74 9.046 4.270 -0.041 1.00 34.05 C ATOM 1175 O THR A 74 9.621 4.361 -1.134 1.00 61.52 O ATOM 1176 CB THR A 74 11.173 4.048 1.356 1.00 44.00 C ATOM 1177 OG1 THR A 74 11.768 3.329 2.454 1.00 13.21 O ATOM 1178 CG2 THR A 74 11.234 5.567 1.633 1.00 44.22 C ATOM 0 H THR A 74 10.562 1.763 0.419 1.00 65.41 H new ATOM 0 HA THR A 74 9.155 3.736 2.053 1.00 74.11 H new ATOM 0 HB THR A 74 11.727 3.868 0.435 1.00 44.00 H new ATOM 0 HG1 THR A 74 12.685 3.645 2.594 1.00 13.21 H new ATOM 0 HG21 THR A 74 12.271 5.869 1.777 1.00 44.22 H new ATOM 0 HG22 THR A 74 10.812 6.108 0.786 1.00 44.22 H new ATOM 0 HG23 THR A 74 10.661 5.796 2.532 1.00 44.22 H new ATOM 1186 N VAL A 75 7.818 4.749 0.182 1.00 44.11 N ATOM 1187 CA VAL A 75 6.998 5.408 -0.844 1.00 50.44 C ATOM 1188 C VAL A 75 6.455 6.758 -0.322 1.00 54.10 C ATOM 1189 O VAL A 75 5.713 6.817 0.660 1.00 73.12 O ATOM 1190 CB VAL A 75 5.840 4.458 -1.353 1.00 51.43 C ATOM 1191 CG1 VAL A 75 5.077 3.816 -0.182 1.00 2.41 C ATOM 1192 CG2 VAL A 75 4.885 5.185 -2.342 1.00 31.30 C ATOM 0 H VAL A 75 7.358 4.690 1.091 1.00 44.11 H new ATOM 0 HA VAL A 75 7.632 5.620 -1.705 1.00 50.44 H new ATOM 0 HB VAL A 75 6.311 3.648 -1.910 1.00 51.43 H new ATOM 0 HG11 VAL A 75 4.290 3.171 -0.571 1.00 2.41 H new ATOM 0 HG12 VAL A 75 5.766 3.225 0.421 1.00 2.41 H new ATOM 0 HG13 VAL A 75 4.634 4.597 0.435 1.00 2.41 H new ATOM 0 HG21 VAL A 75 4.105 4.497 -2.667 1.00 31.30 H new ATOM 0 HG22 VAL A 75 4.429 6.041 -1.845 1.00 31.30 H new ATOM 0 HG23 VAL A 75 5.451 5.527 -3.209 1.00 31.30 H new ATOM 1202 N GLU A 76 6.885 7.844 -0.984 1.00 42.43 N ATOM 1203 CA GLU A 76 6.444 9.215 -0.697 1.00 61.42 C ATOM 1204 C GLU A 76 5.321 9.602 -1.671 1.00 4.51 C ATOM 1205 O GLU A 76 5.374 9.231 -2.848 1.00 20.01 O ATOM 1206 CB GLU A 76 7.636 10.192 -0.856 1.00 42.14 C ATOM 1207 CG GLU A 76 7.306 11.652 -0.481 1.00 11.03 C ATOM 1208 CD GLU A 76 8.382 12.650 -0.926 1.00 33.13 C ATOM 1209 OE1 GLU A 76 8.223 13.258 -2.011 1.00 71.13 O ATOM 1210 OE2 GLU A 76 9.387 12.828 -0.205 1.00 0.24 O ATOM 0 H GLU A 76 7.560 7.791 -1.746 1.00 42.43 H new ATOM 0 HA GLU A 76 6.072 9.271 0.326 1.00 61.42 H new ATOM 0 HB2 GLU A 76 8.462 9.846 -0.234 1.00 42.14 H new ATOM 0 HB3 GLU A 76 7.981 10.162 -1.889 1.00 42.14 H new ATOM 0 HG2 GLU A 76 6.354 11.930 -0.933 1.00 11.03 H new ATOM 0 HG3 GLU A 76 7.179 11.723 0.599 1.00 11.03 H new ATOM 1217 N LEU A 77 4.295 10.311 -1.163 1.00 73.12 N ATOM 1218 CA LEU A 77 3.176 10.840 -1.977 1.00 1.40 C ATOM 1219 C LEU A 77 2.899 12.287 -1.566 1.00 52.24 C ATOM 1220 O LEU A 77 2.983 12.603 -0.375 1.00 72.31 O ATOM 1221 CB LEU A 77 1.880 9.988 -1.811 1.00 42.14 C ATOM 1222 CG LEU A 77 2.011 8.442 -2.082 1.00 13.52 C ATOM 1223 CD1 LEU A 77 2.460 7.679 -0.820 1.00 54.31 C ATOM 1224 CD2 LEU A 77 0.712 7.859 -2.668 1.00 20.32 C ATOM 0 H LEU A 77 4.216 10.536 -0.171 1.00 73.12 H new ATOM 0 HA LEU A 77 3.467 10.791 -3.026 1.00 1.40 H new ATOM 0 HB2 LEU A 77 1.510 10.125 -0.795 1.00 42.14 H new ATOM 0 HB3 LEU A 77 1.121 10.388 -2.483 1.00 42.14 H new ATOM 0 HG LEU A 77 2.791 8.309 -2.831 1.00 13.52 H new ATOM 0 HD11 LEU A 77 2.539 6.616 -1.047 1.00 54.31 H new ATOM 0 HD12 LEU A 77 3.430 8.054 -0.494 1.00 54.31 H new ATOM 0 HD13 LEU A 77 1.729 7.827 -0.026 1.00 54.31 H new ATOM 0 HD21 LEU A 77 0.839 6.791 -2.842 1.00 20.32 H new ATOM 0 HD22 LEU A 77 -0.107 8.017 -1.966 1.00 20.32 H new ATOM 0 HD23 LEU A 77 0.483 8.356 -3.611 1.00 20.32 H new ATOM 1236 N GLU A 78 2.557 13.171 -2.533 1.00 31.21 N ATOM 1237 CA GLU A 78 2.298 14.597 -2.213 1.00 15.22 C ATOM 1238 C GLU A 78 0.781 14.799 -1.956 1.00 4.11 C ATOM 1239 O GLU A 78 -0.055 14.747 -2.865 1.00 45.30 O ATOM 1240 CB GLU A 78 2.912 15.592 -3.288 1.00 64.51 C ATOM 1241 CG GLU A 78 2.036 16.057 -4.487 1.00 2.15 C ATOM 1242 CD GLU A 78 1.817 15.017 -5.601 1.00 20.44 C ATOM 1243 OE1 GLU A 78 2.235 15.262 -6.758 1.00 3.20 O ATOM 1244 OE2 GLU A 78 1.233 13.954 -5.328 1.00 42.12 O ATOM 0 H GLU A 78 2.455 12.931 -3.519 1.00 31.21 H new ATOM 0 HA GLU A 78 2.825 14.855 -1.294 1.00 15.22 H new ATOM 0 HB2 GLU A 78 3.240 16.485 -2.757 1.00 64.51 H new ATOM 0 HB3 GLU A 78 3.804 15.120 -3.699 1.00 64.51 H new ATOM 0 HG2 GLU A 78 1.062 16.362 -4.104 1.00 2.15 H new ATOM 0 HG3 GLU A 78 2.496 16.941 -4.927 1.00 2.15 H new ATOM 1251 N GLU A 79 0.431 14.970 -0.674 1.00 31.42 N ATOM 1252 CA GLU A 79 -0.960 15.133 -0.229 1.00 54.40 C ATOM 1253 C GLU A 79 -1.381 16.603 -0.344 1.00 63.24 C ATOM 1254 O GLU A 79 -0.956 17.459 0.444 1.00 51.35 O ATOM 1255 CB GLU A 79 -1.126 14.621 1.226 1.00 35.51 C ATOM 1256 CG GLU A 79 -0.704 13.152 1.428 1.00 42.45 C ATOM 1257 CD GLU A 79 -1.198 12.576 2.760 1.00 31.25 C ATOM 1258 OE1 GLU A 79 -2.204 11.830 2.757 1.00 21.54 O ATOM 1259 OE2 GLU A 79 -0.594 12.883 3.813 1.00 21.04 O ATOM 0 H GLU A 79 1.109 14.999 0.088 1.00 31.42 H new ATOM 0 HA GLU A 79 -1.609 14.538 -0.872 1.00 54.40 H new ATOM 0 HB2 GLU A 79 -0.537 15.252 1.891 1.00 35.51 H new ATOM 0 HB3 GLU A 79 -2.169 14.732 1.522 1.00 35.51 H new ATOM 0 HG2 GLU A 