USER MOD reduce.3.24.130724 H: found=0, std=0, add=1060, rem=0, adj=51 USER MOD reduce.3.24.130724 removed 890 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 109 TYR OH : rot 98:sc= 1.08 USER MOD Set 1.2: A 129 GLN : amide:sc= 1.05 K(o=2.1,f=-3.4!) USER MOD Set 2.1: A 108 SER OG : rot 180:sc= 0.117 USER MOD Set 2.2: A 130 SER OG : rot 95:sc= 0.122 USER MOD Set 3.1: A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 105 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 92 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 93 THR OG1 : rot 180:sc= -0.226 USER MOD Set 5.1: A 61 GLN :FLIP amide:sc= -2.09 F(o=-3.4,f=-1.9) USER MOD Set 5.2: A 89 LYS NZ :NH3+ 143:sc= 0.238 (180deg=0) USER MOD Set 6.1: A 54 SER OG : rot 126:sc= 0.802 USER MOD Set 6.2: A 57 TYR OH : rot 30:sc= 1 USER MOD Set 7.1: A 25 ASN : amide:sc= -2.03 K(o=-2.1,f=-8.4!) USER MOD Set 7.2: A 27 LYS NZ :NH3+ 172:sc= -0.0883 (180deg=0) USER MOD Set 8.1: A 17 GLN : amide:sc= -0.713 K(o=-1,f=-3.5!) USER MOD Set 8.2: A 21 MET CE :methyl 176:sc= -0.053 (180deg=0) USER MOD Set 8.3: A 62 TYR OH : rot 180:sc= -0.238 USER MOD Single : A 2 THR OG1 : rot -120:sc= 0.184 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 150:sc= -1.79! USER MOD Single : A 6 THR OG1 : rot -25:sc= 0.0945! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc=-0.000876 K(o=-0.00088,f=-1.2) USER MOD Single : A 12 SER OG : rot -160:sc= -0.781 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 18 MET CE :methyl -160:sc= -0.817 (180deg=-1.78!) USER MOD Single : A 19 ASN : amide:sc= -0.539 K(o=-0.54,f=-2.9!) USER MOD Single : A 20 LYS NZ :NH3+ -153:sc= 0.207 (180deg=0.0277) USER MOD Single : A 28 TYR OH : rot 16:sc= -1.93! USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.0264 K(o=-0.026,f=-1.4!) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 42 SER OG : rot -130:sc= -2.25 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.112) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00187 USER MOD Single : A 53 SER OG : rot 180:sc= -0.104 USER MOD Single : A 58 ASN : amide:sc= -0.409 K(o=-0.41,f=-6.4!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -0.645 K(o=-0.65,f=-7.3!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.792 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 ASN :FLIP amide:sc= -2.41! C(o=-2.9!,f=-2.4!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= -0.101 USER MOD Single : A 87 TYR OH : rot 180:sc= -1.25! USER MOD Single : A 91 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= -0.0198 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -2.69 K(o=-2.7,f=-6!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0.00386 USER MOD Single : A 103 SER OG : rot -36:sc= 1.22 USER MOD Single : A 114 GLN :FLIP amide:sc= -0.165 F(o=-0.84,f=-0.16) USER MOD Single : A 116 ASN : amide:sc= -0.268 K(o=-0.27,f=-3.3!) USER MOD Single : A 118 MET CE :methyl 124:sc= -0.136 (180deg=-0.928) USER MOD Single : A 120 ASN : amide:sc= -0.0924 X(o=-0.092,f=0) USER MOD Single : A 126 SER OG : rot 180:sc= -1.05 USER MOD Single : A 127 TYR OH : rot 84:sc= 0.103 USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot 32:sc= -0.351 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 2 125.034 -17.210 0.516 1.00 0.00 N ATOM 2 CA THR A 2 124.906 -16.577 -0.830 1.00 0.00 C ATOM 3 C THR A 2 124.395 -15.138 -0.687 1.00 0.00 C ATOM 4 O THR A 2 123.840 -14.769 0.331 1.00 0.00 O ATOM 5 CB THR A 2 123.900 -17.454 -1.589 1.00 0.00 C ATOM 6 OG1 THR A 2 123.858 -17.050 -2.951 1.00 0.00 O ATOM 7 CG2 THR A 2 122.506 -17.326 -0.967 1.00 0.00 C ATOM 0 HA THR A 2 125.858 -16.517 -1.358 1.00 0.00 H new ATOM 0 HB THR A 2 124.215 -18.495 -1.525 1.00 0.00 H new ATOM 0 HG1 THR A 2 122.949 -16.764 -3.180 1.00 0.00 H new ATOM 0 HG21 THR A 2 121.804 -17.953 -1.516 1.00 0.00 H new ATOM 0 HG22 THR A 2 122.541 -17.646 0.074 1.00 0.00 H new ATOM 0 HG23 THR A 2 122.180 -16.287 -1.016 1.00 0.00 H new ATOM 15 N SER A 3 124.569 -14.327 -1.698 1.00 0.00 N ATOM 16 CA SER A 3 124.083 -12.918 -1.620 1.00 0.00 C ATOM 17 C SER A 3 123.189 -12.630 -2.821 1.00 0.00 C ATOM 18 O SER A 3 123.404 -13.161 -3.893 1.00 0.00 O ATOM 19 CB SER A 3 125.345 -12.058 -1.665 1.00 0.00 C ATOM 20 OG SER A 3 126.196 -12.415 -0.583 1.00 0.00 O ATOM 0 H SER A 3 125.027 -14.580 -2.574 1.00 0.00 H new ATOM 0 HA SER A 3 123.499 -12.719 -0.721 1.00 0.00 H new ATOM 0 HB2 SER A 3 125.863 -12.202 -2.613 1.00 0.00 H new ATOM 0 HB3 SER A 3 125.082 -11.002 -1.603 1.00 0.00 H new ATOM 0 HG SER A 3 127.007 -11.866 -0.610 1.00 0.00 H new ATOM 25 N THR A 4 122.197 -11.793 -2.670 1.00 0.00 N ATOM 26 CA THR A 4 121.315 -11.486 -3.833 1.00 0.00 C ATOM 27 C THR A 4 121.060 -9.981 -3.927 1.00 0.00 C ATOM 28 O THR A 4 121.077 -9.272 -2.937 1.00 0.00 O ATOM 29 CB THR A 4 119.997 -12.234 -3.583 1.00 0.00 C ATOM 30 OG1 THR A 4 119.268 -11.573 -2.564 1.00 0.00 O ATOM 31 CG2 THR A 4 120.276 -13.682 -3.164 1.00 0.00 C ATOM 0 H THR A 4 121.961 -11.313 -1.801 1.00 0.00 H new ATOM 0 HA THR A 4 121.776 -11.796 -4.771 1.00 0.00 H new ATOM 0 HB THR A 4 119.414 -12.244 -4.504 1.00 0.00 H new ATOM 0 HG1 THR A 4 118.308 -11.702 -2.713 1.00 0.00 H new ATOM 0 HG21 THR A 4 119.332 -14.199 -2.990 1.00 0.00 H new ATOM 0 HG22 THR A 4 120.828 -14.190 -3.955 1.00 0.00 H new ATOM 0 HG23 THR A 4 120.867 -13.688 -2.248 1.00 0.00 H new ATOM 39 N VAL A 5 120.808 -9.501 -5.113 1.00 0.00 N ATOM 40 CA VAL A 5 120.529 -8.048 -5.300 1.00 0.00 C ATOM 41 C VAL A 5 119.069 -7.872 -5.714 1.00 0.00 C ATOM 42 O VAL A 5 118.569 -8.593 -6.556 1.00 0.00 O ATOM 43 CB VAL A 5 121.469 -7.595 -6.420 1.00 0.00 C ATOM 44 CG1 VAL A 5 121.290 -6.093 -6.658 1.00 0.00 C ATOM 45 CG2 VAL A 5 122.919 -7.871 -6.017 1.00 0.00 C ATOM 0 H VAL A 5 120.783 -10.057 -5.968 1.00 0.00 H new ATOM 0 HA VAL A 5 120.689 -7.466 -4.393 1.00 0.00 H new ATOM 0 HB VAL A 5 121.234 -8.143 -7.332 1.00 0.00 H new ATOM 0 HG11 VAL A 5 121.959 -5.769 -7.455 1.00 0.00 H new ATOM 0 HG12 VAL A 5 120.258 -5.891 -6.945 1.00 0.00 H new ATOM 0 HG13 VAL A 5 121.526 -5.549 -5.743 1.00 0.00 H new ATOM 0 HG21 VAL A 5 123.586 -7.548 -6.816 1.00 0.00 H new ATOM 0 HG22 VAL A 5 123.154 -7.323 -5.104 1.00 0.00 H new ATOM 0 HG23 VAL A 5 123.051 -8.939 -5.843 1.00 0.00 H new ATOM 55 N THR A 6 118.379 -6.923 -5.138 1.00 0.00 N ATOM 56 CA THR A 6 116.953 -6.717 -5.516 1.00 0.00 C ATOM 57 C THR A 6 116.523 -5.276 -5.234 1.00 0.00 C ATOM 58 O THR A 6 116.699 -4.771 -4.143 1.00 0.00 O ATOM 59 CB THR A 6 116.168 -7.691 -4.636 1.00 0.00 C ATOM 60 OG1 THR A 6 116.693 -9.002 -4.800 1.00 0.00 O ATOM 61 CG2 THR A 6 114.693 -7.675 -5.040 1.00 0.00 C ATOM 0 H THR A 6 118.739 -6.286 -4.427 1.00 0.00 H new ATOM 0 HA THR A 6 116.782 -6.892 -6.578 1.00 0.00 H new ATOM 0 HB THR A 6 116.258 -7.391 -3.592 1.00 0.00 H new ATOM 0 HG1 THR A 6 117.125 -9.074 -5.677 1.00 0.00 H new ATOM 0 HG21 THR A 6 114.136 -8.370 -4.411 1.00 0.00 H new ATOM 0 HG22 THR A 6 114.292 -6.669 -4.913 1.00 0.00 H new ATOM 0 HG23 THR A 6 114.598 -7.974 -6.084 1.00 0.00 H new ATOM 69 N GLY A 7 115.953 -4.613 -6.205 1.00 0.00 N ATOM 70 CA GLY A 7 115.503 -3.207 -5.991 1.00 0.00 C ATOM 71 C GLY A 7 114.699 -2.750 -7.207 1.00 0.00 C ATOM 72 O GLY A 7 114.617 -3.448 -8.198 1.00 0.00 O ATOM 0 H GLY A 7 115.779 -4.985 -7.139 1.00 0.00 H new ATOM 0 HA2 GLY A 7 114.893 -3.140 -5.090 1.00 0.00 H new ATOM 0 HA3 GLY A 7 116.364 -2.555 -5.842 1.00 0.00 H new ATOM 75 N GLY A 8 114.108 -1.584 -7.144 1.00 0.00 N ATOM 76 CA GLY A 8 113.309 -1.092 -8.305 1.00 0.00 C ATOM 77 C GLY A 8 112.680 0.261 -7.967 1.00 0.00 C ATOM 78 O GLY A 8 113.312 1.122 -7.383 1.00 0.00 O ATOM 0 H GLY A 8 114.144 -0.954 -6.342 1.00 0.00 H new ATOM 0 HA2 GLY A 8 113.948 -0.997 -9.183 1.00 0.00 H new ATOM 0 HA3 GLY A 8 112.530 -1.813 -8.554 1.00 0.00 H new ATOM 81 N TYR A 9 111.437 0.453 -8.330 1.00 0.00 N ATOM 82 CA TYR A 9 110.757 1.749 -8.036 1.00 0.00 C ATOM 83 C TYR A 9 109.288 1.498 -7.681 1.00 0.00 C ATOM 84 O TYR A 9 108.740 0.456 -7.995 1.00 0.00 O ATOM 85 CB TYR A 9 110.895 2.572 -9.324 1.00 0.00 C ATOM 86 CG TYR A 9 110.078 1.950 -10.435 1.00 0.00 C ATOM 87 CD1 TYR A 9 110.618 0.911 -11.203 1.00 0.00 C ATOM 88 CD2 TYR A 9 108.783 2.413 -10.697 1.00 0.00 C ATOM 89 CE1 TYR A 9 109.863 0.336 -12.232 1.00 0.00 C ATOM 90 CE2 TYR A 9 108.028 1.837 -11.725 1.00 0.00 C ATOM 91 CZ TYR A 9 108.568 0.799 -12.493 1.00 0.00 C ATOM 92 OH TYR A 9 107.823 0.231 -13.507 1.00 0.00 O ATOM 0 H TYR A 9 110.863 -0.234 -8.819 1.00 0.00 H new ATOM 0 HA TYR A 9 111.194 2.273 -7.186 1.00 0.00 H new ATOM 0 HB2 TYR A 9 110.562 3.595 -9.147 1.00 0.00 H new ATOM 0 HB3 TYR A 9 111.943 2.624 -9.620 1.00 0.00 H new ATOM 0 HD1 TYR A 9 111.617 0.553 -11.001 1.00 0.00 H new ATOM 0 HD2 TYR A 9 108.366 3.215 -10.106 1.00 0.00 H new ATOM 0 HE1 TYR A 9 110.280 -0.465 -12.825 1.00 0.00 H new ATOM 0 HE2 TYR A 9 107.029 2.194 -11.926 1.00 0.00 H new ATOM 0 HH TYR A 9 106.947 0.668 -13.554 1.00 0.00 H new ATOM 101 N ALA A 10 108.647 2.432 -7.020 1.00 0.00 N ATOM 102 CA ALA A 10 107.219 2.215 -6.650 1.00 0.00 C ATOM 103 C ALA A 10 106.426 3.526 -6.666 1.00 0.00 C ATOM 104 O ALA A 10 106.923 4.574 -6.303 1.00 0.00 O ATOM 105 CB ALA A 10 107.271 1.645 -5.232 1.00 0.00 C ATOM 0 H ALA A 10 109.047 3.323 -6.725 1.00 0.00 H new ATOM 0 HA ALA A 10 106.719 1.552 -7.356 1.00 0.00 H new ATOM 0 HB1 ALA A 10 106.257 1.455 -4.879 1.00 0.00 H new ATOM 0 HB2 ALA A 10 107.835 0.713 -5.235 1.00 0.00 H new ATOM 0 HB3 ALA A 10 107.757 2.361 -4.570 1.00 0.00 H new ATOM 111 N GLN A 11 105.179 3.453 -7.051 1.00 0.00 N ATOM 112 CA GLN A 11 104.310 4.664 -7.059 1.00 0.00 C ATOM 113 C GLN A 11 103.224 4.463 -6.003 1.00 0.00 C ATOM 114 O GLN A 11 102.787 3.349 -5.779 1.00 0.00 O ATOM 115 CB GLN A 11 103.704 4.720 -8.463 1.00 0.00 C ATOM 116 CG GLN A 11 104.821 4.899 -9.494 1.00 0.00 C ATOM 117 CD GLN A 11 104.222 4.913 -10.903 1.00 0.00 C ATOM 118 OE1 GLN A 11 103.119 4.450 -11.114 1.00 0.00 O ATOM 119 NE2 GLN A 11 104.910 5.431 -11.885 1.00 0.00 N ATOM 0 H GLN A 11 104.722 2.596 -7.363 1.00 0.00 H new ATOM 0 HA GLN A 11 104.843 5.588 -6.834 1.00 0.00 H new ATOM 0 HB2 GLN A 11 103.149 3.805 -8.668 1.00 0.00 H new ATOM 0 HB3 GLN A 11 102.995 5.545 -8.532 1.00 0.00 H new ATOM 0 HG2 GLN A 11 105.357 5.829 -9.307 1.00 0.00 H new ATOM 0 HG3 GLN A 11 105.546 4.090 -9.404 1.00 0.00 H new ATOM 0 HE21 GLN A 11 105.836 5.820 -11.709 1.00 0.00 H new ATOM 