79 -1.095 12.549 0.608 1.00 42.45 H new ATOM 0 HG3 GLU A 79 0.383 13.081 1.386 1.00 42.45 H new ATOM 1266 N THR A 80 -2.198 16.875 -1.364 1.00 21.23 N ATOM 1267 CA THR A 80 -2.711 18.201 -1.679 1.00 74.24 C ATOM 1268 C THR A 80 -4.167 18.288 -1.182 1.00 0.32 C ATOM 1269 O THR A 80 -5.060 17.623 -1.725 1.00 20.42 O ATOM 1270 CB THR A 80 -2.610 18.454 -3.223 1.00 74.10 C ATOM 1271 OG1 THR A 80 -1.268 18.158 -3.672 1.00 30.14 O ATOM 1272 CG2 THR A 80 -2.953 19.904 -3.611 1.00 50.53 C ATOM 0 H THR A 80 -2.527 16.156 -2.008 1.00 21.23 H new ATOM 0 HA THR A 80 -2.123 18.973 -1.182 1.00 74.24 H new ATOM 0 HB THR A 80 -3.338 17.800 -3.703 1.00 74.10 H new ATOM 0 HG1 THR A 80 -0.692 18.935 -3.515 1.00 30.14 H new ATOM 0 HG21 THR A 80 -2.867 20.022 -4.691 1.00 50.53 H new ATOM 0 HG22 THR A 80 -3.973 20.132 -3.302 1.00 50.53 H new ATOM 0 HG23 THR A 80 -2.263 20.586 -3.115 1.00 50.53 H new ATOM 1280 N THR A 81 -4.371 19.033 -0.087 1.00 33.11 N ATOM 1281 CA THR A 81 -5.689 19.253 0.527 1.00 44.31 C ATOM 1282 C THR A 81 -5.730 20.652 1.177 1.00 60.13 C ATOM 1283 O THR A 81 -4.734 21.103 1.752 1.00 53.43 O ATOM 1284 CB THR A 81 -6.026 18.132 1.578 1.00 34.41 C ATOM 1285 OG1 THR A 81 -7.304 18.386 2.195 1.00 31.34 O ATOM 1286 CG2 THR A 81 -4.933 17.978 2.657 1.00 40.01 C ATOM 0 H THR A 81 -3.614 19.507 0.405 1.00 33.11 H new ATOM 0 HA THR A 81 -6.449 19.202 -0.252 1.00 44.31 H new ATOM 0 HB THR A 81 -6.069 17.191 1.030 1.00 34.41 H new ATOM 0 HG1 THR A 81 -7.500 17.679 2.845 1.00 31.34 H new ATOM 0 HG21 THR A 81 -5.219 17.191 3.355 1.00 40.01 H new ATOM 0 HG22 THR A 81 -3.987 17.716 2.182 1.00 40.01 H new ATOM 0 HG23 THR A 81 -4.820 18.918 3.197 1.00 40.01 H new ATOM 1294 N GLY A 82 -6.879 21.343 1.041 1.00 3.25 N ATOM 1295 CA GLY A 82 -7.087 22.667 1.650 1.00 31.15 C ATOM 1296 C GLY A 82 -6.214 23.774 1.053 1.00 24.23 C ATOM 1297 O GLY A 82 -5.922 24.773 1.726 1.00 75.03 O ATOM 0 H GLY A 82 -7.681 21.001 0.511 1.00 3.25 H new ATOM 0 HA2 GLY A 82 -8.135 22.946 1.539 1.00 31.15 H new ATOM 0 HA3 GLY A 82 -6.887 22.599 2.719 1.00 31.15 H new ATOM 1301 N GLY A 83 -5.801 23.589 -0.212 1.00 13.11 N ATOM 1302 CA GLY A 83 -4.958 24.558 -0.929 1.00 31.14 C ATOM 1303 C GLY A 83 -3.459 24.371 -0.696 1.00 4.21 C ATOM 1304 O GLY A 83 -2.644 25.058 -1.331 1.00 53.33 O ATOM 0 H GLY A 83 -6.042 22.766 -0.764 1.00 13.11 H new ATOM 0 HA2 GLY A 83 -5.162 24.481 -1.997 1.00 31.14 H new ATOM 0 HA3 GLY A 83 -5.240 25.565 -0.623 1.00 31.14 H new ATOM 1308 N THR A 84 -3.082 23.448 0.211 1.00 2.23 N ATOM 1309 CA THR A 84 -1.668 23.188 0.554 1.00 32.12 C ATOM 1310 C THR A 84 -1.262 21.744 0.179 1.00 71.13 C ATOM 1311 O THR A 84 -2.038 20.797 0.348 1.00 32.42 O ATOM 1312 CB THR A 84 -1.385 23.469 2.079 1.00 53.14 C ATOM 1313 OG1 THR A 84 0.019 23.307 2.365 1.00 51.33 O ATOM 1314 CG2 THR A 84 -2.202 22.566 3.022 1.00 71.30 C ATOM 0 H THR A 84 -3.743 22.865 0.724 1.00 2.23 H new ATOM 0 HA THR A 84 -1.057 23.876 -0.031 1.00 32.12 H new ATOM 0 HB THR A 84 -1.694 24.498 2.263 1.00 53.14 H new ATOM 0 HG1 THR A 84 0.182 23.486 3.315 1.00 51.33 H new ATOM 0 HG21 THR A 84 -1.962 22.809 4.057 1.00 71.30 H new ATOM 0 HG22 THR A 84 -3.266 22.727 2.849 1.00 71.30 H new ATOM 0 HG23 THR A 84 -1.957 21.522 2.828 1.00 71.30 H new ATOM 1322 N THR A 85 -0.048 21.606 -0.368 1.00 32.23 N ATOM 1323 CA THR A 85 0.569 20.316 -0.701 1.00 53.21 C ATOM 1324 C THR A 85 1.589 19.932 0.397 1.00 64.34 C ATOM 1325 O THR A 85 2.250 20.811 0.963 1.00 32.22 O ATOM 1326 CB THR A 85 1.273 20.431 -2.091 1.00 45.41 C ATOM 1327 OG1 THR A 85 0.316 20.819 -3.091 1.00 45.12 O ATOM 1328 CG2 THR A 85 1.961 19.135 -2.532 1.00 53.23 C ATOM 0 H THR A 85 0.545 22.404 -0.596 1.00 32.23 H new ATOM 0 HA THR A 85 -0.193 19.538 -0.753 1.00 53.21 H new ATOM 0 HB THR A 85 2.050 21.187 -1.982 1.00 45.41 H new ATOM 0 HG1 THR A 85 0.762 20.891 -3.960 1.00 45.12 H new ATOM 0 HG21 THR A 85 2.430 19.285 -3.505 1.00 53.23 H new ATOM 0 HG22 THR A 85 2.722 18.860 -1.801 1.00 53.23 H new ATOM 0 HG23 THR A 85 1.222 18.337 -2.604 1.00 53.23 H new ATOM 1336 N THR A 86 1.700 18.627 0.710 1.00 44.13 N ATOM 1337 CA THR A 86 2.649 18.101 1.710 1.00 3.34 C ATOM 1338 C THR A 86 3.182 16.735 1.246 1.00 23.22 C ATOM 1339 O THR A 86 2.414 15.775 1.164 1.00 24.24 O ATOM 1340 CB THR A 86 1.959 17.954 3.116 1.00 64.21 C ATOM 1341 OG1 THR A 86 1.470 19.235 3.551 1.00 13.25 O ATOM 1342 CG2 THR A 86 2.914 17.382 4.187 1.00 63.45 C ATOM 0 H THR A 86 1.130 17.903 0.273 1.00 44.13 H new ATOM 0 HA THR A 86 3.476 18.804 1.806 1.00 3.34 H new ATOM 0 HB THR A 86 1.136 17.249 2.999 1.00 64.21 H new ATOM 0 HG1 THR A 86 1.039 19.141 4.426 1.00 13.25 H new ATOM 0 HG21 THR A 86 2.388 17.301 5.138 1.00 63.45 H new ATOM 0 HG22 THR A 86 3.258 16.395 3.878 1.00 63.45 H new ATOM 0 HG23 THR A 86 3.771 18.046 4.302 1.00 63.45 H new ATOM 1350 N ASN A 87 4.491 16.648 0.953 1.00 51.05 N ATOM 1351 CA ASN A 87 5.131 15.380 0.562 1.00 34.32 C ATOM 1352 C ASN A 87 5.342 14.521 1.825 1.00 63.33 C ATOM 1353 O ASN A 87 6.259 14.761 2.623 1.00 73.10 O ATOM 1354 CB ASN A 87 6.477 15.655 -0.163 1.00 42.43 C ATOM 1355 CG ASN A 87 6.293 16.279 -1.547 1.00 22.22 C ATOM 1356 OD1 ASN A 87 6.191 17.501 -1.683 1.00 73.32 O ATOM 1357 ND2 ASN A 87 6.262 15.450 -2.585 1.00 64.15 N ATOM 0 H ASN A 87 5.128 17.444 0.980 1.00 51.05 H new ATOM 0 HA ASN A 87 4.490 14.839 -0.134 1.00 34.32 H new ATOM 0 HB2 ASN A 87 7.085 16.319 0.451 1.00 42.43 H new ATOM 0 HB3 ASN A 87 7.028 14.720 -0.262 1.00 42.43 H new ATOM 0 HD21 ASN A 87 6.151 15.819 -3.529 1.00 64.15 H new ATOM 0 HD22 ASN A 87 6.349 14.445 -2.437 1.00 64.15 H new ATOM 1364 N THR A 88 4.440 13.547 1.998 1.00 31.30 N ATOM 1365 CA THR A 88 4.378 12.667 3.175 1.00 24.45 C ATOM 1366 C THR A 88 4.964 11.286 2.834 1.00 22.23 C ATOM 1367 O THR A 88 4.528 10.639 1.876 1.00 42.02 O ATOM 1368 CB THR A 88 2.894 12.528 3.656 1.00 42.33 C ATOM 1369 OG1 THR A 88 2.308 13.833 3.757 1.00 50.32 O ATOM 1370 CG2 THR A 88 2.776 11.812 5.020 1.00 55.13 C ATOM 0 H THR A 88 3.716 13.343 1.309 1.00 31.30 H new ATOM 0 HA THR A 88 4.969 13.104 3.980 1.00 24.45 H new ATOM 0 HB THR A 88 2.368 11.919 2.921 1.00 42.33 H new ATOM 0 HG1 THR A 88 1.331 13.753 3.772 1.00 50.32 H new ATOM 0 HG21 THR A 88 1.726 11.743 5.305 1.00 55.13 H new ATOM 0 HG22 THR A 88 3.198 10.810 4.943 1.00 55.13 H new ATOM 0 HG23 THR A 88 3.321 12.377 5.776 1.00 55.13 H new ATOM 1378 N THR A 89 5.957 10.847 3.620 1.00 23.33 N ATOM 1379 CA THR A 89 6.662 9.584 3.395 1.00 31.42 C ATOM 1380 C THR A 89 6.017 8.458 4.226 1.00 52.33 C ATOM 1381 O THR A 89 5.981 8.515 5.466 1.00 71.21 O ATOM 1382 CB THR A 89 8.181 9.734 3.745 1.00 44.34 C ATOM 1383 OG1 THR A 89 8.729 10.845 3.005 1.00 33.32 O ATOM 1384 CG2 THR A 89 8.996 8.460 3.418 1.00 11.32 C ATOM 0 H THR A 89 6.293 11.363 4.433 1.00 23.33 H new ATOM 0 HA THR A 89 6.582 9.322 2.340 1.00 31.42 H new ATOM 0 HB THR A 89 8.253 9.903 4.819 1.00 44.34 H new ATOM 0 HG1 THR A 89 9.680 10.945 3.221 1.00 33.32 H new ATOM 0 HG21 THR A 89 10.042 8.620 3.680 1.00 11.32 H new ATOM 0 HG22 THR A 89 8.603 7.620 3.990 1.00 11.32 H new ATOM 0 HG23 THR A 89 8.918 8.242 2.353 1.00 11.32 H new ATOM 1392 N TYR A 90 5.479 7.460 3.521 1.00 52.44 N ATOM 1393 CA TYR A 90 4.901 6.251 4.112 1.00 73.22 C ATOM 1394 C TYR A 90 5.880 5.096 3.889 1.00 51.14 C ATOM 1395 O TYR A 90 6.327 4.868 2.764 1.00 24.01 O ATOM 1396 CB TYR A 90 3.541 5.928 3.443 1.00 72.23 C ATOM 1397 CG TYR A 90 2.456 6.985 3.666 1.00 72.43 C ATOM 1398 CD1 TYR A 90 2.297 8.068 2.793 1.00 14.03 C ATOM 1399 CD2 TYR A 90 1.582 6.892 4.747 1.00 43.40 C ATOM 1400 CE1 TYR A 90 1.315 9.019 3.003 1.00 11.10 C ATOM 1401 CE2 TYR A 90 0.603 7.836 4.957 1.00 14.40 C ATOM 1402 CZ TYR A 90 0.466 8.891 4.087 1.00 73.43 C ATOM 1403 OH TYR A 90 -0.511 9.833 4.320 1.00 3.31 O ATOM 0 H TYR A 90 5.432 7.470 2.502 1.00 52.44 H new ATOM 0 HA TYR A 90 4.731 6.401 5.178 1.00 73.22 H new ATOM 0 HB2 TYR A 90 3.698 5.807 2.371 1.00 72.23 H new ATOM 0 HB3 TYR A 90 3.182 4.971 3.823 1.00 72.23 H new ATOM 0 HD1 TYR A 90 2.953 8.162 1.940 1.00 14.03 H new ATOM 0 HD2 TYR A 90 1.675 6.063 5.433 1.00 43.40 H new ATOM 0 HE1 TYR A 90 1.212 9.854 2.326 1.00 11.10 H new ATOM 0 HE2 TYR A 90 -0.058 7.748 5.806 1.00 14.40 H new ATOM 0 HH TYR A 90 -1.017 9.588 5.122 1.00 3.31 H new ATOM 1413 N GLU A 91 6.229 4.387 4.961 1.00 24.21 N ATOM 1414 CA GLU A 91 7.100 3.209 4.882 1.00 41.14 C ATOM 1415 C GLU A 91 6.240 1.978 5.181 1.00 13.13 C ATOM 1416 O GLU A 91 5.932 1.688 6.342 1.00 30.55 O ATOM 1417 CB GLU A 91 8.269 3.348 5.896 1.00 44.20 C ATOM 1418 CG GLU A 91 9.087 4.656 5.745 1.00 13.22 C ATOM 1419 CD GLU A 91 10.061 4.897 6.907 1.00 40.50 C ATOM 1420 OE1 GLU A 91 11.296 4.853 6.707 1.00 2.14 O ATOM 1421 OE2 GLU A 91 9.584 5.132 8.039 1.00 60.42 O ATOM 0 H GLU A 91 5.919 4.609 5.907 1.00 24.21 H new ATOM 0 HA GLU A 91 7.543 3.112 3.891 1.00 41.14 H new ATOM 0 HB2 GLU A 91 7.866 3.299 6.908 1.00 44.20 H new ATOM 0 HB3 GLU A 91 8.940 2.497 5.779 1.00 44.20 H new ATOM 0 HG2 GLU A 91 9.648 4.621 4.811 1.00 13.22 H new ATOM 0 HG3 GLU A 91 8.401 5.500 5.673 1.00 13.22 H new ATOM 1428 N LEU A 92 5.835 1.268 4.116 1.00 72.51 N ATOM 1429 CA LEU A 92 4.971 0.092 4.234 1.00 0.34 C ATOM 1430 C LEU A 92 5.859 -1.129 4.423 1.00 42.11 C ATOM 1431 O LEU A 92 6.534 -1.587 3.492 1.00 42.25 O ATOM 1432 CB LEU A 92 4.024 -0.060 3.004 1.00 71.52 C ATOM 1433 CG LEU A 92 2.840 0.964 2.914 1.00 51.14 C ATOM 1434 CD1 LEU A 92 3.342 2.396 2.697 1.00 54.41 C ATOM 1435 CD2 LEU A 92 1.829 0.561 1.820 1.00 34.20 C ATOM 0 H LEU A 92 6.097 1.494 3.157 1.00 72.51 H new ATOM 0 HA LEU A 92 4.315 0.204 5.097 1.00 0.34 H new ATOM 0 HB2 LEU A 92 4.623 0.027 2.097 1.00 71.52 H new ATOM 0 HB3 LEU A 92 3.607 -1.067 3.015 1.00 71.52 H new ATOM 0 HG LEU A 92 2.323 0.940 3.873 1.00 51.14 H new ATOM 0 HD11 LEU A 92 2.491 3.075 2.640 1.00 54.41 H new ATOM 0 HD12 LEU A 92 3.983 2.687 3.529 1.00 54.41 H new ATOM 0 HD13 LEU A 92 3.909 2.446 1.767 1.00 54.41 H new ATOM 0 HD21 LEU A 92 1.021 1.292 1.784 1.00 