0 HE22 GLN A 11 104.521 5.446 -12.828 1.00 0.00 H new ATOM 126 N SER A 12 102.800 5.498 -5.324 1.00 0.00 N ATOM 127 CA SER A 12 101.769 5.285 -4.266 1.00 0.00 C ATOM 128 C SER A 12 100.809 6.466 -4.135 1.00 0.00 C ATOM 129 O SER A 12 101.151 7.600 -4.407 1.00 0.00 O ATOM 130 CB SER A 12 102.587 5.141 -2.986 1.00 0.00 C ATOM 131 OG SER A 12 103.085 6.416 -2.602 1.00 0.00 O ATOM 0 H SER A 12 103.114 6.460 -5.452 1.00 0.00 H new ATOM 0 HA SER A 12 101.141 4.423 -4.492 1.00 0.00 H new ATOM 0 HB2 SER A 12 101.969 4.724 -2.191 1.00 0.00 H new ATOM 0 HB3 SER A 12 103.413 4.448 -3.144 1.00 0.00 H new ATOM 0 HG SER A 12 103.846 6.301 -1.995 1.00 0.00 H new ATOM 136 N ASP A 13 99.617 6.196 -3.668 1.00 0.00 N ATOM 137 CA ASP A 13 98.628 7.286 -3.449 1.00 0.00 C ATOM 138 C ASP A 13 98.928 7.912 -2.091 1.00 0.00 C ATOM 139 O ASP A 13 99.447 7.249 -1.215 1.00 0.00 O ATOM 140 CB ASP A 13 97.259 6.599 -3.445 1.00 0.00 C ATOM 141 CG ASP A 13 96.970 6.005 -4.829 1.00 0.00 C ATOM 142 OD1 ASP A 13 97.618 6.412 -5.781 1.00 0.00 O ATOM 143 OD2 ASP A 13 96.104 5.150 -4.913 1.00 0.00 O ATOM 0 H ASP A 13 99.287 5.261 -3.429 1.00 0.00 H new ATOM 0 HA ASP A 13 98.661 8.069 -4.207 1.00 0.00 H new ATOM 0 HB2 ASP A 13 97.239 5.813 -2.691 1.00 0.00 H new ATOM 0 HB3 ASP A 13 96.483 7.316 -3.178 1.00 0.00 H new ATOM 147 N ALA A 14 98.632 9.165 -1.896 1.00 0.00 N ATOM 148 CA ALA A 14 98.942 9.785 -0.577 1.00 0.00 C ATOM 149 C ALA A 14 97.711 10.459 0.023 1.00 0.00 C ATOM 150 O ALA A 14 97.361 11.569 -0.333 1.00 0.00 O ATOM 151 CB ALA A 14 100.029 10.813 -0.878 1.00 0.00 C ATOM 0 H ALA A 14 98.195 9.781 -2.582 1.00 0.00 H new ATOM 0 HA ALA A 14 99.263 9.043 0.154 1.00 0.00 H new ATOM 0 HB1 ALA A 14 100.317 11.318 0.044 1.00 0.00 H new ATOM 0 HB2 ALA A 14 100.898 10.310 -1.303 1.00 0.00 H new ATOM 0 HB3 ALA A 14 99.650 11.546 -1.590 1.00 0.00 H new ATOM 157 N GLN A 15 97.064 9.802 0.949 1.00 0.00 N ATOM 158 CA GLN A 15 95.869 10.408 1.598 1.00 0.00 C ATOM 159 C GLN A 15 96.332 11.401 2.665 1.00 0.00 C ATOM 160 O GLN A 15 96.988 11.034 3.623 1.00 0.00 O ATOM 161 CB GLN A 15 95.118 9.236 2.233 1.00 0.00 C ATOM 162 CG GLN A 15 93.778 9.727 2.786 1.00 0.00 C ATOM 163 CD GLN A 15 92.998 8.548 3.379 1.00 0.00 C ATOM 164 OE1 GLN A 15 93.400 7.408 3.251 1.00 0.00 O ATOM 165 NE2 GLN A 15 91.890 8.778 4.027 1.00 0.00 N ATOM 0 H GLN A 15 97.313 8.871 1.283 1.00 0.00 H new ATOM 0 HA GLN A 15 95.233 10.950 0.898 1.00 0.00 H new ATOM 0 HB2 GLN A 15 94.953 8.453 1.493 1.00 0.00 H new ATOM 0 HB3 GLN A 15 95.715 8.798 3.033 1.00 0.00 H new ATOM 0 HG2 GLN A 15 93.946 10.485 3.551 1.00 0.00 H new ATOM 0 HG3 GLN A 15 93.197 10.197 1.993 1.00 0.00 H new ATOM 0 HE21 GLN A 15 91.552 9.734 4.135 1.00 0.00 H new ATOM 0 HE22 GLN A 15 91.362 8.002 4.426 1.00 0.00 H new ATOM 172 N GLY A 16 96.004 12.656 2.500 1.00 0.00 N ATOM 173 CA GLY A 16 96.433 13.683 3.492 1.00 0.00 C ATOM 174 C GLY A 16 97.648 14.456 2.958 1.00 0.00 C ATOM 175 O GLY A 16 98.013 15.487 3.490 1.00 0.00 O ATOM 0 H GLY A 16 95.456 13.014 1.718 1.00 0.00 H new ATOM 0 HA2 GLY A 16 95.613 14.372 3.692 1.00 0.00 H new ATOM 0 HA3 GLY A 16 96.684 13.204 4.438 1.00 0.00 H new ATOM 178 N GLN A 17 98.279 13.971 1.914 1.00 0.00 N ATOM 179 CA GLN A 17 99.468 14.686 1.356 1.00 0.00 C ATOM 180 C GLN A 17 99.111 15.350 0.021 1.00 0.00 C ATOM 181 O GLN A 17 97.994 15.255 -0.450 1.00 0.00 O ATOM 182 CB GLN A 17 100.537 13.613 1.165 1.00 0.00 C ATOM 183 CG GLN A 17 100.931 13.041 2.529 1.00 0.00 C ATOM 184 CD GLN A 17 102.041 11.999 2.358 1.00 0.00 C ATOM 185 OE1 GLN A 17 102.349 11.591 1.257 1.00 0.00 O ATOM 186 NE2 GLN A 17 102.660 11.548 3.415 1.00 0.00 N ATOM 0 H GLN A 17 98.021 13.113 1.426 1.00 0.00 H new ATOM 0 HA GLN A 17 99.816 15.480 2.017 1.00 0.00 H new ATOM 0 HB2 GLN A 17 100.160 12.819 0.520 1.00 0.00 H new ATOM 0 HB3 GLN A 17 101.410 14.038 0.670 1.00 0.00 H new ATOM 0 HG2 GLN A 17 101.271 13.843 3.185 1.00 0.00 H new ATOM 0 HG3 GLN A 17 100.063 12.585 3.006 1.00 0.00 H new ATOM 0 HE21 GLN A 17 102.403 11.889 4.341 1.00 0.00 H new ATOM 0 HE22 GLN A 17 103.401 10.854 3.315 1.00 0.00 H new ATOM 193 N MET A 18 100.044 16.049 -0.571 1.00 0.00 N ATOM 194 CA MET A 18 99.755 16.755 -1.859 1.00 0.00 C ATOM 195 C MET A 18 99.274 15.788 -2.951 1.00 0.00 C ATOM 196 O MET A 18 98.256 16.024 -3.574 1.00 0.00 O ATOM 197 CB MET A 18 101.084 17.399 -2.266 1.00 0.00 C ATOM 198 CG MET A 18 101.484 18.469 -1.241 1.00 0.00 C ATOM 199 SD MET A 18 100.262 19.807 -1.235 1.00 0.00 S ATOM 200 CE MET A 18 100.498 20.337 -2.949 1.00 0.00 C ATOM 0 H MET A 18 100.995 16.163 -0.220 1.00 0.00 H new ATOM 0 HA MET A 18 98.954 17.484 -1.734 1.00 0.00 H new ATOM 0 HB2 MET A 18 101.861 16.638 -2.332 1.00 0.00 H new ATOM 0 HB3 MET A 18 100.992 17.847 -3.255 1.00 0.00 H new ATOM 0 HG2 MET A 18 101.555 18.025 -0.248 1.00 0.00 H new ATOM 0 HG3 MET A 18 102.470 18.866 -1.483 1.00 0.00 H new ATOM 0 HE1 MET A 18 100.121 21.353 -3.071 1.00 0.00 H new ATOM 0 HE2 MET A 18 101.560 20.312 -3.195 1.00 0.00 H new ATOM 0 HE3 MET A 18 99.955 19.666 -3.615 1.00 0.00 H new ATOM 208 N ASN A 19 99.985 14.714 -3.210 1.00 0.00 N ATOM 209 CA ASN A 19 99.535 13.769 -4.285 1.00 0.00 C ATOM 210 C ASN A 19 100.360 12.469 -4.249 1.00 0.00 C ATOM 211 O ASN A 19 100.796 12.035 -3.202 1.00 0.00 O ATOM 212 CB ASN A 19 99.765 14.532 -5.595 1.00 0.00 C ATOM 213 CG ASN A 19 98.710 14.117 -6.624 1.00 0.00 C ATOM 214 OD1 ASN A 19 97.658 13.622 -6.269 1.00 0.00 O ATOM 215 ND2 ASN A 19 98.948 14.300 -7.895 1.00 0.00 N ATOM 0 H ASN A 19 100.847 14.453 -2.731 1.00 0.00 H new ATOM 0 HA ASN A 19 98.494 13.470 -4.164 1.00 0.00 H new ATOM 0 HB2 ASN A 19 99.710 15.606 -5.416 1.00 0.00 H new ATOM 0 HB3 ASN A 19 100.764 14.323 -5.979 1.00 0.00 H new ATOM 0 HD21 ASN A 19 98.252 14.028 -8.589 1.00 0.00 H new ATOM 0 HD22 ASN A 19 99.830 14.715 -8.194 1.00 0.00 H new ATOM 221 N LYS A 20 100.572 11.841 -5.385 1.00 0.00 N ATOM 222 CA LYS A 20 101.357 10.566 -5.415 1.00 0.00 C ATOM 223 C LYS A 20 102.862 10.854 -5.391 1.00 0.00 C ATOM 224 O LYS A 20 103.309 11.908 -5.801 1.00 0.00 O ATOM 225 CB LYS A 20 100.973 9.896 -6.736 1.00 0.00 C ATOM 226 CG LYS A 20 99.481 9.558 -6.727 1.00 0.00 C ATOM 227 CD LYS A 20 99.125 8.786 -7.999 1.00 0.00 C ATOM 228 CE LYS A 20 97.613 8.562 -8.057 1.00 0.00 C ATOM 229 NZ LYS A 20 97.447 7.215 -8.669 1.00 0.00 N ATOM 0 H LYS A 20 100.234 12.159 -6.293 1.00 0.00 H new ATOM 0 HA LYS A 20 101.141 9.938 -4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 20 101.201 10.559 -7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 20 101.561 8.989 -6.879 1.00 0.00 H new ATOM 0 HG2 LYS A 20 99.238 8.962 -5.847 1.00 0.00 H new ATOM 0 HG3 LYS A 20 98.891 10.472 -6.666 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.455 9.341 -8.877 1.00 0.00 H new ATOM 0 HD3 LYS A 20 99.645 7.828 -8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 20 97.170 8.601 -7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 20 97.123 9.330 -8.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 96.529 7.165 -9.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 98.211 7.049 -9.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 97.485 6.489 -7.926 1.00 0.00 H new ATOM 239 N MET A 21 103.645 9.923 -4.906 1.00 0.00 N ATOM 240 CA MET A 21 105.123 10.138 -4.846 1.00 0.00 C ATOM 241 C MET A 21 105.869 8.944 -5.456 1.00 0.00 C ATOM 242 O MET A 21 105.298 7.896 -5.689 1.00 0.00 O ATOM 243 CB MET A 21 105.441 10.258 -3.355 1.00 0.00 C ATOM 244 CG MET A 21 104.717 11.473 -2.773 1.00 0.00 C ATOM 245 SD MET A 21 105.221 11.709 -1.051 1.00 0.00 S ATOM 246 CE MET A 21 104.121 13.098 -0.683 1.00 0.00 C ATOM 0 H MET A 21 103.324 9.023 -4.549 1.00 0.00 H new ATOM 0 HA MET A 21 105.431 11.020 -5.408 1.00 0.00 H new ATOM 0 HB2 MET A 21 105.131 9.353 -2.833 1.00 0.00 H new ATOM 0 HB3 MET A 21 106.517 10.358 -3.209 1.00 0.00 H new ATOM 0 HG2 MET A 21 104.951 12.363 -3.357 1.00 0.00 H new ATOM 0 HG3 MET A 21 103.638 11.329 -2.831 1.00 0.00 H new ATOM 0 HE1 MET A 21 104.215 13.368 0.369 1.00 0.00 H new ATOM 0 HE2 MET A 21 104.394 13.952 -1.302 1.00 0.00 H new ATOM 0 HE3 MET A 21 103.091 12.812 -0.894 1.00 0.00 H new ATOM 254 N GLY A 22 107.148 9.096 -5.700 1.00 0.00 N ATOM 255 CA GLY A 22 107.944 7.971 -6.278 1.00 0.00 C ATOM 256 C GLY A 22 108.674 7.266 -5.137 1.00 0.00 C ATOM 257 O GLY A 22 108.862 7.841 -4.085 1.00 0.00 O ATOM 0 H GLY A 22 107.674 9.952 -5.523 1.00 0.00 H new ATOM 0 HA2 GLY A 22 107.290 7.272 -6.800 1.00 0.00 H new ATOM 0 HA3 GLY A 22 108.658 8.348 -7.010 1.00 0.00 H new ATOM 260 N GLY A 23 109.085 6.033 -5.322 1.00 0.00 N ATOM 261 CA GLY A 23 109.793 5.326 -4.215 1.00 0.00 C ATOM 262 C GLY A 23 110.842 4.362 -4.771 1.00 0.00 C ATOM 263 O GLY A 23 110.532 3.448 -5.509 1.00 0.00 O ATOM 0 H GLY A 23 108.962 5.495 -6.180 1.00 0.00 H new ATOM 0 HA2 GLY A 23 110.272 6.054 -3.560 1.00 0.00 H new ATOM 0 HA3 GLY A 23 109.073 4.777 -3.609 1.00 0.00 H new ATOM 266 N PHE A 24 112.080 4.551 -4.396 1.00 0.00 N ATOM 267 CA PHE A 24 113.166 3.642 -4.869 1.00 0.00 C ATOM 268 C PHE A 24 113.633 2.769 -3.702 1.00 0.00 C ATOM 269 O PHE A 24 113.824 3.254 -2.602 1.00 0.00 O ATOM 270 CB PHE A 24 114.290 4.569 -5.332 1.00 0.00 C ATOM 271 CG PHE A 24 115.407 3.744 -5.927 1.00 0.00 C ATOM 272 CD1 PHE A 24 115.363 3.376 -7.277 1.00 0.00 C ATOM 273 CD2 PHE A 24 116.485 3.346 -5.127 1.00 0.00 C ATOM 274 CE1 PHE A 24 116.398 2.610 -7.828 1.00 0.00 C ATOM 275 CE2 PHE A 24 117.519 2.580 -5.678 1.00 0.00 C ATOM 276 CZ PHE A 24 117.476 2.212 -7.028 1.00 0.00 C ATOM 0 H PHE A 24 112.388 5.302 -3.778 1.00 0.00 H new ATOM 0 HA PHE A 24 112.843 2.977 -5.670 1.00 0.00 H new ATOM 0 HB2 PHE A 24 113.912 5.276 -6.070 1.00 0.00 H new ATOM 0 HB3 PHE A 24 114.663 5.154 -4.492 1.00 0.00 H new ATOM 0 HD1 PHE A 24 114.531 3.683 -7.894 1.00 0.00 H new ATOM 0 HD2 PHE A 24 116.519 3.630 -4.086 1.00 0.00 H new ATOM 0 HE1 PHE A 24 116.365 2.326 -8.870 1.00 0.00 H new ATOM 0 HE2 PHE A 24 118.351 2.273 -5.061 1.00 0.00 H new ATOM 0 HZ PHE A 24 118.274 1.621 -7.452 1.00 0.00 H new ATOM 285 N ASN A 25 113.805 1.490 -3.917 1.00 0.00 N ATOM 286 CA ASN A 25 114.246 0.612 -2.793 1.00 0.00 C ATOM 287 C ASN A 25 115.291 -0.419 -3.241 1.00 0.00 C ATOM 288 O ASN A 25 115.099 -1.143 -4.197 1.00 0.00 O ATOM 289 CB ASN A 25 112.966 -0.083 -2.311 1.00 0.00 C ATOM 290 CG ASN A 25 112.438 -1.022 -3.400 1.00 0.00 C ATOM 