34.20 H new ATOM 0 HD22 LEU A 92 2.332 0.529 0.854 1.00 34.20 H new ATOM 0 HD23 LEU A 92 1.419 -0.423 2.048 1.00 34.20 H new ATOM 1447 N ARG A 93 5.870 -1.617 5.657 1.00 55.00 N ATOM 1448 CA ARG A 93 6.681 -2.748 6.069 1.00 53.40 C ATOM 1449 C ARG A 93 5.844 -4.024 5.886 1.00 13.10 C ATOM 1450 O ARG A 93 4.992 -4.354 6.722 1.00 13.23 O ATOM 1451 CB ARG A 93 7.102 -2.554 7.554 1.00 14.01 C ATOM 1452 CG ARG A 93 8.142 -3.569 8.062 1.00 34.35 C ATOM 1453 CD ARG A 93 8.259 -3.573 9.595 1.00 11.41 C ATOM 1454 NE ARG A 93 7.013 -4.046 10.229 1.00 2.23 N ATOM 1455 CZ ARG A 93 6.738 -5.330 10.523 1.00 34.11 C ATOM 1456 NH1 ARG A 93 7.611 -6.296 10.255 1.00 75.45 N ATOM 1457 NH2 ARG A 93 5.575 -5.647 11.075 1.00 15.14 N ATOM 0 H ARG A 93 5.304 -1.228 6.411 1.00 55.00 H new ATOM 0 HA ARG A 93 7.587 -2.828 5.469 1.00 53.40 H new ATOM 0 HB2 ARG A 93 7.505 -1.549 7.675 1.00 14.01 H new ATOM 0 HB3 ARG A 93 6.213 -2.619 8.182 1.00 14.01 H new ATOM 0 HG2 ARG A 93 7.869 -4.567 7.719 1.00 34.35 H new ATOM 0 HG3 ARG A 93 9.114 -3.337 7.627 1.00 34.35 H new ATOM 0 HD2 ARG A 93 9.088 -4.213 9.896 1.00 11.41 H new ATOM 0 HD3 ARG A 93 8.489 -2.567 9.947 1.00 11.41 H new ATOM 0 HE ARG A 93 6.307 -3.347 10.462 1.00 2.23 H new ATOM 0 HH11 ARG A 93 8.505 -6.069 9.820 1.00 75.45 H new ATOM 0 HH12 ARG A 93 7.387 -7.264 10.484 1.00 75.45 H new ATOM 0 HH21 ARG A 93 4.890 -4.918 11.276 1.00 15.14 H new ATOM 0 HH22 ARG A 93 5.365 -6.620 11.299 1.00 15.14 H new ATOM 1471 N PHE A 94 6.082 -4.720 4.771 1.00 44.41 N ATOM 1472 CA PHE A 94 5.363 -5.949 4.435 1.00 54.24 C ATOM 1473 C PHE A 94 6.086 -7.137 5.072 1.00 45.44 C ATOM 1474 O PHE A 94 7.176 -7.525 4.648 1.00 70.51 O ATOM 1475 CB PHE A 94 5.285 -6.106 2.893 1.00 44.10 C ATOM 1476 CG PHE A 94 4.366 -5.089 2.213 1.00 54.14 C ATOM 1477 CD1 PHE A 94 4.864 -3.877 1.731 1.00 61.42 C ATOM 1478 CD2 PHE A 94 3.002 -5.351 2.054 1.00 61.32 C ATOM 1479 CE1 PHE A 94 4.031 -2.966 1.115 1.00 21.53 C ATOM 1480 CE2 PHE A 94 2.171 -4.432 1.439 1.00 2.33 C ATOM 1481 CZ PHE A 94 2.687 -3.243 0.969 1.00 41.33 C ATOM 0 H PHE A 94 6.778 -4.447 4.077 1.00 44.41 H new ATOM 0 HA PHE A 94 4.345 -5.907 4.822 1.00 54.24 H new ATOM 0 HB2 PHE A 94 6.288 -6.011 2.477 1.00 44.10 H new ATOM 0 HB3 PHE A 94 4.936 -7.111 2.657 1.00 44.10 H new ATOM 0 HD1 PHE A 94 5.914 -3.650 1.842 1.00 61.42 H new ATOM 0 HD2 PHE A 94 2.592 -6.282 2.416 1.00 61.32 H new ATOM 0 HE1 PHE A 94 4.432 -2.033 0.746 1.00 21.53 H new ATOM 0 HE2 PHE A 94 1.118 -4.646 1.327 1.00 2.33 H new ATOM 0 HZ PHE A 94 2.038 -2.527 0.486 1.00 41.33 H new ATOM 1491 N GLU A 95 5.459 -7.698 6.114 1.00 11.22 N ATOM 1492 CA GLU A 95 6.000 -8.832 6.863 1.00 24.24 C ATOM 1493 C GLU A 95 5.344 -10.114 6.342 1.00 31.32 C ATOM 1494 O GLU A 95 4.114 -10.163 6.162 1.00 65.12 O ATOM 1495 CB GLU A 95 5.723 -8.651 8.378 1.00 72.13 C ATOM 1496 CG GLU A 95 6.412 -9.694 9.291 1.00 41.45 C ATOM 1497 CD GLU A 95 5.968 -9.605 10.765 1.00 11.04 C ATOM 1498 OE1 GLU A 95 6.162 -8.540 11.392 1.00 44.45 O ATOM 1499 OE2 GLU A 95 5.413 -10.591 11.298 1.00 41.44 O ATOM 0 H GLU A 95 4.556 -7.373 6.461 1.00 11.22 H new ATOM 0 HA GLU A 95 7.080 -8.893 6.725 1.00 24.24 H new ATOM 0 HB2 GLU A 95 6.050 -7.655 8.677 1.00 72.13 H new ATOM 0 HB3 GLU A 95 4.647 -8.697 8.545 1.00 72.13 H new ATOM 0 HG2 GLU A 95 6.197 -10.694 8.914 1.00 41.45 H new ATOM 0 HG3 GLU A 95 7.492 -9.558 9.236 1.00 41.45 H new ATOM 1506 N VAL A 96 6.158 -11.142 6.082 1.00 72.31 N ATOM 1507 CA VAL A 96 5.651 -12.445 5.645 1.00 54.14 C ATOM 1508 C VAL A 96 5.235 -13.279 6.863 1.00 0.14 C ATOM 1509 O VAL A 96 5.858 -13.208 7.932 1.00 33.14 O ATOM 1510 CB VAL A 96 6.694 -13.245 4.766 1.00 12.31 C ATOM 1511 CG1 VAL A 96 7.101 -12.433 3.518 1.00 11.22 C ATOM 1512 CG2 VAL A 96 7.936 -13.686 5.578 1.00 54.40 C ATOM 0 H VAL A 96 7.173 -11.096 6.167 1.00 72.31 H new ATOM 0 HA VAL A 96 4.784 -12.256 5.012 1.00 54.14 H new ATOM 0 HB VAL A 96 6.198 -14.157 4.434 1.00 12.31 H new ATOM 0 HG11 VAL A 96 7.819 -13.005 2.930 1.00 11.22 H new ATOM 0 HG12 VAL A 96 6.218 -12.228 2.913 1.00 11.22 H new ATOM 0 HG13 VAL A 96 7.554 -11.492 3.828 1.00 11.22 H new ATOM 0 HG21 VAL A 96 8.621 -14.231 4.928 1.00 54.40 H new ATOM 0 HG22 VAL A 96 8.439 -12.806 5.979 1.00 54.40 H new ATOM 0 HG23 VAL A 96 7.624 -14.331 6.399 1.00 54.40 H new ATOM 1522 N ASP A 97 4.151 -14.028 6.698 1.00 43.24 N ATOM 1523 CA ASP A 97 3.748 -15.077 7.627 1.00 23.11 C ATOM 1524 C ASP A 97 4.105 -16.403 6.959 1.00 45.42 C ATOM 1525 O ASP A 97 3.463 -16.809 5.980 1.00 75.25 O ATOM 1526 CB ASP A 97 2.235 -14.990 7.932 1.00 20.44 C ATOM 1527 CG ASP A 97 1.733 -16.122 8.847 1.00 60.31 C ATOM 1528 OD1 ASP A 97 0.974 -16.996 8.377 1.00 4.12 O ATOM 1529 OD2 ASP A 97 2.115 -16.152 10.038 1.00 44.23 O ATOM 0 H ASP A 97 3.519 -13.922 5.905 1.00 43.24 H new ATOM 0 HA ASP A 97 4.259 -14.976 8.584 1.00 23.11 H new ATOM 0 HB2 ASP A 97 2.021 -14.030 8.402 1.00 20.44 H new ATOM 0 HB3 ASP A 97 1.680 -15.017 6.994 1.00 20.44 H new ATOM 1534 N GLY A 98 5.188 -17.018 7.447 1.00 23.53 N ATOM 1535 CA GLY A 98 5.768 -18.201 6.835 1.00 13.10 C ATOM 1536 C GLY A 98 6.573 -17.843 5.594 1.00 21.14 C ATOM 1537 O GLY A 98 7.693 -17.335 5.700 1.00 22.21 O ATOM 0 H GLY A 98 5.683 -16.702 8.281 1.00 23.53 H new ATOM 0 HA2 GLY A 98 6.411 -18.707 7.555 1.00 13.10 H new ATOM 0 HA3 GLY A 98 4.976 -18.901 6.568 1.00 13.10 H new ATOM 1541 N ASP A 99 5.964 -18.051 4.421 1.00 43.12 N ATOM 1542 CA ASP A 99 6.640 -17.943 3.108 1.00 14.00 C ATOM 1543 C ASP A 99 5.940 -16.938 2.161 1.00 60.01 C ATOM 1544 O ASP A 99 6.383 -16.750 1.018 1.00 14.34 O ATOM 1545 CB ASP A 99 6.693 -19.356 2.456 1.00 11.33 C ATOM 1546 CG ASP A 99 5.309 -19.948 2.092 1.00 10.14 C ATOM 1547 OD1 ASP A 99 5.190 -20.611 1.040 1.00 4.21 O ATOM 1548 OD2 ASP A 99 4.332 -19.755 2.856 1.00 10.40 O ATOM 0 H ASP A 99 4.978 -18.302 4.348 1.00 43.12 H new ATOM 0 HA ASP A 99 7.648 -17.561 3.274 1.00 14.00 H new ATOM 0 HB2 ASP A 99 7.300 -19.303 1.552 1.00 11.33 H new ATOM 0 HB3 ASP A 99 7.198 -20.039 3.139 1.00 11.33 H new ATOM 1553 N THR A 100 4.838 -16.323 2.635 1.00 70.12 N ATOM 1554 CA THR A 100 4.028 -15.374 1.842 1.00 52.13 C ATOM 1555 C THR A 100 3.581 -14.188 2.720 1.00 31.31 C ATOM 1556 O THR A 100 3.393 -14.352 3.932 1.00 44.00 O ATOM 1557 CB THR A 100 2.792 -16.085 1.196 1.00 14.02 C ATOM 1558 OG1 THR A 100 1.997 -15.137 0.462 1.00 11.35 O ATOM 1559 CG2 THR A 100 1.909 -16.799 2.236 1.00 3.21 C ATOM 0 H THR A 100 4.483 -16.470 3.580 1.00 70.12 H new ATOM 0 HA THR A 100 4.649 -14.992 1.032 1.00 52.13 H new ATOM 0 HB THR A 100 3.185 -16.844 0.520 1.00 14.02 H new ATOM 0 HG1 THR A 100 2.320 -15.085 -0.462 1.00 11.35 H new ATOM 0 HG21 THR A 100 1.067 -17.275 1.733 1.00 3.21 H new ATOM 0 HG22 THR A 100 2.497 -17.556 2.754 1.00 3.21 H new ATOM 0 HG23 THR A 100 1.537 -16.072 2.958 1.00 3.21 H new ATOM 1567 N ILE A 101 3.407 -13.003 2.094 1.00 14.22 N ATOM 1568 CA ILE A 101 3.127 -11.746 2.814 1.00 42.23 C ATOM 1569 C ILE A 101 1.667 -11.723 3.292 1.00 54.20 C ATOM 1570 O ILE A 101 0.744 -11.789 2.472 1.00 1.22 O ATOM 1571 CB ILE A 101 3.394 -10.469 1.929 1.00 23.15 C ATOM 1572 CG1 ILE A 101 4.742 -10.576 1.158 1.00 72.41 C ATOM 1573 CG2 ILE A 101 3.365 -9.192 2.811 1.00 5.11 C ATOM 1574 CD1 ILE A 101 4.983 -9.472 0.144 1.00 33.14 C ATOM 0 H ILE A 101 3.457 -12.894 1.081 1.00 14.22 H new ATOM 0 HA ILE A 101 3.808 -11.715 3.665 1.00 42.23 H new ATOM 0 HB ILE A 101 2.599 -10.403 1.186 1.00 23.15 H new ATOM 0 HG12 ILE A 101 5.559 -10.572 1.880 1.00 72.41 H new ATOM 0 HG13 ILE A 101 4.775 -11.536 0.644 1.00 72.41 H new ATOM 0 HG21 ILE A 101 3.551 -8.316 2.189 1.00 5.11 H new ATOM 0 HG22 ILE A 101 2.388 -9.100 3.286 1.00 5.11 H new ATOM 0 HG23 ILE A 101 4.136 -9.262 3.578 1.00 5.11 H new ATOM 0 HD11 ILE A 101 5.945 -9.629 -0.343 1.00 33.14 H new ATOM 0 HD12 ILE A 101 4.191 -9.486 -0.604 1.00 33.14 H new ATOM 0 HD13 ILE A 101 4.986 -8.507 0.651 1.00 33.14 H new ATOM 1586 N ARG A 102 1.471 -11.633 4.618 1.00 13.51 N ATOM 1587 CA ARG A 102 0.137 -11.626 5.260 1.00 44.14 C ATOM 1588 C ARG A 102 0.027 -10.470 6.268 1.00 32.52 C ATOM 1589 O ARG A 102 -0.905 -10.432 7.081 1.00 12.24 O ATOM 1590 CB ARG A 102 -0.130 -12.998 5.961 1.00 22.54 C ATOM 1591 CG ARG A 102 -0.210 -14.210 5.000 1.00 11.22 C ATOM 1592 CD ARG A 102 -1.265 -13.998 3.905 1.00 34.13 C ATOM 1593 NE ARG A 102 -1.410 -15.152 3.003 1.00 42.22 N ATOM 1594 CZ ARG A 102 -1.186 -15.146 1.682 1.00 25.32 C ATOM 1595 NH1 ARG A 102 -0.783 -14.043 1.051 1.00 10.23 N ATOM 1596 NH2 ARG A 102 -1.394 -16.251 0.993 1.00 21.43 N ATOM 0 H ARG A 102 2.239 -11.562 5.285 1.00 13.51 H new ATOM 0 HA ARG A 102 -0.620 -11.476 4.490 1.00 44.14 H new ATOM 0 HB2 ARG A 102 0.662 -13.179 6.688 1.00 22.54 H new ATOM 0 HB3 ARG A 102 -1.065 -12.931 6.518 1.00 22.54 H new ATOM 0 HG2 ARG A 102 0.764 -14.374 4.540 1.00 11.22 H new ATOM 0 HG3 ARG A 102 -0.450 -15.109 5.567 1.00 11.22 H new ATOM 0 HD2 ARG A 102 -2.227 -13.789 4.373 1.00 34.13 H new ATOM 0 HD3 ARG A 102 -0.998 -13.119 3.319 1.00 34.13 H new ATOM 0 HE ARG A 102 -1.707 -16.034 3.420 1.00 42.22 H new ATOM 0 HH11 ARG A 102 -0.639 -13.180 1.575 1.00 10.23 H new ATOM 0 HH12 ARG A 102 -0.619 -14.062 0.044 1.00 10.23 H new ATOM 0 HH21 ARG A 102 -1.721 -17.093 1.466 1.00 21.43 H new ATOM 0 HH22 ARG A 102 -1.228 -16.263 -0.013 1.00 21.43 H new ATOM 1610 N ARG A 103 0.963 -9.506 6.189 1.00 33.31 N ATOM 1611 CA ARG A 103 1.026 -8.386 7.132 1.00 44.21 C ATOM 1612 C ARG A 103 1.623 -7.154 6.447 1.00 20.45 C ATOM 1613 O ARG A 103 2.575 -7.268 5.675 1.00 1.14 O ATOM 1614 CB ARG A 103 1.861 -8.808 8.368 1.00 63.44 C ATOM 1615 CG ARG A 103 1.937 -7.771 9.522 1.00 24.32 C ATOM 1616 CD ARG A 103 2.439 -8.398 10.843 1.00 51.44 C ATOM 1617 NE ARG A 103 1.476 -9.387 11.379 1.00 21.34 N ATOM 1618 CZ ARG A 103 1.626 -10.727 11.367 1.00 31.53 C ATOM 1619 NH1 ARG A 103 2.714 -11.293 10.842 1.00 60.35 N ATOM 1620 NH2 ARG A 103 0.671 -11.499 11.875 1.00 25.00 N ATOM 0 H ARG A 103 1.690 -9.486 5.473 1.00 33.31 H new ATOM 0 HA ARG A 