291 OD1 ASN A 25 112.669 -0.804 -4.573 1.00 0.00 O ATOM 292 ND2 ASN A 25 111.735 -2.067 -3.058 1.00 0.00 N ATOM 0 H ASN A 25 113.661 1.020 -4.811 1.00 0.00 H new ATOM 0 HA ASN A 25 114.730 1.190 -2.006 1.00 0.00 H new ATOM 0 HB2 ASN A 25 113.169 -0.647 -1.400 1.00 0.00 H new ATOM 0 HB3 ASN A 25 112.209 0.661 -2.063 1.00 0.00 H new ATOM 0 HD21 ASN A 25 111.380 -2.700 -3.775 1.00 0.00 H new ATOM 0 HD22 ASN A 25 111.541 -2.251 -2.074 1.00 0.00 H new ATOM 298 N LEU A 26 116.383 -0.500 -2.527 1.00 0.00 N ATOM 299 CA LEU A 26 117.443 -1.497 -2.866 1.00 0.00 C ATOM 300 C LEU A 26 117.656 -2.390 -1.648 1.00 0.00 C ATOM 301 O LEU A 26 117.834 -1.892 -0.551 1.00 0.00 O ATOM 302 CB LEU A 26 118.696 -0.672 -3.164 1.00 0.00 C ATOM 303 CG LEU A 26 119.818 -1.597 -3.639 1.00 0.00 C ATOM 304 CD1 LEU A 26 119.518 -2.077 -5.060 1.00 0.00 C ATOM 305 CD2 LEU A 26 121.144 -0.834 -3.629 1.00 0.00 C ATOM 0 H LEU A 26 116.588 0.086 -1.718 1.00 0.00 H new ATOM 0 HA LEU A 26 117.188 -2.132 -3.715 1.00 0.00 H new ATOM 0 HB2 LEU A 26 118.479 0.075 -3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 26 119.010 -0.132 -2.270 1.00 0.00 H new ATOM 0 HG LEU A 26 119.886 -2.457 -2.973 1.00 0.00 H new ATOM 0 HD11 LEU A 26 120.318 -2.736 -5.398 1.00 0.00 H new ATOM 0 HD12 LEU A 26 118.573 -2.620 -5.069 1.00 0.00 H new ATOM 0 HD13 LEU A 26 119.449 -1.218 -5.727 1.00 0.00 H new ATOM 0 HD21 LEU A 26 121.945 -1.492 -3.967 1.00 0.00 H new ATOM 0 HD22 LEU A 26 121.074 0.025 -4.296 1.00 0.00 H new ATOM 0 HD23 LEU A 26 121.359 -0.491 -2.617 1.00 0.00 H new ATOM 316 N LYS A 27 117.600 -3.693 -1.790 1.00 0.00 N ATOM 317 CA LYS A 27 117.759 -4.556 -0.584 1.00 0.00 C ATOM 318 C LYS A 27 118.814 -5.649 -0.802 1.00 0.00 C ATOM 319 O LYS A 27 118.945 -6.203 -1.875 1.00 0.00 O ATOM 320 CB LYS A 27 116.384 -5.206 -0.392 1.00 0.00 C ATOM 321 CG LYS A 27 115.290 -4.134 -0.355 1.00 0.00 C ATOM 322 CD LYS A 27 113.943 -4.793 -0.045 1.00 0.00 C ATOM 323 CE LYS A 27 112.817 -3.765 -0.203 1.00 0.00 C ATOM 324 NZ LYS A 27 111.782 -4.452 -1.025 1.00 0.00 N ATOM 0 H LYS A 27 117.454 -4.186 -2.671 1.00 0.00 H new ATOM 0 HA LYS A 27 118.089 -3.974 0.277 1.00 0.00 H new ATOM 0 HB2 LYS A 27 116.189 -5.907 -1.204 1.00 0.00 H new ATOM 0 HB3 LYS A 27 116.372 -5.780 0.534 1.00 0.00 H new ATOM 0 HG2 LYS A 27 115.524 -3.386 0.402 1.00 0.00 H new ATOM 0 HG3 LYS A 27 115.242 -3.615 -1.312 1.00 0.00 H new ATOM 0 HD2 LYS A 27 113.776 -5.635 -0.716 1.00 0.00 H new ATOM 0 HD3 LYS A 27 113.946 -5.190 0.970 1.00 0.00 H new ATOM 0 HE2 LYS A 27 112.417 -3.465 0.766 1.00 0.00 H new ATOM 0 HE3 LYS A 27 113.175 -2.860 -0.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 110.924 -3.866 -1.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 112.145 -4.598 -1.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 111.554 -5.372 -0.598 1.00 0.00 H new ATOM 334 N TYR A 28 119.544 -5.974 0.233 1.00 0.00 N ATOM 335 CA TYR A 28 120.579 -7.047 0.133 1.00 0.00 C ATOM 336 C TYR A 28 120.139 -8.243 0.985 1.00 0.00 C ATOM 337 O TYR A 28 119.589 -8.072 2.056 1.00 0.00 O ATOM 338 CB TYR A 28 121.859 -6.425 0.692 1.00 0.00 C ATOM 339 CG TYR A 28 122.286 -5.272 -0.184 1.00 0.00 C ATOM 340 CD1 TYR A 28 123.052 -5.513 -1.332 1.00 0.00 C ATOM 341 CD2 TYR A 28 121.919 -3.963 0.150 1.00 0.00 C ATOM 342 CE1 TYR A 28 123.449 -4.446 -2.145 1.00 0.00 C ATOM 343 CE2 TYR A 28 122.318 -2.896 -0.663 1.00 0.00 C ATOM 344 CZ TYR A 28 123.083 -3.137 -1.811 1.00 0.00 C ATOM 345 OH TYR A 28 123.476 -2.084 -2.612 1.00 0.00 O ATOM 0 H TYR A 28 119.467 -5.538 1.152 1.00 0.00 H new ATOM 0 HA TYR A 28 120.726 -7.403 -0.887 1.00 0.00 H new ATOM 0 HB2 TYR A 28 121.691 -6.078 1.712 1.00 0.00 H new ATOM 0 HB3 TYR A 28 122.650 -7.174 0.736 1.00 0.00 H new ATOM 0 HD1 TYR A 28 123.336 -6.523 -1.589 1.00 0.00 H new ATOM 0 HD2 TYR A 28 121.328 -3.777 1.035 1.00 0.00 H new ATOM 0 HE1 TYR A 28 124.038 -4.632 -3.031 1.00 0.00 H new ATOM 0 HE2 TYR A 28 122.036 -1.886 -0.405 1.00 0.00 H new ATOM 0 HH TYR A 28 123.771 -2.427 -3.481 1.00 0.00 H new ATOM 354 N ARG A 29 120.354 -9.450 0.519 1.00 0.00 N ATOM 355 CA ARG A 29 119.913 -10.636 1.319 1.00 0.00 C ATOM 356 C ARG A 29 121.072 -11.590 1.613 1.00 0.00 C ATOM 357 O ARG A 29 121.881 -11.897 0.757 1.00 0.00 O ATOM 358 CB ARG A 29 118.874 -11.339 0.446 1.00 0.00 C ATOM 359 CG ARG A 29 118.265 -12.515 1.217 1.00 0.00 C ATOM 360 CD ARG A 29 117.159 -13.158 0.376 1.00 0.00 C ATOM 361 NE ARG A 29 117.873 -13.828 -0.746 1.00 0.00 N ATOM 362 CZ ARG A 29 117.649 -15.088 -1.003 1.00 0.00 C ATOM 363 NH1 ARG A 29 117.624 -15.958 -0.030 1.00 0.00 N ATOM 364 NH2 ARG A 29 117.451 -15.479 -2.232 1.00 0.00 N ATOM 0 H ARG A 29 120.809 -9.664 -0.368 1.00 0.00 H new ATOM 0 HA ARG A 29 119.518 -10.327 2.287 1.00 0.00 H new ATOM 0 HB2 ARG A 29 118.092 -10.637 0.157 1.00 0.00 H new ATOM 0 HB3 ARG A 29 119.338 -11.695 -0.474 1.00 0.00 H new ATOM 0 HG2 ARG A 29 119.036 -13.251 1.448 1.00 0.00 H new ATOM 0 HG3 ARG A 29 117.859 -12.169 2.168 1.00 0.00 H new ATOM 0 HD2 ARG A 29 116.583 -13.874 0.962 1.00 0.00 H new ATOM 0 HD3 ARG A 29 116.457 -12.410 0.007 1.00 0.00 H new ATOM 0 HE ARG A 29 118.537 -13.302 -1.314 1.00 0.00 H new ATOM 0 HH11 ARG A 29 117.779 -15.653 0.931 1.00 0.00 H new ATOM 0 HH12 ARG A 29 117.449 -16.943 -0.231 1.00 0.00 H new ATOM 0 HH21 ARG A 29 117.471 -14.800 -2.993 1.00 0.00 H new ATOM 0 HH22 ARG A 29 117.276 -16.464 -2.432 1.00 0.00 H new ATOM 375 N TYR A 30 121.123 -12.081 2.822 1.00 0.00 N ATOM 376 CA TYR A 30 122.187 -13.051 3.211 1.00 0.00 C ATOM 377 C TYR A 30 121.520 -14.339 3.701 1.00 0.00 C ATOM 378 O TYR A 30 120.536 -14.297 4.413 1.00 0.00 O ATOM 379 CB TYR A 30 122.960 -12.372 4.343 1.00 0.00 C ATOM 380 CG TYR A 30 123.579 -11.091 3.835 1.00 0.00 C ATOM 381 CD1 TYR A 30 124.772 -11.134 3.103 1.00 0.00 C ATOM 382 CD2 TYR A 30 122.960 -9.862 4.095 1.00 0.00 C ATOM 383 CE1 TYR A 30 125.346 -9.947 2.631 1.00 0.00 C ATOM 384 CE2 TYR A 30 123.534 -8.676 3.624 1.00 0.00 C ATOM 385 CZ TYR A 30 124.728 -8.718 2.892 1.00 0.00 C ATOM 386 OH TYR A 30 125.294 -7.549 2.427 1.00 0.00 O ATOM 0 H TYR A 30 120.465 -11.848 3.565 1.00 0.00 H new ATOM 0 HA TYR A 30 122.851 -13.312 2.387 1.00 0.00 H new ATOM 0 HB2 TYR A 30 122.291 -12.159 5.177 1.00 0.00 H new ATOM 0 HB3 TYR A 30 123.736 -13.039 4.719 1.00 0.00 H new ATOM 0 HD1 TYR A 30 125.249 -12.082 2.903 1.00 0.00 H new ATOM 0 HD2 TYR A 30 122.040 -9.830 4.659 1.00 0.00 H new ATOM 0 HE1 TYR A 30 126.266 -9.980 2.066 1.00 0.00 H new ATOM 0 HE2 TYR A 30 123.057 -7.728 3.825 1.00 0.00 H new ATOM 0 HH TYR A 30 124.738 -6.787 2.694 1.00 0.00 H new ATOM 395 N GLU A 31 122.035 -15.481 3.326 1.00 0.00 N ATOM 396 CA GLU A 31 121.412 -16.762 3.775 1.00 0.00 C ATOM 397 C GLU A 31 122.492 -17.796 4.097 1.00 0.00 C ATOM 398 O GLU A 31 123.557 -17.790 3.512 1.00 0.00 O ATOM 399 CB GLU A 31 120.564 -17.225 2.590 1.00 0.00 C ATOM 400 CG GLU A 31 119.762 -18.468 2.992 1.00 0.00 C ATOM 401 CD GLU A 31 118.983 -19.007 1.785 1.00 0.00 C ATOM 402 OE1 GLU A 31 119.112 -18.443 0.709 1.00 0.00 O ATOM 403 OE2 GLU A 31 118.267 -19.980 1.958 1.00 0.00 O ATOM 0 H GLU A 31 122.857 -15.582 2.731 1.00 0.00 H new ATOM 0 HA GLU A 31 120.817 -16.635 4.680 1.00 0.00 H new ATOM 0 HB2 GLU A 31 119.889 -16.428 2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 31 121.204 -17.452 1.737 1.00 0.00 H new ATOM 0 HG2 GLU A 31 120.435 -19.237 3.373 1.00 0.00 H new ATOM 0 HG3 GLU A 31 119.072 -18.220 3.798 1.00 0.00 H new ATOM 408 N GLU A 32 122.225 -18.688 5.017 1.00 0.00 N ATOM 409 CA GLU A 32 123.237 -19.725 5.366 1.00 0.00 C ATOM 410 C GLU A 32 122.808 -21.078 4.792 1.00 0.00 C ATOM 411 O GLU A 32 121.658 -21.464 4.877 1.00 0.00 O ATOM 412 CB GLU A 32 123.254 -19.768 6.895 1.00 0.00 C ATOM 413 CG GLU A 32 123.671 -18.399 7.441 1.00 0.00 C ATOM 414 CD GLU A 32 123.757 -18.447 8.972 1.00 0.00 C ATOM 415 OE1 GLU A 32 123.291 -19.418 9.549 1.00 0.00 O ATOM 416 OE2 GLU A 32 124.285 -17.507 9.543 1.00 0.00 O ATOM 0 H GLU A 32 121.351 -18.741 5.540 1.00 0.00 H new ATOM 0 HA GLU A 32 124.223 -19.500 4.960 1.00 0.00 H new ATOM 0 HB2 GLU A 32 122.267 -20.037 7.273 1.00 0.00 H new ATOM 0 HB3 GLU A 32 123.947 -20.535 7.240 1.00 0.00 H new ATOM 0 HG2 GLU A 32 124.636 -18.111 7.024 1.00 0.00 H new ATOM 0 HG3 GLU A 32 122.951 -17.641 7.133 1.00 0.00 H new ATOM 421 N ASP A 33 123.727 -21.794 4.207 1.00 0.00 N ATOM 422 CA ASP A 33 123.388 -23.124 3.619 1.00 0.00 C ATOM 423 C ASP A 33 122.897 -24.086 4.706 1.00 0.00 C ATOM 424 O ASP A 33 122.213 -25.051 4.425 1.00 0.00 O ATOM 425 CB ASP A 33 124.695 -23.634 3.004 1.00 0.00 C ATOM 426 CG ASP A 33 125.098 -22.744 1.822 1.00 0.00 C ATOM 427 OD1 ASP A 33 124.250 -22.017 1.328 1.00 0.00 O ATOM 428 OD2 ASP A 33 126.251 -22.809 1.427 1.00 0.00 O ATOM 0 H ASP A 33 124.703 -21.516 4.109 1.00 0.00 H new ATOM 0 HA ASP A 33 122.589 -23.050 2.881 1.00 0.00 H new ATOM 0 HB2 ASP A 33 125.485 -23.635 3.755 1.00 0.00 H new ATOM 0 HB3 ASP A 33 124.572 -24.664 2.669 1.00 0.00 H new ATOM 432 N ASN A 34 123.255 -23.842 5.940 1.00 0.00 N ATOM 433 CA ASN A 34 122.820 -24.759 7.039 1.00 0.00 C ATOM 434 C ASN A 34 121.293 -24.801 7.148 1.00 0.00 C ATOM 435 O ASN A 34 120.708 -25.854 7.316 1.00 0.00 O ATOM 436 CB ASN A 34 123.429 -24.169 8.314 1.00 0.00 C ATOM 437 CG ASN A 34 124.956 -24.230 8.232 1.00 0.00 C ATOM 438 OD1 ASN A 34 125.508 -24.972 7.444 1.00 0.00 O ATOM 439 ND2 ASN A 34 125.667 -23.472 9.021 1.00 0.00 N ATOM 0 H ASN A 34 123.827 -23.051 6.235 1.00 0.00 H new ATOM 0 HA ASN A 34 123.146 -25.784 6.860 1.00 0.00 H new ATOM 0 HB2 ASN A 34 123.103 -23.137 8.440 1.00 0.00 H new ATOM 0 HB3 ASN A 34 123.080 -24.723 9.185 1.00 0.00 H new ATOM 0 HD21 ASN A 34 126.686 -23.503 8.976 1.00 0.00 H new ATOM 0 HD22 ASN A 34 125.204 -22.849 9.683 1.00 0.00 H new ATOM 445 N SER A 35 120.641 -23.670 7.065 1.00 0.00 N ATOM 446 CA SER A 35 119.151 -23.656 7.176 1.00 0.00 C ATOM 447 C SER A 35 118.545 -22.649 6.189 1.00 0.00 C ATOM 448 O SER A 35 119.260 -21.872 5.587 1.00 0.00 O ATOM 449 CB SER A 35 118.874 -23.225 8.617 1.00 0.00 C ATOM 450 OG SER A 35 118.995 -24.353 9.475 1.00 0.00 O ATOM 0 H SER A 35 121.074 -22.757 6.925 1.00 0.00 H new ATOM 0 HA SER A 35 118.711 -24.625 6.941 1.00 0.00 H new ATOM 0 HB2 SER A 35 119.576 -22.447 8.918 1.00 0.00 H new ATOM 0 HB3 SER A 35 117.874 -22.799 8.696 1.00 0.00 H new ATOM 0 HG SER A 35 118.820 -24.081 10.400 1.00 0.00 H new ATOM 455 N PRO A 36 117.236 -22.689 6.054 1.00 0.00 N ATOM 456 CA PRO A 36 116.539 -21.761 5.132 1.00 0.00 C ATOM 457 C PRO A 36 116.276 -20.404 5.809 1.00 0.00 C ATOM 458 O PRO A 36 115.217 -19.826 5.659 1.00 0.00 O ATOM 459 CB PRO A 36 115.224 -22.475 4.842 1.00 0.00 C ATOM 460 CG PRO A 36 114.979 -23.370 6.021 1.00 0.00 C ATOM 461 CD PRO A 36 116.295 -23.592 6.728 1.00 0.00 C ATOM 0 HA PRO A 36 117.119 -21.542 4.235 1.00 0.00 H new ATOM 0 HB2 PRO A 36 114.410 -21.761 4.717 1.00 0.00 H new ATOM 0 HB3 PRO A 36 115.287 -23.052 3.919 1.00 0.00 H new ATOM 0 HG2 PRO A 36 114.256 -22.916 6.698 1.00 0.00 H new ATOM 0 HG3 PRO A 36 114.558 -24.321 5.695 1.00 0.00 H new ATOM 0 HD2 PRO A 36 116.218 -23.362 7.791 1.00 0.00 H new ATOM 0 HD3 PRO A 36 116.617 -24.630 6.649 1.00 0.00 H new ATOM 466 N LEU A 37 117.228 -19.899 6.550 1.00 0.00 N ATOM 467 CA LEU A 37 117.029 -18.587 7.233 1.00 0.00 C ATOM 468 C LEU A 37 117.523 -17.449 6.337 1.00 0.00 C ATOM 469 O LEU A 37 118.681 -17.390 5.973 1.00 0.00 O ATOM 470 CB LEU A 37 117.868 -18.671 8.509 1.00 0.00 C ATOM 471 CG LEU A 37 117.517 -17.501 9.429 1.00 0.00 C ATOM 472 CD1 LEU A 37 117.829 -17.878 10.879 1.00 0.00 C ATOM 473 CD2 LEU A 37 118.345 -16.276 9.034 1.00 0.00 C ATOM 0 H LEU A 37 118.134 -20.339 6.711 1.00 0.00 H new ATOM 0 HA LEU A 37 115.980 -18.388 7.451 1.00 0.00 H new ATOM 0 HB2 LEU A 37 117.681 -19.616 9.018 1.00 0.00 H new ATOM 0 HB3 LEU A 37 118.929 -18.647 8.261 1.00 0.00 H new ATOM 0 HG LEU A 37 116.456 -17.271 9.333 1.00 0.00 H new ATOM 0 HD11 LEU A 37 117.579 -17.043 11.534 1.00 0.00 H new ATOM 0 HD12 LEU A 37 117.241 -18.751 11.163 1.00 0.00 H new ATOM 0 HD13 LEU A 37 118.890 -18.109 10.975 1.00 0.00 H new ATOM 0 HD21 LEU A 37 118.095 -15.441 9.689 1.00 0.00 H new ATOM 0 HD22 LEU A 37 119.406 -16.508 9.129 1.00 0.00 H new ATOM 0 HD23 LEU A 37 118.124 -16.005 8.002 1.00 0.00 H new ATOM 484 N GLY A 38 116.646 -16.547 5.976 1.00 0.00 N ATOM 485 CA GLY A 38 117.062 -15.416 5.100 1.00 0.00 C ATOM 486 C GLY A 38 116.657 -14.078 5.724 1.00 0.00 C ATOM 487 O GLY A 38 115.554 -13.910 6.197 1.00 0.00 O ATOM 0 H GLY A 38 115.664 -16.547 6.250 1.00 0.00 H new ATOM 0 HA2 GLY A 38 118.141 -15.442 4.950 1.00 0.00 H new ATOM 0 HA3 GLY A 38 116.601 -15.520 4.118 1.00 0.00 H new ATOM 490 N VAL A 39 117.547 -13.123 5.706 1.00 0.00 N ATOM 491 CA VAL A 39 117.231 -11.775 6.267 1.00 0.00 C ATOM 492 C VAL A 39 117.642 -10.715 5.243 1.00 0.00 C ATOM 493 O VAL A 39 118.697 -10.812 4.643 1.00 0.00 O ATOM 494 CB VAL A 39 118.066 -11.665 7.548 1.00 0.00 C ATOM 495 CG1 VAL A 39 119.556 -11.786 7.213 1.00 0.00 C ATOM 496 CG2 VAL A 39 117.804 -10.309 8.209 1.00 0.00 C ATOM 0 H VAL A 39 118.488 -13.219 5.324 1.00 0.00 H new ATOM 0 HA VAL A 39 116.172 -11.633 6.483 1.00 0.00 H new ATOM 0 HB VAL A 39 117.785 -12.469 8.229 1.00 0.00 H new ATOM 0 HG11 VAL A 39 120.142 -11.707 8.128 1.00 0.00 H new ATOM 0 HG12 VAL A 39 119.746 -12.751 6.743 1.00 0.00 H new ATOM 0 HG13 VAL A 39 119.841 -10.987 6.529 1.00 0.00 H new ATOM 0 HG21 VAL A 39 118.396 -10.228 9.120 1.00 0.00 H new ATOM 0 HG22 VAL A 39 118.083 -9.510 7.522 1.00 0.00 H new ATOM 0 HG23 VAL A 39 116.746 -10.223 8.455 1.00 0.00 H new ATOM 506 N ILE A 40 116.823 -9.722 5.007 1.00 0.00 N ATOM 507 CA ILE A 40 117.185 -8.693 3.987 1.00 0.00 C ATOM 508 C ILE A 40 117.141 -7.279 4.577 1.00 0.00 C ATOM 509 O ILE A 40 116.259 -6.942 5.341 1.00 0.00 O ATOM 510 CB ILE A 40 116.117 -8.832 2.897 1.00 0.00 C ATOM 511 CG1 ILE A 40 116.099 -10.266 2.362 1.00 0.00 C ATOM 512 CG2 ILE A 40 116.432 -7.876 1.749 1.00 0.00 C ATOM 513 CD1 ILE A 40 114.893 -10.448 1.439 1.00 0.00 C ATOM 0 H ILE A 40 115.927 -9.580 5.472 1.00 0.00 H new ATOM 0 HA ILE A 40 118.198 -8.842 3.614 1.00 0.00 H new ATOM 0 HB ILE A 40 115.143 -8.592 3.323 1.00 0.00 H new ATOM 0 HG12 ILE A 40 117.021 -10.475 1.820 1.00 0.00 H new ATOM 0 HG13 ILE A 40 116.048 -10.974 3.189 1.00 0.00 H new ATOM 0 HG21 ILE A 40 115.672 -7.975 0.974 1.00 0.00 H new ATOM 0 HG22 ILE A 40 116.440 -6.851 2.121 1.00 0.00 H new ATOM 0 HG23 ILE A 40 117.409 -8.118 1.332 1.00 0.00 H new ATOM 0 HD11 ILE A 40 114.878 -11.469 1.057 1.00 0.00 H new ATOM 0 HD12 ILE A 40 113.976 -10.256 1.996 1.00 0.00 H new ATOM 0 HD13 ILE A 40 114.964 -9.749 0.605 1.00 0.00 H new ATOM 524 N GLY A 41 118.063 -6.439 4.184 1.00 0.00 N ATOM 525 CA GLY A 41 118.056 -5.027 4.668 1.00 0.00 C ATOM 526 C GLY A 41 117.482 -4.171 3.540 1.00 0.00 C ATOM 527 O GLY A 41 117.744 -4.430 2.383 1.00 0.00 O ATOM 0 H GLY A 41 118.824 -6.672 3.546 1.00 0.00 H new ATOM 0 HA2 GLY A 41 117.452 -4.932 5.570 1.00 0.00 H new ATOM 0 HA3 GLY A 41 119.064 -4.702 4.924 1.00 0.00 H new ATOM 530 N SER A 42 116.680 -3.182 3.842 1.00 0.00 N ATOM 531 CA SER A 42 116.086 -2.367 2.738 1.00 0.00 C ATOM 532 C SER A 42 116.097 -0.868 3.041 1.00 0.00 C ATOM 533 O SER A 42 115.824 -0.441 4.146 1.00 0.00 O ATOM 534 CB SER A 42 114.646 -2.862 2.631 1.00 0.00 C ATOM 535 OG SER A 42 113.966 -2.112 1.633 1.00 0.00 O ATOM 0 H SER A 42 116.414 -2.906 4.787 1.00 0.00 H new ATOM 0 HA SER A 42 116.658 -2.485 1.818 1.00 0.00 H new ATOM 0 HB2 SER A 42 114.631 -3.922 2.379 1.00 0.00 H new ATOM 0 HB3 SER A 42 114.140 -2.755 3.591 1.00 0.00 H new ATOM 0 HG SER A 42 113.116 -1.783 1.993 1.00 0.00 H new ATOM 540 N PHE A 43 116.367 -0.066 2.041 1.00 0.00 N ATOM 541 CA PHE A 43 116.351 1.411 2.226 1.00 0.00 C ATOM 542 C PHE A 43 115.358 2.001 1.224 1.00 0.00 C ATOM 543 O PHE A 43 115.358 1.626 0.066 1.00 0.00 O ATOM 544 CB PHE A 43 117.776 1.874 1.921 1.00 0.00 C ATOM 545 CG PHE A 43 118.727 1.264 2.923 1.00 0.00 C ATOM 546 CD1 PHE A 43 118.927 1.881 4.164 1.00 0.00 C ATOM 547 CD2 PHE A 43 119.408 0.081 2.611 1.00 0.00 C ATOM 548 CE1 PHE A 43 119.808 1.314 5.093 1.00 0.00 C ATOM 549 CE2 PHE A 43 120.289 -0.484 3.540 1.00 0.00 C ATOM 550 CZ PHE A 43 120.489 0.132 4.781 1.00 0.00 C ATOM 0 H PHE A 43 116.599 -0.378 1.098 1.00 0.00 H new ATOM 0 HA PHE A 43 116.051 1.721 3.227 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.057 1.579 0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 43 117.834 2.962 1.964 1.00 0.00 H new ATOM 0 HD1 PHE A 43 118.402 2.794 4.404 1.00 0.00 H new ATOM 0 HD2 PHE A 43 119.253 -0.395 1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 43 119.962 1.789 6.051 1.00 0.00 H new ATOM 0 HE2 PHE A 43 120.815 -1.396 3.299 1.00 0.00 H new ATOM 0 HZ PHE A 43 121.169 -0.305 5.498 1.00 0.00 H new ATOM 559 N THR A 44 114.505 2.901 1.642 1.00 0.00 N ATOM 560 CA THR A 44 113.521 3.473 0.678 1.00 0.00 C ATOM 561 C THR A 44 113.510 4.995 0.759 1.00 0.00 C ATOM 562 O THR A 44 113.512 5.567 1.834 1.00 0.00 O ATOM 563 CB THR A 44 112.169 2.904 1.111 1.00 0.00 C ATOM 564 OG1 THR A 44 112.246 1.485 1.151 1.00 0.00 O ATOM 565 CG2 THR A 44 111.091 3.330 0.114 1.00 0.00 C ATOM 0 H THR A 44 114.448 3.260 2.595 1.00 0.00 H new ATOM 0 HA THR A 44 113.764 3.218 -0.353 1.00 0.00 H new ATOM 0 HB THR A 44 111.915 3.283 2.101 1.00 0.00 H new ATOM 0 HG1 THR A 44 111.381 1.118 1.430 1.00 0.00 H new ATOM 0 HG21 THR A 44 110.128 2.924 0.424 1.00 0.00 H new ATOM 0 HG22 THR A 44 111.033 4.418 0.084 1.00 0.00 H new ATOM 0 HG23 THR A 44 111.342 2.952 -0.877 1.00 0.00 H new ATOM 573 N TYR A 45 113.474 5.660 -0.368 1.00 0.00 N ATOM 574 CA TYR A 45 113.435 7.145 -0.362 1.00 0.00 C ATOM 575 C TYR A 45 112.295 7.603 -1.273 1.00 0.00 C ATOM 576 O TYR A 45 112.362 7.461 -2.479 1.00 0.00 O ATOM 577 CB TYR A 45 114.786 7.589 -0.931 1.00 0.00 C ATOM 578 CG TYR A 45 115.911 7.023 -0.096 1.00 0.00 C ATOM 579 CD1 TYR A 45 116.402 7.742 1.000 1.00 0.00 C ATOM 580 CD2 TYR A 45 116.465 5.780 -0.421 1.00 0.00 C ATOM 581 CE1 TYR A 45 117.447 7.217 1.770 1.00 0.00 C ATOM 582 CE2 TYR A 45 117.510 5.254 0.348 1.00 0.00 C ATOM 583 CZ TYR A 45 118.002 5.973 1.443 1.00 0.00 C ATOM 584 OH TYR A 45 119.031 5.455 2.203 1.00 0.00 O ATOM 0 H TYR A 45 113.470 5.232 -1.294 1.00 0.00 H new ATOM 0 HA TYR A 45 113.269 7.564 0.630 1.00 0.00 H new ATOM 0 HB2 TYR A 45 114.883 7.252 -1.963 1.00 0.00 H new ATOM 0 HB3 TYR A 45 114.844 8.677 -0.944 1.00 0.00 H new ATOM 0 HD1 TYR A 45 115.975 8.702 1.252 1.00 0.00 H new ATOM 0 HD2 TYR A 45 116.086 5.225 -1.267 1.00 0.00 H new ATOM 0 HE1 TYR A 45 117.825 7.771 2.616 1.00 0.00 H new ATOM 0 HE2 TYR A 45 117.936 4.294 0.096 1.00 0.00 H new ATOM 0 HH TYR A 45 119.299 4.585 1.841 1.00 0.00 H new ATOM 593 N THR A 46 111.253 8.147 -0.711 1.00 0.00 N ATOM 594 CA THR A 46 110.107 8.609 -1.551 1.00 0.00 C ATOM 595 C THR A 46 109.976 10.126 -1.448 1.00 0.00 C ATOM 596 O THR A 46 110.153 10.694 -0.387 1.00 0.00 O ATOM 597 CB THR A 46 108.877 7.905 -0.968 1.00 0.00 C ATOM 598 OG1 THR A 46 109.050 6.498 -1.064 1.00 0.00 O ATOM 599 CG2 THR A 46 107.619 8.321 -1.736 1.00 0.00 C ATOM 0 H THR A 46 111.142 8.293 0.292 1.00 0.00 H new ATOM 0 HA THR A 46 110.234 8.373 -2.608 1.00 0.00 H new ATOM 0 HB THR A 46 108.764 8.191 0.078 1.00 0.00 H new ATOM 0 HG1 THR A 46 108.265 6.046 -0.690 1.00 0.00 H new ATOM 0 HG21 THR A 46 106.751 7.815 -1.314 1.00 0.00 H new ATOM 0 HG22 THR A 46 107.484 9.400 -1.657 1.00 0.00 H new ATOM 0 HG23 THR A 46 107.725 8.045 -2.785 1.00 0.00 H new ATOM 607 N GLU A 47 109.686 10.798 -2.536 1.00 0.00 N ATOM 608 CA GLU A 47 109.571 12.287 -2.473 1.00 0.00 C ATOM 609 C GLU A 47 108.418 12.772 -3.355 1.00 0.00 C ATOM 610 O GLU A 47 107.933 12.055 -4.210 1.00 0.00 O ATOM 611 CB GLU A 47 110.905 12.808 -3.013 1.00 0.00 C ATOM 612 CG GLU A 47 112.058 12.273 -2.158 1.00 0.00 C ATOM 613 CD GLU A 47 113.391 12.850 -2.648 1.00 0.00 C ATOM 614 OE1 GLU A 47 113.409 13.441 -3.717 1.00 0.00 O ATOM 615 OE2 GLU A 47 114.375 12.691 -1.944 1.00 0.00 O ATOM 0 H GLU A 47 109.526 10.385 -3.455 1.00 0.00 H new ATOM 0 HA GLU A 47 109.368 12.640 -1.462 1.00 0.00 H new ATOM 0 HB2 GLU A 47 111.034 12.496 -4.049 1.00 0.00 H new ATOM 0 HB3 GLU A 47 110.910 13.898 -3.005 1.00 0.00 H new ATOM 0 HG2 GLU A 47 111.900 12.540 -1.113 1.00 0.00 H new ATOM 0 HG3 GLU A 47 112.084 11.184 -2.209 1.00 0.00 H new ATOM 620 N LYS A 48 107.986 13.990 -3.160 1.00 0.00 N ATOM 621 CA LYS A 48 106.874 14.535 -3.993 1.00 0.00 C ATOM 622 C LYS A 48 107.382 14.846 -5.402 1.00 0.00 C ATOM 623 O LYS A 48 108.437 15.426 -5.573 1.00 0.00 O ATOM 624 CB LYS A 48 106.436 15.821 -3.290 1.00 0.00 C ATOM 625 CG LYS A 48 105.235 16.418 -4.026 1.00 0.00 C ATOM 626 CD LYS A 48 104.856 17.756 -3.387 1.00 0.00 C ATOM 627 CE LYS A 48 103.653 18.355 -4.124 1.00 0.00 C ATOM 628 NZ LYS A 48 104.191 19.544 -4.843 1.00 0.00 N ATOM 0 H LYS A 48 108.356 14.632 -2.459 1.00 0.00 H new ATOM 0 HA LYS A 48 106.050 13.828 -4.094 1.00 0.00 H new ATOM 0 HB2 LYS A 48 106.173 15.611 -2.253 1.00 0.00 H new ATOM 0 HB3 LYS A 48 107.258 16.537 -3.272 1.00 0.00 H new ATOM 0 HG2 LYS A 48 105.476 16.562 -5.079 1.00 0.00 H new ATOM 0 HG3 LYS A 48 104.390 15.730 -3.983 1.00 0.00 H new ATOM 0 HD2 LYS A 48 104.615 17.612 -2.334 1.00 0.00 H new ATOM 0 HD3 LYS A 48 105.701 18.443 -3.430 1.00 0.00 H new ATOM 0 HE2 LYS A 48 103.219 17.637 -4.820 1.00 0.00 H new ATOM 0 HE3 LYS A 48 102.865 18.639 -3.