103 0.022 -8.123 7.465 1.00 44.21 H new ATOM 0 HB2 ARG A 103 1.445 -9.734 8.765 1.00 63.44 H new ATOM 0 HB3 ARG A 103 2.876 -9.030 8.038 1.00 63.44 H new ATOM 0 HG2 ARG A 103 2.602 -6.957 9.233 1.00 24.32 H new ATOM 0 HG3 ARG A 103 0.951 -7.335 9.681 1.00 24.32 H new ATOM 0 HD2 ARG A 103 3.401 -8.881 10.674 1.00 51.44 H new ATOM 0 HD3 ARG A 103 2.602 -7.612 11.580 1.00 51.44 H new ATOM 0 HE ARG A 103 0.620 -9.021 11.796 1.00 21.34 H new ATOM 0 HH11 ARG A 103 3.449 -10.710 10.441 1.00 60.35 H new ATOM 0 HH12 ARG A 103 2.811 -12.308 10.841 1.00 60.35 H new ATOM 0 HH21 ARG A 103 -0.169 -11.077 12.271 1.00 25.00 H new ATOM 0 HH22 ARG A 103 0.778 -12.513 11.869 1.00 25.00 H new ATOM 1634 N VAL A 104 1.024 -5.990 6.721 1.00 44.52 N ATOM 1635 CA VAL A 104 1.514 -4.681 6.269 1.00 33.01 C ATOM 1636 C VAL A 104 1.400 -3.682 7.439 1.00 32.41 C ATOM 1637 O VAL A 104 0.316 -3.480 7.999 1.00 13.23 O ATOM 1638 CB VAL A 104 0.737 -4.161 4.982 1.00 35.10 C ATOM 1639 CG1 VAL A 104 -0.800 -4.172 5.169 1.00 24.10 C ATOM 1640 CG2 VAL A 104 1.248 -2.762 4.531 1.00 1.54 C ATOM 0 H VAL A 104 0.169 -5.929 7.274 1.00 44.52 H new ATOM 0 HA VAL A 104 2.558 -4.778 5.970 1.00 33.01 H new ATOM 0 HB VAL A 104 0.957 -4.868 4.182 1.00 35.10 H new ATOM 0 HG11 VAL A 104 -1.280 -3.808 4.261 1.00 24.10 H new ATOM 0 HG12 VAL A 104 -1.134 -5.189 5.373 1.00 24.10 H new ATOM 0 HG13 VAL A 104 -1.069 -3.527 6.005 1.00 24.10 H new ATOM 0 HG21 VAL A 104 0.694 -2.439 3.649 1.00 1.54 H new ATOM 0 HG22 VAL A 104 1.099 -2.043 5.337 1.00 1.54 H new ATOM 0 HG23 VAL A 104 2.309 -2.822 4.291 1.00 1.54 H new ATOM 1650 N THR A 105 2.542 -3.120 7.856 1.00 1.52 N ATOM 1651 CA THR A 105 2.599 -2.090 8.894 1.00 50.42 C ATOM 1652 C THR A 105 3.042 -0.774 8.231 1.00 71.20 C ATOM 1653 O THR A 105 4.221 -0.606 7.903 1.00 32.44 O ATOM 1654 CB THR A 105 3.604 -2.505 10.024 1.00 4.02 C ATOM 1655 OG1 THR A 105 3.307 -3.838 10.491 1.00 24.21 O ATOM 1656 CG2 THR A 105 3.570 -1.533 11.217 1.00 30.11 C ATOM 0 H THR A 105 3.456 -3.371 7.479 1.00 1.52 H new ATOM 0 HA THR A 105 1.620 -1.965 9.356 1.00 50.42 H new ATOM 0 HB THR A 105 4.603 -2.473 9.589 1.00 4.02 H new ATOM 0 HG1 THR A 105 3.255 -3.838 11.470 1.00 24.21 H new ATOM 0 HG21 THR A 105 4.282 -1.861 11.974 1.00 30.11 H new ATOM 0 HG22 THR A 105 3.836 -0.532 10.878 1.00 30.11 H new ATOM 0 HG23 THR A 105 2.568 -1.517 11.645 1.00 30.11 H new ATOM 1664 N VAL A 106 2.088 0.146 8.027 1.00 14.43 N ATOM 1665 CA VAL A 106 2.352 1.443 7.383 1.00 34.54 C ATOM 1666 C VAL A 106 2.811 2.459 8.456 1.00 75.42 C ATOM 1667 O VAL A 106 2.033 2.878 9.327 1.00 32.33 O ATOM 1668 CB VAL A 106 1.096 1.961 6.551 1.00 41.13 C ATOM 1669 CG1 VAL A 106 -0.207 2.004 7.388 1.00 31.34 C ATOM 1670 CG2 VAL A 106 1.387 3.331 5.881 1.00 25.25 C ATOM 0 H VAL A 106 1.115 0.014 8.302 1.00 14.43 H new ATOM 0 HA VAL A 106 3.154 1.323 6.655 1.00 34.54 H new ATOM 0 HB VAL A 106 0.927 1.229 5.761 1.00 41.13 H new ATOM 0 HG11 VAL A 106 -1.027 2.365 6.767 1.00 31.34 H new ATOM 0 HG12 VAL A 106 -0.440 1.003 7.750 1.00 31.34 H new ATOM 0 HG13 VAL A 106 -0.072 2.675 8.237 1.00 31.34 H new ATOM 0 HG21 VAL A 106 0.510 3.656 5.321 1.00 25.25 H new ATOM 0 HG22 VAL A 106 1.622 4.069 6.648 1.00 25.25 H new ATOM 0 HG23 VAL A 106 2.234 3.231 5.202 1.00 25.25 H new ATOM 1680 N THR A 107 4.112 2.780 8.426 1.00 13.41 N ATOM 1681 CA THR A 107 4.728 3.735 9.344 1.00 1.01 C ATOM 1682 C THR A 107 4.743 5.116 8.673 1.00 30.13 C ATOM 1683 O THR A 107 5.523 5.372 7.743 1.00 24.24 O ATOM 1684 CB THR A 107 6.179 3.284 9.719 1.00 71.51 C ATOM 1685 OG1 THR A 107 6.150 1.930 10.222 1.00 63.34 O ATOM 1686 CG2 THR A 107 6.824 4.211 10.776 1.00 44.42 C ATOM 0 H THR A 107 4.768 2.378 7.756 1.00 13.41 H new ATOM 0 HA THR A 107 4.152 3.783 10.268 1.00 1.01 H new ATOM 0 HB THR A 107 6.785 3.341 8.814 1.00 71.51 H new ATOM 0 HG1 THR A 107 7.059 1.648 10.455 1.00 63.34 H new ATOM 0 HG21 THR A 107 7.830 3.858 11.004 1.00 44.42 H new ATOM 0 HG22 THR A 107 6.876 5.227 10.385 1.00 44.42 H new ATOM 0 HG23 THR A 107 6.221 4.202 11.684 1.00 44.42 H new ATOM 1694 N GLN A 108 3.829 5.979 9.124 1.00 21.24 N ATOM 1695 CA GLN A 108 3.710 7.352 8.642 1.00 65.13 C ATOM 1696 C GLN A 108 4.657 8.231 9.468 1.00 64.01 C ATOM 1697 O GLN A 108 4.583 8.231 10.702 1.00 55.43 O ATOM 1698 CB GLN A 108 2.232 7.818 8.752 1.00 34.12 C ATOM 1699 CG GLN A 108 1.955 9.240 8.220 1.00 11.21 C ATOM 1700 CD GLN A 108 0.459 9.585 8.170 1.00 63.13 C ATOM 1701 OE1 GLN A 108 -0.395 8.708 8.001 1.00 31.24 O ATOM 1702 NE2 GLN A 108 0.128 10.856 8.295 1.00 62.52 N ATOM 0 H GLN A 108 3.145 5.739 9.842 1.00 21.24 H new ATOM 0 HA GLN A 108 3.992 7.427 7.592 1.00 65.13 H new ATOM 0 HB2 GLN A 108 1.603 7.114 8.207 1.00 34.12 H new ATOM 0 HB3 GLN A 108 1.929 7.772 9.798 1.00 34.12 H new ATOM 0 HG2 GLN A 108 2.468 9.964 8.853 1.00 11.21 H new ATOM 0 HG3 GLN A 108 2.377 9.336 7.220 1.00 11.21 H new ATOM 0 HE21 GLN A 108 0.853 11.560 8.434 1.00 62.52 H new ATOM 0 HE22 GLN A 108 -0.852 11.134 8.253 1.00 62.52 H