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 103.466 19.917 -5.489 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 104.451 20.278 -4.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 105.032 19.268 -5.389 1.00 0.00 H new ATOM 638 N SER A 49 106.641 14.467 -6.411 1.00 0.00 N ATOM 639 CA SER A 49 107.087 14.746 -7.808 1.00 0.00 C ATOM 640 C SER A 49 106.783 16.201 -8.172 1.00 0.00 C ATOM 641 O SER A 49 105.794 16.765 -7.743 1.00 0.00 O ATOM 642 CB SER A 49 106.275 13.793 -8.683 1.00 0.00 C ATOM 643 OG SER A 49 104.936 14.264 -8.773 1.00 0.00 O ATOM 0 H SER A 49 105.750 13.978 -6.328 1.00 0.00 H new ATOM 0 HA SER A 49 108.159 14.600 -7.938 1.00 0.00 H new ATOM 0 HB2 SER A 49 106.717 13.727 -9.677 1.00 0.00 H new ATOM 0 HB3 SER A 49 106.292 12.789 -8.260 1.00 0.00 H new ATOM 0 HG SER A 49 104.412 13.656 -9.335 1.00 0.00 H new ATOM 648 N ARG A 50 107.627 16.812 -8.960 1.00 0.00 N ATOM 649 CA ARG A 50 107.394 18.232 -9.358 1.00 0.00 C ATOM 650 C ARG A 50 107.866 18.458 -10.796 1.00 0.00 C ATOM 651 O ARG A 50 108.637 17.684 -11.331 1.00 0.00 O ATOM 652 CB ARG A 50 108.232 19.062 -8.383 1.00 0.00 C ATOM 653 CG ARG A 50 107.722 18.850 -6.956 1.00 0.00 C ATOM 654 CD ARG A 50 108.471 19.783 -6.003 1.00 0.00 C ATOM 655 NE ARG A 50 108.087 19.326 -4.638 1.00 0.00 N ATOM 656 CZ ARG A 50 107.696 20.193 -3.745 1.00 0.00 C ATOM 657 NH1 ARG A 50 106.850 21.130 -4.074 1.00 0.00 N ATOM 658 NH2 ARG A 50 108.150 20.122 -2.524 1.00 0.00 N ATOM 0 H ARG A 50 108.470 16.388 -9.347 1.00 0.00 H new ATOM 0 HA ARG A 50 106.339 18.504 -9.320 1.00 0.00 H new ATOM 0 HB2 ARG A 50 109.281 18.772 -8.452 1.00 0.00 H new ATOM 0 HB3 ARG A 50 108.175 20.118 -8.647 1.00 0.00 H new ATOM 0 HG2 ARG A 50 106.651 19.047 -6.908 1.00 0.00 H new ATOM 0 HG3 ARG A 50 107.869 17.812 -6.656 1.00 0.00 H new ATOM 0 HD2 ARG A 50 109.549 19.718 -6.153 1.00 0.00 H new ATOM 0 HD3 ARG A 50 108.189 20.823 -6.165 1.00 0.00 H new ATOM 0 HE ARG A 50 108.130 18.335 -4.402 1.00 0.00 H new ATOM 0 HH11 ARG A 50 106.495 21.184 -5.029 1.00 0.00 H new ATOM 0 HH12 ARG A 50 106.544 21.808 -3.377 1.00 0.00 H new ATOM 0 HH21 ARG A 50 108.811 19.389 -2.267 1.00 0.00 H new ATOM 0 HH22 ARG A 50 107.844 20.800 -1.826 1.00 0.00 H new ATOM 669 N THR A 51 107.417 19.515 -11.424 1.00 0.00 N ATOM 670 CA THR A 51 107.849 19.792 -12.828 1.00 0.00 C ATOM 671 C THR A 51 109.379 19.875 -12.895 1.00 0.00 C ATOM 672 O THR A 51 109.997 19.406 -13.832 1.00 0.00 O ATOM 673 CB THR A 51 107.223 21.143 -13.184 1.00 0.00 C ATOM 674 OG1 THR A 51 105.822 21.086 -12.958 1.00 0.00 O ATOM 675 CG2 THR A 51 107.492 21.462 -14.655 1.00 0.00 C ATOM 0 H THR A 51 106.771 20.197 -11.026 1.00 0.00 H new ATOM 0 HA THR A 51 107.537 19.009 -13.519 1.00 0.00 H new ATOM 0 HB THR A 51 107.662 21.923 -12.561 1.00 0.00 H new ATOM 0 HG1 THR A 51 105.419 21.950 -13.183 1.00 0.00 H new ATOM 0 HG21 THR A 51 107.045 22.424 -14.906 1.00 0.00 H new ATOM 0 HG22 THR A 51 108.567 21.505 -14.827 1.00 0.00 H new ATOM 0 HG23 THR A 51 107.055 20.685 -15.282 1.00 0.00 H new ATOM 683 N ALA A 52 109.992 20.460 -11.897 1.00 0.00 N ATOM 684 CA ALA A 52 111.484 20.574 -11.874 1.00 0.00 C ATOM 685 C ALA A 52 112.013 21.158 -13.187 1.00 0.00 C ATOM 686 O ALA A 52 113.127 20.883 -13.589 1.00 0.00 O ATOM 687 CB ALA A 52 111.990 19.143 -11.683 1.00 0.00 C ATOM 0 H ALA A 52 109.519 20.867 -11.090 1.00 0.00 H new ATOM 0 HA ALA A 52 111.824 21.241 -11.082 1.00 0.00 H new ATOM 0 HB1 ALA A 52 113.080 19.143 -11.656 1.00 0.00 H new ATOM 0 HB2 ALA A 52 111.604 18.743 -10.746 1.00 0.00 H new ATOM 0 HB3 ALA A 52 111.648 18.522 -12.511 1.00 0.00 H new ATOM 693 N SER A 53 111.228 21.963 -13.857 1.00 0.00 N ATOM 694 CA SER A 53 111.698 22.561 -15.144 1.00 0.00 C ATOM 695 C SER A 53 112.951 23.407 -14.898 1.00 0.00 C ATOM 696 O SER A 53 113.859 23.437 -15.707 1.00 0.00 O ATOM 697 CB SER A 53 110.543 23.441 -15.623 1.00 0.00 C ATOM 698 OG SER A 53 110.395 24.544 -14.738 1.00 0.00 O ATOM 0 H SER A 53 110.286 22.231 -13.571 1.00 0.00 H new ATOM 0 HA SER A 53 111.960 21.803 -15.882 1.00 0.00 H new ATOM 0 HB2 SER A 53 110.736 23.796 -16.635 1.00 0.00 H new ATOM 0 HB3 SER A 53 109.620 22.862 -15.659 1.00 0.00 H new ATOM 0 HG SER A 53 109.656 25.111 -15.043 1.00 0.00 H new ATOM 703 N SER A 54 113.010 24.084 -13.780 1.00 0.00 N ATOM 704 CA SER A 54 114.208 24.918 -13.468 1.00 0.00 C ATOM 705 C SER A 54 115.334 24.039 -12.911 1.00 0.00 C ATOM 706 O SER A 54 116.500 24.375 -13.006 1.00 0.00 O ATOM 707 CB SER A 54 113.734 25.918 -12.414 1.00 0.00 C ATOM 708 OG SER A 54 113.415 25.225 -11.216 1.00 0.00 O ATOM 0 H SER A 54 112.279 24.095 -13.069 1.00 0.00 H new ATOM 0 HA SER A 54 114.604 25.418 -14.352 1.00 0.00 H new ATOM 0 HB2 SER A 54 114.511 26.658 -12.223 1.00 0.00 H new ATOM 0 HB3 SER A 54 112.861 26.460 -12.777 1.00 0.00 H new ATOM 0 HG SER A 54 113.913 25.617 -10.469 1.00 0.00 H new ATOM 713 N GLY A 55 114.992 22.914 -12.336 1.00 0.00 N ATOM 714 CA GLY A 55 116.039 22.009 -11.777 1.00 0.00 C ATOM 715 C GLY A 55 115.396 20.984 -10.838 1.00 0.00 C ATOM 716 O GLY A 55 114.201 20.997 -10.613 1.00 0.00 O ATOM 0 H GLY A 55 114.033 22.584 -12.230 1.00 0.00 H new ATOM 0 HA2 GLY A 55 116.559 21.497 -12.587 1.00 0.00 H new ATOM 0 HA3 GLY A 55 116.785 22.592 -11.237 1.00 0.00 H new ATOM 719 N ASP A 56 116.186 20.099 -10.290 1.00 0.00 N ATOM 720 CA ASP A 56 115.637 19.066 -9.362 1.00 0.00 C ATOM 721 C ASP A 56 115.663 19.579 -7.918 1.00 0.00 C ATOM 722 O ASP A 56 116.696 19.976 -7.412 1.00 0.00 O ATOM 723 CB ASP A 56 116.565 17.859 -9.520 1.00 0.00 C ATOM 724 CG ASP A 56 116.030 16.677 -8.704 1.00 0.00 C ATOM 725 OD1 ASP A 56 114.871 16.715 -8.322 1.00 0.00 O ATOM 726 OD2 ASP A 56 116.790 15.751 -8.478 1.00 0.00 O ATOM 0 H ASP A 56 117.193 20.047 -10.446 1.00 0.00 H new ATOM 0 HA ASP A 56 114.600 18.817 -9.589 1.00 0.00 H new ATOM 0 HB2 ASP A 56 116.639 17.582 -10.572 1.00 0.00 H new ATOM 0 HB3 ASP A 56 117.570 18.117 -9.187 1.00 0.00 H new ATOM 730 N TYR A 57 114.538 19.569 -7.251 1.00 0.00 N ATOM 731 CA TYR A 57 114.497 20.052 -5.838 1.00 0.00 C ATOM 732 C TYR A 57 114.223 18.886 -4.884 1.00 0.00 C ATOM 733 O TYR A 57 113.412 18.022 -5.159 1.00 0.00 O ATOM 734 CB TYR A 57 113.350 21.062 -5.794 1.00 0.00 C ATOM 735 CG TYR A 57 113.687 22.249 -6.665 1.00 0.00 C ATOM 736 CD1 TYR A 57 114.505 23.270 -6.166 1.00 0.00 C ATOM 737 CD2 TYR A 57 113.184 22.329 -7.969 1.00 0.00 C ATOM 738 CE1 TYR A 57 114.820 24.371 -6.972 1.00 0.00 C ATOM 739 CE2 TYR A 57 113.499 23.430 -8.774 1.00 0.00 C ATOM 740 CZ TYR A 57 114.317 24.451 -8.275 1.00 0.00 C ATOM 741 OH TYR A 57 114.629 25.537 -9.069 1.00 0.00 O ATOM 0 H TYR A 57 113.645 19.247 -7.624 1.00 0.00 H new ATOM 0 HA TYR A 57 115.443 20.497 -5.529 1.00 0.00 H new ATOM 0 HB2 TYR A 57 112.427 20.595 -6.139 1.00 0.00 H new ATOM 0 HB3 TYR A 57 113.178 21.388 -4.768 1.00 0.00 H new ATOM 0 HD1 TYR A 57 114.893 23.208 -5.160 1.00 0.00 H new ATOM 0 HD2 TYR A 57 112.553 21.541 -8.354 1.00 0.00 H new ATOM 0 HE1 TYR A 57 115.451 25.158 -6.588 1.00 0.00 H new ATOM 0 HE2 TYR A 57 113.111 23.492 -9.780 1.00 0.00 H new ATOM 0 HH TYR A 57 115.512 25.882 -8.819 1.00 0.00 H new ATOM 750 N ASN A 58 114.896 18.859 -3.763 1.00 0.00 N ATOM 751 CA ASN A 58 114.684 17.755 -2.779 1.00 0.00 C ATOM 752 C ASN A 58 114.280 18.328 -1.414 1.00 0.00 C ATOM 753 O ASN A 58 114.755 17.889 -0.385 1.00 0.00 O ATOM 754 CB ASN A 58 116.035 17.031 -2.697 1.00 0.00 C ATOM 755 CG ASN A 58 117.095 17.951 -2.077 1.00 0.00 C ATOM 756 OD1 ASN A 58 116.896 19.146 -1.976 1.00 0.00 O ATOM 757 ND2 ASN A 58 118.218 17.439 -1.655 1.00 0.00 N ATOM 0 H ASN A 58 115.586 19.557 -3.485 1.00 0.00 H new ATOM 0 HA ASN A 58 113.883 17.079 -3.079 1.00 0.00 H new ATOM 0 HB2 ASN A 58 115.934 16.126 -2.098 1.00 0.00 H new ATOM 0 HB3 ASN A 58 116.350 16.721 -3.693 1.00 0.00 H new ATOM 0 HD21 ASN A 58 118.929 18.041 -1.240 1.00 0.00 H new ATOM 0 HD22 ASN A 58 118.385 16.436 -1.740 1.00 0.00 H new ATOM 763 N LYS A 59 113.419 19.318 -1.407 1.00 0.00 N ATOM 764 CA LYS A 59 112.984 19.946 -0.115 1.00 0.00 C ATOM 765 C LYS A 59 112.628 18.875 0.929 1.00 0.00 C ATOM 766 O LYS A 59 113.385 18.624 1.847 1.00 0.00 O ATOM 767 CB LYS A 59 111.750 20.776 -0.471 1.00 0.00 C ATOM 768 CG LYS A 59 112.156 21.933 -1.387 1.00 0.00 C ATOM 769 CD LYS A 59 110.945 22.833 -1.639 1.00 0.00 C ATOM 770 CE LYS A 59 111.314 23.919 -2.654 1.00 0.00 C ATOM 771 NZ LYS A 59 110.720 25.172 -2.111 1.00 0.00 N ATOM 0 H LYS A 59 112.996 19.721 -2.243 1.00 0.00 H new ATOM 0 HA LYS A 59 113.777 20.552 0.324 1.00 0.00 H new ATOM 0 HB2 LYS A 59 111.009 20.149 -0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 59 111.285 21.163 0.436 1.00 0.00 H new ATOM 0 HG2 LYS A 59 112.961 22.508 -0.929 1.00 0.00 H new ATOM 0 HG3 LYS A 59 112.538 21.546 -2.332 1.00 0.00 H new ATOM 0 HD2 LYS A 59 110.110 22.240 -2.013 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.618 23.290 -0.705 1.00 0.00 H new ATOM 0 HE2 LYS A 59 112.395 24.009 -2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 59 110.914 23.688 -3.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 110.931 25.963 -2.753 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 109.690 25.060 -2.