new ATOM 1711 N ASN A 109 5.568 8.938 8.780 1.00 12.13 N ATOM 1712 CA ASN A 109 6.607 9.769 9.422 1.00 13.01 C ATOM 1713 C ASN A 109 5.984 11.002 10.115 1.00 43.40 C ATOM 1714 O ASN A 109 4.847 11.383 9.812 1.00 53.10 O ATOM 1715 CB ASN A 109 7.663 10.202 8.362 1.00 53.34 C ATOM 1716 CG ASN A 109 8.526 9.053 7.780 1.00 70.05 C ATOM 1717 OD1 ASN A 109 7.986 7.833 7.654 1.00 63.31 O flip ATOM 1718 ND2 ASN A 109 9.685 9.268 7.421 1.00 42.52 N flip ATOM 0 H ASN A 109 5.607 8.951 7.761 1.00 12.13 H new ATOM 0 HA ASN A 109 7.102 9.177 10.192 1.00 13.01 H new ATOM 0 HB2 ASN A 109 7.147 10.699 7.540 1.00 53.34 H new ATOM 0 HB3 ASN A 109 8.326 10.940 8.814 1.00 53.34 H new ATOM 0 HD21 ASN A 109 10.085 10.201 7.522 1.00 42.52 H new ATOM 0 HD22 ASN A 109 10.244 8.513 7.023 1.00 42.52 H new ATOM 1725 N GLY A 110 6.737 11.602 11.055 1.00 73.13 N ATOM 1726 CA GLY A 110 6.281 12.783 11.796 1.00 3.34 C ATOM 1727 C GLY A 110 5.510 12.419 13.060 1.00 34.21 C ATOM 1728 O GLY A 110 4.447 11.802 12.975 1.00 44.42 O ATOM 0 H GLY A 110 7.669 11.282 11.318 1.00 73.13 H new ATOM 0 HA2 GLY A 110 7.143 13.395 12.064 1.00 3.34 H new ATOM 0 HA3 GLY A 110 5.647 13.390 11.150 1.00 3.34 H new ATOM 1732 N GLY A 111 6.056 12.801 14.232 1.00 62.03 N ATOM 1733 CA GLY A 111 5.427 12.539 15.535 1.00 71.41 C ATOM 1734 C GLY A 111 5.802 11.183 16.133 1.00 2.11 C ATOM 1735 O GLY A 111 4.967 10.533 16.768 1.00 3.24 O ATOM 0 H GLY A 111 6.944 13.299 14.298 1.00 62.03 H new ATOM 0 HA2 GLY A 111 5.714 13.326 16.232 1.00 71.41 H new ATOM 0 HA3 GLY A 111 4.344 12.591 15.423 1.00 71.41 H new ATOM 1739 N SER A 112 7.066 10.765 15.943 1.00 33.50 N ATOM 1740 CA SER A 112 7.571 9.472 16.451 1.00 14.22 C ATOM 1741 C SER A 112 8.116 9.634 17.890 1.00 14.12 C ATOM 1742 O SER A 112 9.336 9.719 18.107 1.00 71.25 O ATOM 1743 CB SER A 112 8.650 8.921 15.481 1.00 44.11 C ATOM 1744 OG SER A 112 8.152 8.827 14.151 1.00 24.11 O ATOM 0 H SER A 112 7.765 11.309 15.436 1.00 33.50 H new ATOM 0 HA SER A 112 6.755 8.750 16.496 1.00 14.22 H new ATOM 0 HB2 SER A 112 9.524 9.572 15.499 1.00 44.11 H new ATOM 0 HB3 SER A 112 8.978 7.938 15.819 1.00 44.11 H new ATOM 0 HG SER A 112 8.854 8.479 13.563 1.00 24.11 H new ATOM 1750 N LEU A 113 7.182 9.733 18.867 1.00 1.34 N ATOM 1751 CA LEU A 113 7.512 9.838 20.305 1.00 71.25 C ATOM 1752 C LEU A 113 8.043 8.488 20.824 1.00 73.25 C ATOM 1753 O LEU A 113 7.269 7.548 21.038 1.00 55.11 O ATOM 1754 CB LEU A 113 6.274 10.304 21.155 1.00 71.43 C ATOM 1755 CG LEU A 113 5.899 11.831 21.116 1.00 13.42 C ATOM 1756 CD1 LEU A 113 7.071 12.711 21.612 1.00 75.45 C ATOM 1757 CD2 LEU A 113 5.408 12.275 19.716 1.00 44.22 C ATOM 0 H LEU A 113 6.180 9.742 18.678 1.00 1.34 H new ATOM 0 HA LEU A 113 8.287 10.596 20.415 1.00 71.25 H new ATOM 0 HB2 LEU A 113 5.405 9.736 20.823 1.00 71.43 H new ATOM 0 HB3 LEU A 113 6.457 10.029 22.194 1.00 71.43 H new ATOM 0 HG LEU A 113 5.065 11.973 21.803 1.00 13.42 H new ATOM 0 HD11 LEU A 113 6.780 13.761 21.573 1.00 75.45 H new ATOM 0 HD12 LEU A 113 7.319 12.441 22.639 1.00 75.45 H new ATOM 0 HD13 LEU A 113 7.941 12.552 20.975 1.00 75.45 H new ATOM 0 HD21 LEU A 113 5.161 13.336 19.737 1.00 44.22 H new ATOM 0 HD22 LEU A 113 6.195 12.100 18.982 1.00 44.22 H new ATOM 0 HD23 LEU A 113 4.523 11.701 19.442 1.00 44.22 H new ATOM 1769 N GLU A 114 9.369 8.394 20.975 1.00 13.50 N ATOM 1770 CA GLU A 114 10.025 7.214 21.557 1.00 30.11 C ATOM 1771 C GLU A 114 10.003 7.306 23.094 1.00 13.42 C ATOM 1772 O GLU A 114 10.376 8.339 23.665 1.00 74.43 O ATOM 1773 CB GLU A 114 11.476 7.086 21.039 1.00 51.00 C ATOM 1774 CG GLU A 114 11.582 6.920 19.508 1.00 2.42 C ATOM 1775 CD GLU A 114 13.020 6.675 19.024 1.00 10.12 C ATOM 1776 OE1 GLU A 114 13.355 5.535 18.638 1.00 43.55 O ATOM 1777 OE2 GLU A 114 13.832 7.622 19.040 1.00 21.40 O ATOM 0 H GLU A 114 10.018 9.131 20.698 1.00 13.50 H new ATOM 0 HA GLU A 114 9.478 6.322 21.251 1.00 30.11 H new ATOM 0 HB2 GLU A 114 12.037 7.971 21.338 1.00 51.00 H new ATOM 0 HB3 GLU A 114 11.949 6.230 21.521 1.00 51.00 H new ATOM 0 HG2 GLU A 114 10.953 6.087 19.195 1.00 2.42 H new ATOM 0 HG3 GLU A 114 11.190 7.814 19.024 1.00 2.42 H new ATOM 1784 N HIS A 115 9.581 6.210 23.749 1.00 1.02 N ATOM 1785 CA HIS A 115 9.399 6.155 25.206 1.00 23.45 C ATOM 1786 C HIS A 115 10.730 5.753 25.864 1.00 34.34 C ATOM 1787 O HIS A 115 11.001 4.569 26.094 1.00 1.10 O ATOM 1788 CB HIS A 115 8.248 5.168 25.577 1.00 32.43 C ATOM 1789 CG HIS A 115 6.898 5.517 24.990 1.00 1.20 C ATOM 1790 ND1 HIS A 115 5.792 4.707 25.132 1.00 64.22 N ATOM 1791 CD2 HIS A 115 6.470 6.589 24.268 1.00 55.43 C ATOM 1792 CE1 HIS A 115 4.758 5.259 24.533 1.00 53.51 C ATOM 1793 NE2 HIS A 115 5.142 6.398 24.004 1.00 40.23 N ATOM 0 H HIS A 115 9.356 5.334 23.278 1.00 1.02 H new ATOM 0 HA HIS A 115 9.110 7.137 25.580 1.00 23.45 H new ATOM 0 HB2 HIS A 115 8.525 4.168 25.245 1.00 32.43 H new ATOM 0 HB3 HIS A 115 8.157 5.130 26.663 1.00 32.43 H new ATOM 0 HD2 HIS A 115 7.069 7.434 23.961 1.00 55.43 H new ATOM 0 HE1 HIS A 115 3.762 