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 111.124 25.370 -1.173 1.00 0.00 H new ATOM 781 N ASN A 60 111.489 18.244 0.797 1.00 0.00 N ATOM 782 CA ASN A 60 111.101 17.195 1.787 1.00 0.00 C ATOM 783 C ASN A 60 111.229 15.799 1.167 1.00 0.00 C ATOM 784 O ASN A 60 111.000 15.612 -0.013 1.00 0.00 O ATOM 785 CB ASN A 60 109.643 17.509 2.148 1.00 0.00 C ATOM 786 CG ASN A 60 108.745 17.322 0.920 1.00 0.00 C ATOM 787 OD1 ASN A 60 109.215 17.333 -0.200 1.00 0.00 O ATOM 788 ND2 ASN A 60 107.462 17.148 1.087 1.00 0.00 N ATOM 0 H ASN A 60 110.814 18.409 0.050 1.00 0.00 H new ATOM 0 HA ASN A 60 111.743 17.199 2.668 1.00 0.00 H new ATOM 0 HB2 ASN A 60 109.311 16.855 2.954 1.00 0.00 H new ATOM 0 HB3 ASN A 60 109.563 18.532 2.514 1.00 0.00 H new ATOM 0 HD21 ASN A 60 106.855 17.021 0.277 1.00 0.00 H new ATOM 0 HD22 ASN A 60 107.067 17.139 2.027 1.00 0.00 H new ATOM 794 N GLN A 61 111.595 14.820 1.954 1.00 0.00 N ATOM 795 CA GLN A 61 111.739 13.437 1.409 1.00 0.00 C ATOM 796 C GLN A 61 111.290 12.403 2.446 1.00 0.00 C ATOM 797 O GLN A 61 111.138 12.709 3.613 1.00 0.00 O ATOM 798 CB GLN A 61 113.230 13.287 1.087 1.00 0.00 C ATOM 799 CG GLN A 61 114.057 13.389 2.372 1.00 0.00 C ATOM 800 CD GLN A 61 115.542 13.485 2.017 1.00 0.00 C ATOM 801 OE1 GLN A 61 116.413 12.819 2.724 1.00 0.00 O flip ATOM 802 NE2 GLN A 61 115.912 14.174 1.089 1.00 0.00 N flip ATOM 0 H GLN A 61 111.800 14.918 2.948 1.00 0.00 H new ATOM 0 HA GLN A 61 111.120 13.275 0.526 1.00 0.00 H new ATOM 0 HB2 GLN A 61 113.411 12.327 0.604 1.00 0.00 H new ATOM 0 HB3 GLN A 61 113.538 14.061 0.384 1.00 0.00 H new ATOM 0 HG2 GLN A 61 113.752 14.265 2.945 1.00 0.00 H new ATOM 0 HG3 GLN A 61 113.878 12.518 3.002 1.00 0.00 H new ATOM 0 HE21 GLN A 61 115.230 14.694 0.537 1.00 0.00 H new ATOM 0 HE22 GLN A 61 116.905 14.233 0.861 1.00 0.00 H new ATOM 809 N TYR A 62 111.072 11.182 2.025 1.00 0.00 N ATOM 810 CA TYR A 62 110.628 10.132 2.988 1.00 0.00 C ATOM 811 C TYR A 62 111.699 9.048 3.160 1.00 0.00 C ATOM 812 O TYR A 62 112.007 8.305 2.250 1.00 0.00 O ATOM 813 CB TYR A 62 109.358 9.545 2.375 1.00 0.00 C ATOM 814 CG TYR A 62 108.201 10.487 2.610 1.00 0.00 C ATOM 815 CD1 TYR A 62 107.540 10.483 3.843 1.00 0.00 C ATOM 816 CD2 TYR A 62 107.789 11.361 1.597 1.00 0.00 C ATOM 817 CE1 TYR A 62 106.466 11.353 4.064 1.00 0.00 C ATOM 818 CE2 TYR A 62 106.716 12.232 1.819 1.00 0.00 C ATOM 819 CZ TYR A 62 106.053 12.228 3.052 1.00 0.00 C ATOM 820 OH TYR A 62 104.995 13.086 3.270 1.00 0.00 O ATOM 0 H TYR A 62 111.182 10.869 1.060 1.00 0.00 H new ATOM 0 HA TYR A 62 110.453 10.544 3.982 1.00 0.00 H new ATOM 0 HB2 TYR A 62 109.498 9.385 1.306 1.00 0.00 H new ATOM 0 HB3 TYR A 62 109.144 8.572 2.818 1.00 0.00 H new ATOM 0 HD1 TYR A 62 107.858 9.809 4.624 1.00 0.00 H new ATOM 0 HD2 TYR A 62 108.299 11.363 0.645 1.00 0.00 H new ATOM 0 HE1 TYR A 62 105.956 11.349 5.016 1.00 0.00 H new ATOM 0 HE2 TYR A 62 106.399 12.908 1.038 1.00 0.00 H new ATOM 0 HH TYR A 62 104.840 13.624 2.466 1.00 0.00 H new ATOM 829 N TYR A 63 112.252 8.964 4.337 1.00 0.00 N ATOM 830 CA TYR A 63 113.303 7.939 4.614 1.00 0.00 C ATOM 831 C TYR A 63 112.651 6.748 5.303 1.00 0.00 C ATOM 832 O TYR A 63 111.727 6.920 6.075 1.00 0.00 O ATOM 833 CB TYR A 63 114.306 8.629 5.540 1.00 0.00 C ATOM 834 CG TYR A 63 115.483 7.714 5.781 1.00 0.00 C ATOM 835 CD1 TYR A 63 116.542 7.686 4.866 1.00 0.00 C ATOM 836 CD2 TYR A 63 115.516 6.897 6.916 1.00 0.00 C ATOM 837 CE1 TYR A 63 117.636 6.840 5.088 1.00 0.00 C ATOM 838 CE2 TYR A 63 116.609 6.052 7.139 1.00 0.00 C ATOM 839 CZ TYR A 63 117.669 6.022 6.223 1.00 0.00 C ATOM 840 OH TYR A 63 118.747 5.188 6.443 1.00 0.00 O ATOM 0 H TYR A 63 112.021 9.566 5.127 1.00 0.00 H new ATOM 0 HA TYR A 63 113.795 7.572 3.713 1.00 0.00 H new ATOM 0 HB2 TYR A 63 114.645 9.564 5.094 1.00 0.00 H new ATOM 0 HB3 TYR A 63 113.829 8.882 6.487 1.00 0.00 H new ATOM 0 HD1 TYR A 63 116.516 8.316 3.989 1.00 0.00 H new ATOM 0 HD2 TYR A 63 114.698 6.918 7.620 1.00 0.00 H new ATOM 0 HE1 TYR A 63 118.454 6.819 4.383 1.00 0.00 H new ATOM 0 HE2 TYR A 63 116.636 5.423 8.017 1.00 0.00 H new ATOM 0 HH TYR A 63 118.611 4.690 7.276 1.00 0.00 H new ATOM 849 N GLY A 64 113.098 5.540 5.049 1.00 0.00 N ATOM 850 CA GLY A 64 112.449 4.388 5.724 1.00 0.00 C ATOM 851 C GLY A 64 113.440 3.244 5.924 1.00 0.00 C ATOM 852 O GLY A 64 114.086 2.789 5.000 1.00 0.00 O ATOM 0 H GLY A 64 113.866 5.312 4.418 1.00 0.00 H new ATOM 0 HA2 GLY A 64 112.052 4.703 6.689 1.00 0.00 H new ATOM 0 HA3 GLY A 64 111.604 4.042 5.129 1.00 0.00 H new ATOM 855 N ILE A 65 113.525 2.755 7.130 1.00 0.00 N ATOM 856 CA ILE A 65 114.431 1.605 7.419 1.00 0.00 C ATOM 857 C ILE A 65 113.569 0.351 7.430 1.00 0.00 C ATOM 858 O ILE A 65 112.501 0.355 8.007 1.00 0.00 O ATOM 859 CB ILE A 65 115.018 1.875 8.805 1.00 0.00 C ATOM 860 CG1 ILE A 65 115.761 3.215 8.799 1.00 0.00 C ATOM 861 CG2 ILE A 65 115.993 0.755 9.172 1.00 0.00 C ATOM 862 CD1 ILE A 65 116.218 3.553 10.219 1.00 0.00 C ATOM 0 H ILE A 65 113.003 3.104 7.934 1.00 0.00 H new ATOM 0 HA ILE A 65 115.231 1.480 6.690 1.00 0.00 H new ATOM 0 HB ILE A 65 114.211 1.912 9.537 1.00 0.00 H new ATOM 0 HG12 ILE A 65 116.621 3.163 8.132 1.00 0.00 H new ATOM 0 HG13 ILE A 65 115.110 4.002 8.418 1.00 0.00 H new ATOM 0 HG21 ILE A 65 116.412 0.947 10.160 1.00 0.00 H new ATOM 0 HG22 ILE A 65 115.465 -0.199 9.180 1.00 0.00 H new ATOM 0 HG23 ILE A 65 116.798 0.718 8.438 1.00 0.00 H new ATOM 0 HD11 ILE A 65 116.746 4.506 10.214 1.00 0.00 H new ATOM 0 HD12 ILE A 65 115.349 3.623 10.874 1.00 0.00 H new ATOM 0 HD13 ILE A 65 116.884 2.771 10.583 1.00 0.00 H new ATOM 873 N THR A 66 113.988 -0.718 6.801 1.00 0.00 N ATOM 874 CA THR A 66 113.123 -1.932 6.807 1.00 0.00 C ATOM 875 C THR A 66 113.935 -3.221 6.678 1.00 0.00 C ATOM 876 O THR A 66 114.897 -3.296 5.937 1.00 0.00 O ATOM 877 CB THR A 66 112.202 -1.755 5.599 1.00 0.00 C ATOM 878 OG1 THR A 66 111.509 -0.520 5.713 1.00 0.00 O ATOM 879 CG2 THR A 66 111.192 -2.904 5.539 1.00 0.00 C ATOM 0 H THR A 66 114.870 -0.802 6.296 1.00 0.00 H new ATOM 0 HA THR A 66 112.578 -2.025 7.747 1.00 0.00 H new ATOM 0 HB THR A 66 112.800 -1.758 4.688 1.00 0.00 H new ATOM 0 HG1 THR A 66 110.919 -0.403 4.939 1.00 0.00 H new ATOM 0 HG21 THR A 66 110.540 -2.770 4.676 1.00 0.00 H new ATOM 0 HG22 THR A 66 111.724 -3.851 5.449 1.00 0.00 H new ATOM 0 HG23 THR A 66 110.593 -2.909 6.449 1.00 0.00 H new ATOM 887 N ALA A 67 113.528 -4.247 7.377 1.00 0.00 N ATOM 888 CA ALA A 67 114.228 -5.559 7.296 1.00 0.00 C ATOM 889 C ALA A 67 113.183 -6.673 7.423 1.00 0.00 C ATOM 890 O ALA A 67 112.171 -6.498 8.077 1.00 0.00 O ATOM 891 CB ALA A 67 115.191 -5.577 8.484 1.00 0.00 C ATOM 0 H ALA A 67 112.728 -4.229 8.010 1.00 0.00 H new ATOM 0 HA ALA A 67 114.764 -5.705 6.358 1.00 0.00 H new ATOM 0 HB1 ALA A 67 115.744 -6.516 8.490 1.00 0.00 H new ATOM 0 HB2 ALA A 67 115.890 -4.745 8.398 1.00 0.00 H new ATOM 0 HB3 ALA A 67 114.626 -5.482 9.412 1.00 0.00 H new ATOM 897 N GLY A 68 113.396 -7.804 6.801 1.00 0.00 N ATOM 898 CA GLY A 68 112.382 -8.898 6.899 1.00 0.00 C ATOM 899 C GLY A 68 113.028 -10.259 6.615 1.00 0.00 C ATOM 900 O GLY A 68 114.082 -10.333 6.016 1.00 0.00 O ATOM 0 H GLY A 68 114.218 -8.017 6.236 1.00 0.00 H new ATOM 0 HA2 GLY A 68 111.937 -8.901 7.894 1.00 0.00 H new ATOM 0 HA3 GLY A 68 111.574 -8.717 6.190 1.00 0.00 H new ATOM 903 N PRO A 69 112.360 -11.303 7.055 1.00 0.00 N ATOM 904 CA PRO A 69 112.869 -12.680 6.840 1.00 0.00 C ATOM 905 C PRO A 69 112.654 -13.115 5.385 1.00 0.00 C ATOM 906 O PRO A 69 111.898 -12.509 4.650 1.00 0.00 O ATOM 907 CB PRO A 69 112.024 -13.529 7.784 1.00 0.00 C ATOM 908 CG PRO A 69 110.757 -12.759 7.977 1.00 0.00 C ATOM 909 CD PRO A 69 111.083 -11.299 7.788 1.00 0.00 C ATOM 0 HA PRO A 69 113.938 -12.770 7.030 1.00 0.00 H new ATOM 0 HB2 PRO A 69 111.826 -14.513 7.358 1.00 0.00 H new ATOM 0 HB3 PRO A 69 112.535 -13.690 8.733 1.00 0.00 H new ATOM 0 HG2 PRO A 69 110.000 -13.079 7.261 1.00 0.00 H new ATOM 0 HG3 PRO A 69 110.349 -12.935 8.972 1.00 0.00 H new ATOM 0 HD2 PRO A 69 110.303 -10.787 7.225 1.00 0.00 H new ATOM 0 HD3 PRO A 69 111.175 -10.785 8.745 1.00 0.00 H new ATOM 914 N ALA A 70 113.310 -14.169 4.972 1.00 0.00 N ATOM 915 CA ALA A 70 113.147 -14.662 3.573 1.00 0.00 C ATOM 916 C ALA A 70 113.153 -16.193 3.558 1.00 0.00 C ATOM 917 O ALA A 70 113.939 -16.825 4.246 1.00 0.00 O ATOM 918 CB ALA A 70 114.355 -14.113 2.814 1.00 0.00 C ATOM 0 H ALA A 70 113.954 -14.711 5.547 1.00 0.00 H new ATOM 0 HA ALA A 70 112.207 -14.339 3.125 1.00 0.00 H new ATOM 0 HB1 ALA A 70 114.307 -14.434 1.773 1.00 0.00 H new ATOM 0 HB2 ALA A 70 114.349 -13.024 2.859 1.00 0.00 H new ATOM 0 HB3 ALA A 70 115.272 -14.490 3.268 1.00 0.00 H new ATOM 924 N TYR A 71 112.273 -16.793 2.794 1.00 0.00 N ATOM 925 CA TYR A 71 112.212 -18.284 2.745 1.00 0.00 C ATOM 926 C TYR A 71 112.335 -18.790 1.303 1.00 0.00 C ATOM 927 O TYR A 71 111.816 -18.194 0.379 1.00 0.00 O ATOM 928 CB TYR A 71 110.838 -18.645 3.318 1.00 0.00 C ATOM 929 CG TYR A 71 110.730 -18.138 4.736 1.00 0.00 C ATOM 930 CD1 TYR A 71 111.273 -18.882 5.789 1.00 0.00 C ATOM 931 CD2 TYR A 71 110.085 -16.923 4.997 1.00 0.00 C ATOM 932 CE1 TYR A 71 111.173 -18.412 7.104 1.00 0.00 C ATOM 933 CE2 TYR A 71 109.985 -16.452 6.312 1.00 0.00 C ATOM 934 CZ TYR A 71 110.528 -17.196 7.365 1.00 0.00 C ATOM 935 OH TYR A 71 110.429 -16.733 8.661 1.00 0.00 O ATOM 0 H TYR A 71 111.595 -16.313 2.203 1.00 0.00 H new ATOM 0 HA TYR A 71 113.028 -18.739 3.306 1.00 0.00 H new ATOM 0 HB2 TYR A 71 110.051 -18.208 2.704 1.00 0.00 H new ATOM 0 HB3 TYR A 71 110.696 -19.726 3.296 1.00 0.00 H new ATOM 0 HD1 TYR A 71 111.770 -19.820 5.587 1.00 0.00 H new ATOM 0 HD2 TYR A 71 109.665 -16.349 4.184 1.00 0.00 H new ATOM 0 HE1 TYR A 71 111.593 -18.986 7.917 1.00 0.00 H new ATOM 0 HE2 TYR A 71 109.489 -15.514 6.513 1.00 0.00 H new ATOM 0 HH TYR A 71 109.954 -15.876 8.667 1.00 0.00 H new ATOM 944 N ARG A 72 113.001 -19.898 1.116 1.00 0.00 N ATOM 945 CA ARG A 72 113.144 -20.468 -0.258 1.00 0.00 C ATOM 946 C ARG A 72 112.315 -21.751 -0.371 1.00 0.00 C ATOM 947 O ARG A 72 112.533 -22.701 0.357 1.00 0.00 O ATOM 948 CB ARG A 72 114.635 -20.772 -0.412 1.00 0.00 C ATOM 949 CG ARG A 72 114.918 -21.217 -1.848 1.00 0.00 C ATOM 950 CD ARG A 72 116.400 -21.573 -1.992 1.00 0.00 C ATOM 951 NE ARG A 72 116.586 -21.859 -3.441 1.00 0.00 N ATOM 952 CZ ARG A 72 116.672 -23.093 -3.856 1.00 0.00 C ATOM 953 NH1 ARG A 72 117.808 -23.731 -3.773 1.00 0.00 N ATOM 954 NH2 ARG A 72 115.623 -23.689 -4.355 1.00 0.00 N ATOM 0 H ARG A 72 113.453 -20.435 1.856 1.00 0.00 H new ATOM 0 HA ARG A 72 112.792 -19.787 -1.033 1.00 0.00 H new ATOM 0 HB2 ARG A 72 115.224 -19.887 -0.171 1.00 0.00 H new ATOM 0 HB3 ARG A 72 114.932 -21.553 0.288 1.00 0.00 H new ATOM 0 HG2 ARG A 72 114.300 -22.079 -2.101 1.00 0.00 H new ATOM 0 HG3 ARG A 72 114.655 -20.421 -2.545 1.00 0.00 H new ATOM 0 HD2 ARG A 72 117.037 -20.751 -1.667 1.00 0.00 H new ATOM 0 HD3 ARG