4.845 24.485 1.00 53.51 H new ATOM 0 HE2 HIS A 115 4.545 7.038 23.480 1.00 40.23 H new ATOM 1802 N HIS A 116 11.594 6.760 26.066 1.00 73.03 N ATOM 1803 CA HIS A 116 12.911 6.602 26.703 1.00 40.24 C ATOM 1804 C HIS A 116 12.860 7.208 28.118 1.00 64.01 C ATOM 1805 O HIS A 116 12.752 8.429 28.274 1.00 10.32 O ATOM 1806 CB HIS A 116 14.015 7.278 25.840 1.00 34.24 C ATOM 1807 CG HIS A 116 15.401 7.244 26.453 1.00 50.23 C ATOM 1808 ND1 HIS A 116 16.249 6.162 26.350 1.00 41.13 N ATOM 1809 CD2 HIS A 116 16.068 8.161 27.201 1.00 60.31 C ATOM 1810 CE1 HIS A 116 17.363 6.415 27.009 1.00 2.20 C ATOM 1811 NE2 HIS A 116 17.279 7.619 27.533 1.00 63.42 N ATOM 0 H HIS A 116 11.395 7.721 25.787 1.00 73.03 H new ATOM 0 HA HIS A 116 13.158 5.543 26.781 1.00 40.24 H new ATOM 0 HB2 HIS A 116 14.050 6.787 24.867 1.00 34.24 H new ATOM 0 HB3 HIS A 116 13.735 8.316 25.663 1.00 34.24 H new ATOM 0 HD2 HIS A 116 15.708 9.140 27.482 1.00 60.31 H new ATOM 0 HE1 HIS A 116 18.205 5.745 27.103 1.00 2.20 H new ATOM 0 HE2 HIS A 116 17.999 8.074 28.095 1.00 63.42 H new ATOM 1820 N HIS A 117 12.893 6.339 29.143 1.00 62.11 N ATOM 1821 CA HIS A 117 12.888 6.741 30.567 1.00 1.11 C ATOM 1822 C HIS A 117 13.925 5.920 31.346 1.00 31.05 C ATOM 1823 O HIS A 117 14.339 4.841 30.901 1.00 31.00 O ATOM 1824 CB HIS A 117 11.484 6.532 31.200 1.00 63.11 C ATOM 1825 CG HIS A 117 10.368 7.241 30.478 1.00 3.20 C ATOM 1826 ND1 HIS A 117 9.486 6.588 29.643 1.00 63.33 N ATOM 1827 CD2 HIS A 117 10.005 8.543 30.451 1.00 31.22 C ATOM 1828 CE1 HIS A 117 8.641 7.454 29.132 1.00 13.03 C ATOM 1829 NE2 HIS A 117 8.934 8.644 29.606 1.00 64.44 N ATOM 0 H HIS A 117 12.924 5.328 29.009 1.00 62.11 H new ATOM 0 HA HIS A 117 13.141 7.800 30.621 1.00 1.11 H new ATOM 0 HB2 HIS A 117 11.265 5.465 31.225 1.00 63.11 H new ATOM 0 HB3 HIS A 117 11.509 6.877 32.234 1.00 63.11 H new ATOM 0 HD2 HIS A 117 10.472 9.351 30.994 1.00 31.22 H new ATOM 0 HE1 HIS A 117 7.843 7.227 28.441 1.00 13.03 H new ATOM 0 HE2 HIS A 117 8.440 9.507 29.379 1.00 64.44 H new ATOM 1838 N HIS A 118 14.342 6.443 32.510 1.00 61.44 N ATOM 1839 CA HIS A 118 15.265 5.735 33.423 1.00 1.14 C ATOM 1840 C HIS A 118 14.539 4.598 34.171 1.00 71.23 C ATOM 1841 O HIS A 118 15.162 3.599 34.541 1.00 12.14 O ATOM 1842 CB HIS A 118 15.918 6.727 34.426 1.00 52.14 C ATOM 1843 CG HIS A 118 16.958 7.630 33.809 1.00 51.01 C ATOM 1844 ND1 HIS A 118 18.287 7.270 33.694 1.00 51.43 N ATOM 1845 CD2 HIS A 118 16.871 8.880 33.286 1.00 3.21 C ATOM 1846 CE1 HIS A 118 18.964 8.256 33.140 1.00 52.02 C ATOM 1847 NE2 HIS A 118 18.131 9.242 32.881 1.00 44.01 N ATOM 0 H HIS A 118 14.054 7.362 32.847 1.00 61.44 H new ATOM 0 HA HIS A 118 16.057 5.289 32.821 1.00 1.14 H new ATOM 0 HB2 HIS A 118 15.137 7.342 34.873 1.00 52.14 H new ATOM 0 HB3 HIS A 118 16.379 6.159 35.235 1.00 52.14 H new ATOM 0 HD2 HIS A 118 15.976 9.479 33.204 1.00 3.21 H new ATOM 0 HE1 HIS A 118 20.024 8.255 32.933 1.00 52.02 H new ATOM 0 HE2 HIS A 118 18.382 10.131 32.449 1.00 44.01 H new ATOM 1856 N HIS A 119 13.217 4.758 34.383 1.00 74.45 N ATOM 1857 CA HIS A 119 12.376 3.753 35.079 1.00 64.42 C ATOM 1858 C HIS A 119 11.047 3.542 34.332 1.00 63.40 C ATOM 1859 O HIS A 119 10.434 4.505 33.854 1.00 14.23 O ATOM 1860 CB HIS A 119 12.104 4.178 36.548 1.00 5.43 C ATOM 1861 CG HIS A 119 13.312 4.100 37.448 1.00 70.21 C ATOM 1862 ND1 HIS A 119 13.751 5.145 38.233 1.00 73.31 N ATOM 1863 CD2 HIS A 119 14.168 3.076 37.687 1.00 11.32 C ATOM 1864 CE1 HIS A 119 14.818 4.767 38.907 1.00 70.43 C ATOM 1865 NE2 HIS A 119 15.089 3.518 38.594 1.00 61.41 N ATOM 0 H HIS A 119 12.700 5.583 34.079 1.00 74.45 H new ATOM 0 HA HIS A 119 12.923 2.810 35.089 1.00 64.42 H new ATOM 0 HB2 HIS A 119 11.725 5.200 36.555 1.00 5.43 H new ATOM 0 HB3 HIS A 119 11.318 3.544 36.958 1.00 5.43 H new ATOM 0 HD2 HIS A 119 14.129 2.093 37.242 1.00 11.32 H new ATOM 0 HE1 HIS A 119 15.376 5.379 39.600 1.00 70.43 H new ATOM 0 HE2 HIS A 119 15.862 2.968 38.968 1.00 61.41 H new ATOM 1874 N HIS A 120 10.625 2.262 34.233 1.00 34.32 N ATOM 1875 CA HIS A 120 9.323 1.875 33.649 1.00 31.21 C ATOM 1876 C HIS A 120 8.195 2.008 34.703 1.00 44.34 C ATOM 1877 O HIS A 120 8.354 1.476 35.824 1.00 50.24 O ATOM 1878 CB HIS A 120 9.368 0.442 33.035 1.00 54.51 C ATOM 1879 CG HIS A 120 9.855 -0.655 33.948 1.00 14.41 C ATOM 1880 ND1 HIS A 120 9.051 -1.262 34.885 1.00 14.20 N ATOM 1881 CD2 HIS A 120 11.064 -1.270 34.044 1.00 71.12 C ATOM 1882 CE1 HIS A 120 9.734 -2.193 35.516 1.00 23.13 C ATOM 1883 NE2 HIS A 120 10.959 -2.219 35.027 1.00 74.44 N ATOM 1884 OXT HIS A 120 7.155 2.634 34.403 1.00 37.87 O ATOM 0 H HIS A 120 11.178 1.468 34.556 1.00 34.32 H new ATOM 0 HA HIS A 120 9.105 2.561 32.830 1.00 31.21 H new ATOM 0 HB2 HIS A 120 8.366 0.184 32.692 1.00 54.51 H new ATOM 0 HB3 HIS A 120 10.010 0.466 32.154 1.00 54.51 H new ATOM 0 HD2 HIS A 120 11.943 -1.051 33.455 1.00 71.12 H new ATOM 0 HE1 HIS A 120 9.355 -2.829 36.302 1.00 23.13 H new ATOM 0 HE2 HIS A 120 11.706 -2.843 35.331 1.00 74.44 H new TER 1893 HIS A 120