A 72 116.660 -22.438 -1.382 1.00 0.00 H new ATOM 0 HE ARG A 72 116.646 -21.091 -4.109 1.00 0.00 H new ATOM 0 HH11 ARG A 72 118.628 -23.265 -3.384 1.00 0.00 H new ATOM 0 HH12 ARG A 72 117.876 -24.696 -4.097 1.00 0.00 H new ATOM 0 HH21 ARG A 72 114.736 -23.190 -4.421 1.00 0.00 H new ATOM 0 HH22 ARG A 72 115.691 -24.654 -4.679 1.00 0.00 H new ATOM 965 N ILE A 73 111.363 -21.787 -1.269 1.00 0.00 N ATOM 966 CA ILE A 73 110.523 -23.014 -1.412 1.00 0.00 C ATOM 967 C ILE A 73 111.009 -23.877 -2.591 1.00 0.00 C ATOM 968 O ILE A 73 111.822 -24.763 -2.414 1.00 0.00 O ATOM 969 CB ILE A 73 109.096 -22.492 -1.638 1.00 0.00 C ATOM 970 CG1 ILE A 73 108.651 -21.654 -0.430 1.00 0.00 C ATOM 971 CG2 ILE A 73 108.137 -23.671 -1.820 1.00 0.00 C ATOM 972 CD1 ILE A 73 108.738 -22.491 0.853 1.00 0.00 C ATOM 0 H ILE A 73 111.132 -21.024 -1.906 1.00 0.00 H new ATOM 0 HA ILE A 73 110.578 -23.659 -0.535 1.00 0.00 H new ATOM 0 HB ILE A 73 109.082 -21.871 -2.534 1.00 0.00 H new ATOM 0 HG12 ILE A 73 109.281 -20.769 -0.340 1.00 0.00 H new ATOM 0 HG13 ILE A 73 107.629 -21.304 -0.577 1.00 0.00 H new ATOM 0 HG21 ILE A 73 107.126 -23.296 -1.980 1.00 0.00 H new ATOM 0 HG22 ILE A 73 108.446 -24.261 -2.683 1.00 0.00 H new ATOM 0 HG23 ILE A 73 108.155 -24.296 -0.927 1.00 0.00 H new ATOM 0 HD11 ILE A 73 108.420 -21.888 1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 73 108.089 -23.362 0.764 1.00 0.00 H new ATOM 0 HD13 ILE A 73 109.766 -22.819 1.005 1.00 0.00 H new ATOM 983 N ASN A 74 110.523 -23.632 -3.786 1.00 0.00 N ATOM 984 CA ASN A 74 110.964 -24.447 -4.958 1.00 0.00 C ATOM 985 C ASN A 74 110.837 -23.637 -6.252 1.00 0.00 C ATOM 986 O ASN A 74 110.315 -22.540 -6.261 1.00 0.00 O ATOM 987 CB ASN A 74 110.013 -25.646 -4.989 1.00 0.00 C ATOM 988 CG ASN A 74 110.255 -26.531 -3.764 1.00 0.00 C ATOM 989 OD1 ASN A 74 111.439 -27.042 -3.568 1.00 0.00 O flip ATOM 990 ND2 ASN A 74 109.355 -26.762 -2.982 1.00 0.00 N flip ATOM 0 H ASN A 74 109.841 -22.903 -3.997 1.00 0.00 H new ATOM 0 HA ASN A 74 112.007 -24.751 -4.874 1.00 0.00 H new ATOM 0 HB2 ASN A 74 108.979 -25.301 -5.002 1.00 0.00 H new ATOM 0 HB3 ASN A 74 110.168 -26.222 -5.901 1.00 0.00 H new ATOM 0 HD21 ASN A 74 108.430 -26.362 -3.137 1.00 0.00 H new ATOM 0 HD22 ASN A 74 109.524 -27.356 -2.171 1.00 0.00 H new ATOM 996 N ASP A 75 111.307 -24.180 -7.349 1.00 0.00 N ATOM 997 CA ASP A 75 111.216 -23.463 -8.661 1.00 0.00 C ATOM 998 C ASP A 75 111.809 -22.055 -8.556 1.00 0.00 C ATOM 999 O ASP A 75 111.244 -21.097 -9.047 1.00 0.00 O ATOM 1000 CB ASP A 75 109.719 -23.393 -8.981 1.00 0.00 C ATOM 1001 CG ASP A 75 109.162 -24.808 -9.178 1.00 0.00 C ATOM 1002 OD1 ASP A 75 109.946 -25.707 -9.437 1.00 0.00 O ATOM 1003 OD2 ASP A 75 107.958 -24.968 -9.066 1.00 0.00 O ATOM 0 H ASP A 75 111.753 -25.096 -7.392 1.00 0.00 H new ATOM 0 HA ASP A 75 111.777 -23.979 -9.441 1.00 0.00 H new ATOM 0 HB2 ASP A 75 109.188 -22.893 -8.171 1.00 0.00 H new ATOM 0 HB3 ASP A 75 109.558 -22.800 -9.882 1.00 0.00 H new ATOM 1007 N TRP A 76 112.948 -21.925 -7.922 1.00 0.00 N ATOM 1008 CA TRP A 76 113.594 -20.581 -7.781 1.00 0.00 C ATOM 1009 C TRP A 76 112.597 -19.548 -7.239 1.00 0.00 C ATOM 1010 O TRP A 76 112.743 -18.361 -7.457 1.00 0.00 O ATOM 1011 CB TRP A 76 114.040 -20.200 -9.195 1.00 0.00 C ATOM 1012 CG TRP A 76 115.042 -21.192 -9.689 1.00 0.00 C ATOM 1013 CD1 TRP A 76 114.799 -22.143 -10.620 1.00 0.00 C ATOM 1014 CD2 TRP A 76 116.437 -21.351 -9.296 1.00 0.00 C ATOM 1015 NE1 TRP A 76 115.955 -22.874 -10.826 1.00 0.00 N ATOM 1016 CE2 TRP A 76 116.992 -22.424 -10.032 1.00 0.00 C ATOM 1017 CE3 TRP A 76 117.266 -20.675 -8.383 1.00 0.00 C ATOM 1018 CZ2 TRP A 76 118.322 -22.814 -9.868 1.00 0.00 C ATOM 1019 CZ3 TRP A 76 118.605 -21.064 -8.214 1.00 0.00 C ATOM 1020 CH2 TRP A 76 119.132 -22.131 -8.955 1.00 0.00 C ATOM 0 H TRP A 76 113.461 -22.695 -7.494 1.00 0.00 H new ATOM 0 HA TRP A 76 114.428 -20.607 -7.079 1.00 0.00 H new ATOM 0 HB2 TRP A 76 113.180 -20.173 -9.864 1.00 0.00 H new ATOM 0 HB3 TRP A 76 114.474 -19.200 -9.193 1.00 0.00 H new ATOM 0 HD1 TRP A 76 113.856 -22.305 -11.121 1.00 0.00 H new ATOM 0 HE1 TRP A 76 116.032 -23.650 -11.483 1.00 0.00 H new ATOM 0 HE3 TRP A 76 116.870 -19.851 -7.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 76 118.723 -23.637 -10.442 1.00 0.00 H new ATOM 0 HZ3 TRP A 76 119.232 -20.538 -7.509 1.00 0.00 H new ATOM 0 HH2 TRP A 76 120.162 -22.425 -8.821 1.00 0.00 H new ATOM 1030 N ALA A 77 111.589 -19.990 -6.532 1.00 0.00 N ATOM 1031 CA ALA A 77 110.589 -19.032 -5.974 1.00 0.00 C ATOM 1032 C ALA A 77 111.014 -18.594 -4.572 1.00 0.00 C ATOM 1033 O ALA A 77 111.326 -19.411 -3.728 1.00 0.00 O ATOM 1034 CB ALA A 77 109.277 -19.815 -5.918 1.00 0.00 C ATOM 0 H ALA A 77 111.415 -20.972 -6.317 1.00 0.00 H new ATOM 0 HA ALA A 77 110.496 -18.129 -6.578 1.00 0.00 H new ATOM 0 HB1 ALA A 77 108.489 -19.177 -5.517 1.00 0.00 H new ATOM 0 HB2 ALA A 77 109.004 -20.141 -6.922 1.00 0.00 H new ATOM 0 HB3 ALA A 77 109.401 -20.686 -5.275 1.00 0.00 H new ATOM 1040 N SER A 78 111.033 -17.311 -4.319 1.00 0.00 N ATOM 1041 CA SER A 78 111.445 -16.825 -2.969 1.00 0.00 C ATOM 1042 C SER A 78 110.356 -15.940 -2.359 1.00 0.00 C ATOM 1043 O SER A 78 109.611 -15.284 -3.063 1.00 0.00 O ATOM 1044 CB SER A 78 112.717 -16.013 -3.214 1.00 0.00 C ATOM 1045 OG SER A 78 113.697 -16.845 -3.822 1.00 0.00 O ATOM 0 H SER A 78 110.782 -16.581 -4.986 1.00 0.00 H new ATOM 0 HA SER A 78 111.608 -17.646 -2.271 1.00 0.00 H new ATOM 0 HB2 SER A 78 112.499 -15.160 -3.856 1.00 0.00 H new ATOM 0 HB3 SER A 78 113.095 -15.615 -2.272 1.00 0.00 H new ATOM 0 HG SER A 78 114.513 -16.326 -3.982 1.00 0.00 H new ATOM 1050 N ILE A 79 110.264 -15.906 -1.053 1.00 0.00 N ATOM 1051 CA ILE A 79 109.230 -15.053 -0.398 1.00 0.00 C ATOM 1052 C ILE A 79 109.921 -14.021 0.492 1.00 0.00 C ATOM 1053 O ILE A 79 110.864 -14.330 1.195 1.00 0.00 O ATOM 1054 CB ILE A 79 108.386 -16.014 0.444 1.00 0.00 C ATOM 1055 CG1 ILE A 79 107.779 -17.092 -0.459 1.00 0.00 C ATOM 1056 CG2 ILE A 79 107.263 -15.237 1.133 1.00 0.00 C ATOM 1057 CD1 ILE A 79 107.053 -18.130 0.398 1.00 0.00 C ATOM 0 H ILE A 79 110.860 -16.432 -0.414 1.00 0.00 H new ATOM 0 HA ILE A 79 108.615 -14.511 -1.116 1.00 0.00 H new ATOM 0 HB ILE A 79 109.019 -16.485 1.196 1.00 0.00 H new ATOM 0 HG12 ILE A 79 107.084 -16.639 -1.166 1.00 0.00 H new ATOM 0 HG13 ILE A 79 108.562 -17.573 -1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 79 106.662 -15.921 1.732 1.00 0.00 H new ATOM 0 HG22 ILE A 79 107.693 -14.471 1.778 1.00 0.00 H new ATOM 0 HG23 ILE A 79 106.632 -14.765 0.380 1.00 0.00 H new ATOM 0 HD11 ILE A 79 106.622 -18.896 -0.246 1.00 0.00 H new ATOM 0 HD12 ILE A 79 107.760 -18.591 1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 79 106.259 -17.643 0.964 1.00 0.00 H new ATOM 1068 N TYR A 80 109.473 -12.795 0.457 1.00 0.00 N ATOM 1069 CA TYR A 80 110.122 -11.745 1.294 1.00 0.00 C ATOM 1070 C TYR A 80 109.086 -10.974 2.113 1.00 0.00 C ATOM 1071 O TYR A 80 107.964 -10.773 1.690 1.00 0.00 O ATOM 1072 CB TYR A 80 110.811 -10.810 0.296 1.00 0.00 C ATOM 1073 CG TYR A 80 111.829 -11.582 -0.510 1.00 0.00 C ATOM 1074 CD1 TYR A 80 112.846 -12.291 0.141 1.00 0.00 C ATOM 1075 CD2 TYR A 80 111.753 -11.590 -1.908 1.00 0.00 C ATOM 1076 CE1 TYR A 80 113.789 -13.007 -0.607 1.00 0.00 C ATOM 1077 CE2 TYR A 80 112.696 -12.306 -2.655 1.00 0.00 C ATOM 1078 CZ TYR A 80 113.714 -13.014 -2.005 1.00 0.00 C ATOM 1079 OH TYR A 80 114.643 -13.720 -2.741 1.00 0.00 O ATOM 0 H TYR A 80 108.689 -12.476 -0.112 1.00 0.00 H new ATOM 0 HA TYR A 80 110.821 -12.178 2.009 1.00 0.00 H new ATOM 0 HB2 TYR A 80 110.071 -10.363 -0.368 1.00 0.00 H new ATOM 0 HB3 TYR A 80 111.298 -9.992 0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 80 112.903 -12.286 1.219 1.00 0.00 H new ATOM 0 HD2 TYR A 80 110.968 -11.044 -2.410 1.00 0.00 H new ATOM 0 HE1 TYR A 80 114.574 -13.554 -0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 80 112.638 -12.312 -3.733 1.00 0.00 H new ATOM 0 HH TYR A 80 114.447 -13.621 -3.696 1.00 0.00 H new ATOM 1088 N GLY A 81 109.473 -10.518 3.273 1.00 0.00 N ATOM 1089 CA GLY A 81 108.545 -9.727 4.128 1.00 0.00 C ATOM 1090 C GLY A 81 109.234 -8.406 4.456 1.00 0.00 C ATOM 1091 O GLY A 81 110.441 -8.300 4.350 1.00 0.00 O ATOM 0 H GLY A 81 110.402 -10.662 3.668 1.00 0.00 H new ATOM 0 HA2 GLY A 81 107.603 -9.549 3.609 1.00 0.00 H new ATOM 0 HA3 GLY A 81 108.307 -10.272 5.041 1.00 0.00 H new ATOM 1094 N VAL A 82 108.501 -7.392 4.832 1.00 0.00 N ATOM 1095 CA VAL A 82 109.169 -6.094 5.138 1.00 0.00 C ATOM 1096 C VAL A 82 108.500 -5.361 6.302 1.00 0.00 C ATOM 1097 O VAL A 82 107.297 -5.225 6.366 1.00 0.00 O ATOM 1098 CB VAL A 82 109.056 -5.273 3.849 1.00 0.00 C ATOM 1099 CG1 VAL A 82 109.839 -5.970 2.735 1.00 0.00 C ATOM 1100 CG2 VAL A 82 107.583 -5.139 3.435 1.00 0.00 C ATOM 0 H VAL A 82 107.487 -7.404 4.939 1.00 0.00 H new ATOM 0 HA VAL A 82 110.203 -6.250 5.446 1.00 0.00 H new ATOM 0 HB VAL A 82 109.467 -4.278 4.021 1.00 0.00 H new ATOM 0 HG11 VAL A 82 109.761 -5.388 1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 82 110.887 -6.053 3.024 1.00 0.00 H new ATOM 0 HG13 VAL A 82 109.428 -6.966 2.570 1.00 0.00 H new ATOM 0 HG21 VAL A 82 107.515 -4.554 2.518 1.00 0.00 H new ATOM 0 HG22 VAL A 82 107.161 -6.130 3.266 1.00 0.00 H new ATOM 0 HG23 VAL A 82 107.026 -4.638 4.227 1.00 0.00 H new ATOM 1110 N VAL A 83 109.299 -4.861 7.200 1.00 0.00 N ATOM 1111 CA VAL A 83 108.780 -4.083 8.362 1.00 0.00 C ATOM 1112 C VAL A 83 109.664 -2.845 8.494 1.00 0.00 C ATOM 1113 O VAL A 83 110.845 -2.931 8.244 1.00 0.00 O ATOM 1114 CB VAL A 83 108.935 -5.000 9.577 1.00 0.00 C ATOM 1115 CG1 VAL A 83 108.391 -4.295 10.820 1.00 0.00 C ATOM 1116 CG2 VAL A 83 108.148 -6.294 9.344 1.00 0.00 C ATOM 0 H VAL A 83 110.314 -4.960 7.178 1.00 0.00 H new ATOM 0 HA VAL A 83 107.741 -3.770 8.259 1.00 0.00 H new ATOM 0 HB VAL A 83 109.990 -5.235 9.722 1.00 0.00 H new ATOM 0 HG11 VAL A 83 108.501 -4.948 11.686 1.00 0.00 H new ATOM 0 HG12 VAL A 83 108.947 -3.373 10.988 1.00 0.00 H new ATOM 0 HG13 VAL A 83 107.336 -4.061 10.674 1.00 0.00 H new ATOM 0 HG21 VAL A 83 108.258 -6.948 10.209 1.00 0.00 H new ATOM 0 HG22 VAL A 83 107.094 -6.058 9.200 1.00 0.00 H new ATOM 0 HG23 VAL A 83 108.532 -6.798 8.457 1.00 0.00 H new ATOM 1126 N GLY A 84 109.143 -1.705 8.879 1.00 0.00 N ATOM 1127 CA GLY A 84 110.031 -0.530 8.988 1.00 0.00 C ATOM 1128 C GLY A 84 109.264 0.711 9.416 1.00 0.00 C ATOM 1129 O GLY A 84 108.082 0.684 9.694 1.00 0.00 O ATOM 0 H GLY A 84 108.163 -1.548 9.115 1.00 0.00 H new ATOM 0 HA2 GLY A 84 110.822 -0.736 9.709 1.00 0.00 H new ATOM 0 HA3 GLY A 84 110.514 -0.347 8.028 1.00 0.00 H new ATOM 1132 N VAL A 85 109.968 1.797 9.472 1.00 0.00 N ATOM 1133 CA VAL A 85 109.363 3.093 9.886 1.00 0.00 C ATOM 1134 C VAL A 85 109.536 4.146 8.783 1.00 0.00 C ATOM 1135 O VAL A 85 110.536 4.190 8.095 1.00 0.00 O ATOM 1136 CB VAL A 85 110.123 3.506 11.150 1.00 0.00 C ATOM 1137 CG1 VAL A 85 109.537 4.810 11.693 1.00 0.00 C ATOM 1138 CG2 VAL A 85 109.985 2.412 12.213 1.00 0.00 C ATOM 0 H VAL A 85 110.961 1.847 9.244 1.00 0.00 H new ATOM 0 HA VAL A 85 108.292 3.003 10.067 1.00 0.00 H new ATOM 0 HB VAL A 85 111.176 3.649 10.907 1.00 0.00 H new ATOM 0 HG11 VAL A 85 110.077 5.105 12.593 1.00 0.00 H new ATOM 0 HG12 VAL A 85 109.631 5.593 10.940 1.00 0.00 H new ATOM 0 HG13 VAL A 85 108.484 4.663 11.934 1.00 0.00 H new ATOM 0 HG21 VAL A 85 110.526 2.708 13.112 1.00 0.00 H new ATOM 0 HG22 VAL A 85 108.932 2.270 12.454 1.00 0.00 H new ATOM 0 HG23 VAL A 85 110.399 1.479 11.831 1.00 0.00 H new ATOM 1148 N GLY A 86 108.554 4.990 8.631 1.00 0.00 N ATOM 1149 CA GLY A 86 108.621 6.061 7.589 1.00 0.00 C ATOM 1150 C GLY A 86 109.046 7.379 8.241 1.00 0.00 C ATOM 1151 O GLY A 86 108.557 7.735 9.291 1.00 0.00 O ATOM 0 H GLY A 86 107.699 4.986 9.187 1.00 0.00 H new ATOM 0 HA2 GLY A 86 109.331 5.782 6.810 1.00 0.00 H new ATOM 0 HA3 GLY A 86 107.650 6.177 7.108 1.00 0.00 H new ATOM 1154 N TYR A 87 109.951 8.112 7.631 1.00 0.00 N ATOM 1155 CA TYR A 87 110.384 9.406 8.236 1.00 0.00 C ATOM 1156 C TYR A 87 110.270 10.533 7.209 1.00 0.00 C ATOM 1157 O TYR A 87 110.717 10.405 6.088 1.00 0.00 O ATOM 1158 CB TYR A 87 111.843 9.194 8.639 1.00 0.00 C ATOM 1159 CG TYR A 87 111.920 8.206 9.779 1.00 0.00 C ATOM 1160 CD1 TYR A 87 111.654 8.628 11.087 1.00 0.00 C ATOM 1161 CD2 TYR A 87 112.262 6.872 9.529 1.00 0.00 C ATOM 1162 CE1 TYR A 87 111.728 7.714 12.145 1.00 0.00 C ATOM 1163 CE2 TYR A 87 112.336 5.958 10.587 1.00 0.00 C ATOM 1164 CZ TYR A 87 112.070 6.380 11.895 1.00 0.00 C ATOM 1165 OH TYR A 87 112.144 5.480 12.939 1.00 0.00 O ATOM 0 H TYR A 87 110.402 7.870 6.749 1.00 0.00 H new ATOM 0 HA TYR A 87 109.766 9.687 9.088 1.00 0.00 H new ATOM 0 HB2 TYR A 87 112.415 8.826 7.787 1.00 0.00 H new ATOM 0 HB3 TYR A 87 112.289 10.143 8.937 1.00 0.00 H new ATOM 0 HD1 TYR A 87 111.392 9.658 11.280 1.00 0.00 H new ATOM 0 HD2 TYR A 87 112.469 6.548 8.520 1.00 0.00 H new ATOM 0 HE1 TYR A 87 111.521 8.038 13.154 1.00 0.00 H new ATOM 0 HE2 TYR A 87 112.598 4.928 10.394 1.00 0.00 H new ATOM 0 HH TYR A 87 112.392 4.597 12.593 1.00 0.00 H new ATOM 1174 N GLY A 88 109.680 11.636 7.586 1.00 0.00 N ATOM 1175 CA GLY A 88 109.541 12.775 6.633 1.00 0.00 C ATOM 1176 C GLY A 88 110.172 14.024 7.246 1.00 0.00 C ATOM 1177 O GLY A 88 109.864 14.399 8.363 1.00 0.00 O ATOM 0 H GLY A 88 109.288 11.797 8.514 1.00 0.00 H new ATOM 0 HA2 GLY A 88 110.027 12.535 5.687 1.00 0.00 H new ATOM 0 HA3 GLY A 88 108.488 12.955 6.414 1.00 0.00 H new ATOM 1180 N LYS A 89 111.053 14.674 6.526 1.00 0.00 N ATOM 1181 CA LYS A 89 111.704 15.901 7.072 1.00 0.00 C ATOM 1182 C LYS A 89 111.692 17.024 6.029 1.00 0.00 C ATOM 1183 O LYS A 89 111.703 16.778 4.838 1.00 0.00 O ATOM 1184 CB LYS A 89 113.136 15.476 7.415 1.00 0.00 C ATOM 1185 CG LYS A 89 113.889 15.080 6.140 1.00 0.00 C ATOM 1186 CD LYS A 89 115.268 14.533 6.515 1.00 0.00 C ATOM 1187 CE LYS A 89 116.134 14.427 5.257 1.00 0.00 C ATOM 1188 NZ LYS A 89 117.054 13.284 5.519 1.00 0.00 N ATOM 0 H LYS A 89 111.348 14.408 5.587 1.00 0.00 H new ATOM 0 HA LYS A 89 111.183 16.291 7.946 1.00 0.00 H new ATOM 0 HB2 LYS A 89 113.656 16.293 7.915 1.00 0.00 H new ATOM 0 HB3 LYS A 89 113.118 14.637 8.111 1.00 0.00 H new ATOM 0 HG2 LYS A 89 113.324 14.328 5.589 1.00 0.00 H new ATOM 0 HG3 LYS A 89 113.994 15.943 5.483 1.00 0.00 H new ATOM 0 HD2 LYS A 89 115.745 15.188 7.244 1.00 0.00 H new ATOM 0 HD3 LYS A 89 115.168 13.554 6.984 1.00 0.00 H new ATOM 0 HE2 LYS A 89 115.524 14.248 4.372 1.00 0.00 H new ATOM 0 HE3 LYS A 89 116.689 15.348 5.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 117.205 12.751 4.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 117.965 13.645 5.867 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 116.634 12.657 6.235 1.00 0.00 H new ATOM 1198 N PHE A 90 111.664 18.252 6.475 1.00 0.00 N ATOM 1199 CA PHE A 90 111.646 19.404 5.525 1.00 0.00 C ATOM 1200 C PHE A 90 112.408 20.594 6.121 1.00 0.00 C ATOM 1201 O PHE A 90 112.926 20.523 7.217 1.00 0.00 O ATOM 1202 CB PHE A 90 110.164 19.739 5.331 1.00 0.00 C ATOM 1203 CG PHE A 90 109.546 20.131 6.654 1.00 0.00 C ATOM 1204 CD1 PHE A 90 109.059 19.144 7.519 1.00 0.00 C ATOM 1205 CD2 PHE A 90 109.457 21.481 7.012 1.00 0.00 C ATOM 1206 CE1 PHE A 90 108.487 19.506 8.742 1.00 0.00 C ATOM 1207 CE2 PHE A 90 108.884 21.844 8.237 1.00 0.00 C ATOM 1208 CZ PHE A 90 108.399 20.857 9.102 1.00 0.00 C ATOM 0 H PHE A 90 111.653 18.508 7.462 1.00 0.00 H new ATOM 0 HA PHE A 90 112.130 19.168 4.577 1.00 0.00 H new ATOM 0 HB2 PHE A 90 110.057 20.554 4.615 1.00 0.00 H new ATOM 0 HB3 PHE A 90 109.639 18.879 4.916 1.00 0.00 H new ATOM 0 HD1 PHE A 90 109.125 18.102 7.241 1.00 0.00 H new ATOM 0 HD2 PHE A 90 109.830 22.243 6.344 1.00 0.00 H new ATOM 0 HE1 PHE A 90 108.113 18.744 9.410 1.00 0.00 H new ATOM 0 HE2 PHE A 90 108.816 22.886 8.514 1.00 0.00 H new ATOM 0 HZ PHE A 90 107.957 21.137 10.047 1.00 0.00 H new ATOM 1217 N GLN A 91 112.464 21.692 5.406 1.00 0.00 N ATOM 1218 CA GLN A 91 113.179 22.907 5.921 1.00 0.00 C ATOM 1219 C GLN A 91 114.628 22.570 6.301 1.00 0.00 C ATOM 1220 O GLN A 91 115.020 21.420 6.341 1.00 0.00 O ATOM 1221 CB GLN A 91 112.374 23.343 7.153 1.00 0.00 C ATOM 1222 CG GLN A 91 112.897 24.682 7.675 1.00 0.00 C ATOM 1223 CD GLN A 91 111.999 25.171 8.813 1.00 0.00 C ATOM 1224 OE1 GLN A 91 110.960 25.753 8.575 1.00 0.00 O ATOM 1225 NE2 GLN A 91 112.358 24.958 10.050 1.00 0.00 N ATOM 0 H GLN A 91 112.044 21.801 4.483 1.00 0.00 H new ATOM 0 HA GLN A 91 113.240 23.696 5.172 1.00 0.00 H new ATOM 0 HB2 GLN A 91 111.319 23.431 6.895 1.00 0.00 H new ATOM 0 HB3 GLN A 91 112.449 22.585 7.933 1.00 0.00 H new ATOM 0 HG2 GLN A 91 113.922 24.571 8.028 1.00 0.00 H new ATOM 0 HG3 GLN A 91 112.915 25.417 6.870 1.00 0.00 H new ATOM 0 HE21 GLN A 91 113.230 24.469 10.251 1.00 0.00 H new ATOM 0 HE22 GLN A 91 111.766 25.280 10.816 1.00 0.00 H new ATOM 1232 N THR A 92 115.427 23.570 6.572 1.00 0.00 N ATOM 1233 CA THR A 92 116.851 23.321 6.943 1.00 0.00 C ATOM 1234 C THR A 92 117.197 24.044 8.252 1.00 0.00 C ATOM 1235 O THR A 92 116.428 24.844 8.750 1.00 0.00 O ATOM 1236 CB THR A 92 117.670 23.876 5.769 1.00 0.00 C ATOM 1237 OG1 THR A 92 119.038 23.540 5.951 1.00 0.00 O ATOM 1238 CG2 THR A 92 117.519 25.400 5.685 1.00 0.00 C ATOM 0 H THR A 92 115.152 24.552 6.552 1.00 0.00 H new ATOM 0 HA THR A 92 117.057 22.264 7.113 1.00 0.00 H new ATOM 0 HB THR A 92 117.303 23.438 4.841 1.00 0.00 H new ATOM 0 HG1 THR A 92 119.564 23.891 5.202 1.00 0.00 H new ATOM 0 HG21 THR A 92 118.106 25.778 4.848 1.00 0.00 H new ATOM 0 HG22 THR A 92 116.469 25.654 5.537 1.00 0.00 H new ATOM 0 HG23 THR A 92 117.875 25.852 6.611 1.00 0.00 H new ATOM 1246 N THR A 93 118.347 23.762 8.813 1.00 0.00 N ATOM 1247 CA THR A 93 118.753 24.421 10.097 1.00 0.00 C ATOM 1248 C THR A 93 117.699 24.164 11.180 1.00 0.00 C ATOM 1249 O THR A 93 116.700 23.513 10.940 1.00 0.00 O ATOM 1250 CB THR A 93 118.848 25.920 9.778 1.00 0.00 C ATOM 1251 OG1 THR A 93 119.386 26.093 8.474 1.00 0.00 O ATOM 1252 CG2 THR A 93 119.754 26.608 10.799 1.00 0.00 C ATOM 0 H THR A 93 119.026 23.101 8.436 1.00 0.00 H new ATOM 0 HA THR A 93 119.699 24.032 10.474 1.00 0.00 H new ATOM 0 HB THR A 93 117.853 26.363 9.824 1.00 0.00 H new ATOM 0 HG1 THR A 93 119.445 27.049 8.269 1.00 0.00 H new ATOM 0 HG21 THR A 93 119.819 27.672 10.569 1.00 0.00 H new ATOM 0 HG22 THR A 93 119.340 26.477 11.799 1.00 0.00 H new ATOM 0 HG23 THR A 93 120.750 26.166 10.758 1.00 0.00 H new ATOM 1260 N GLU A 94 117.917 24.663 12.374 1.00 0.00 N ATOM 1261 CA GLU A 94 116.933 24.445 13.483 1.00 0.00 C ATOM 1262 C GLU A 94 116.634 22.951 13.646 1.00 0.00 C ATOM 1263 O GLU A 94 115.491 22.541 13.710 1.00 0.00 O ATOM 1264 CB GLU A 94 115.671 25.203 13.063 1.00 0.00 C ATOM 1265 CG GLU A 94 115.991 26.696 12.930 1.00 0.00 C ATOM 1266 CD GLU A 94 114.717 27.476 12.581 1.00 0.00 C ATOM 1267 OE1 GLU A 94 113.721 26.846 12.260 1.00 0.00 O ATOM 1268 OE2 GLU A 94 114.761 28.694 12.637 1.00 0.00 O ATOM 0 H GLU A 94 118.737 25.214 12.629 1.00 0.00 H new ATOM 0 HA GLU A 94 117.316 24.798 14.441 1.00 0.00 H new ATOM 0 HB2 GLU A 94 115.299 24.814 12.115 1.00 0.00 H new ATOM 0 HB3 GLU A 94 114.882 25.054 13.800 1.00 0.00 H new ATOM 0 HG2 GLU A 94 116.413 27.071 13.863 1.00 0.00 H new ATOM 0 HG3 GLU A 94 116.744 26.848 12.156 1.00 0.00 H new ATOM 1273 N TYR A 95 117.655 22.138 13.708 1.00 0.00 N ATOM 1274 CA TYR A 95 117.438 20.668 13.861 1.00 0.00 C ATOM 1275 C TYR A 95 116.800 20.360 15.227 1.00 0.00 C ATOM 1276 O TYR A 95 117.318 20.768 16.247 1.00 0.00 O ATOM 1277 CB TYR A 95 118.835 20.051 13.776 1.00 0.00 C ATOM 1278 CG TYR A 95 118.717 18.566 13.531 1.00 0.00 C ATOM 1279 CD1 TYR A 95 118.540 18.083 12.230 1.00 0.00 C ATOM 1280 CD2 TYR A 95 118.785 17.672 14.606 1.00 0.00 C ATOM 1281 CE1 TYR A 95 118.431 16.705 12.002 1.00 0.00 C ATOM 1282 CE2 TYR A 95 118.676 16.295 14.380 1.00 0.00 C ATOM 1283 CZ TYR A 95 118.499 15.812 13.078 1.00 0.00 C ATOM 1284 OH TYR A 95 118.392 14.454 12.855 1.00 0.00 O ATOM 0 H TYR A 95 118.632 22.428 13.659 1.00 0.00 H new ATOM 0 HA TYR A 95 116.766 20.271 13.100 1.00 0.00 H new ATOM 0 HB2 TYR A 95 119.402 20.519 12.971 1.00 0.00 H new ATOM 0 HB3 TYR A 95 119.382 20.235 14.701 1.00 0.00 H new ATOM 0 HD1 TYR A 95 118.487 18.773 11.401 1.00 0.00 H new ATOM 0 HD2 TYR A 95 118.922 18.045 15.610 1.00 0.00 H new ATOM 0 HE1 TYR A 95 118.295 16.332 10.998 1.00 0.00 H new ATOM 0 HE2 TYR A 95 118.728 15.605 15.210 1.00 0.00 H new ATOM 0 HH TYR A 95 118.461 13.976 13.708 1.00 0.00 H new ATOM 1293 N PRO A 96 115.697 19.645 15.208 1.00 0.00 N ATOM 1294 CA PRO A 96 115.006 19.290 16.475 1.00 0.00 C ATOM 1295 C PRO A 96 115.797 18.220 17.237 1.00 0.00 C ATOM 1296 O PRO A 96 116.668 17.572 16.688 1.00 0.00 O ATOM 1297 CB PRO A 96 113.659 18.741 16.012 1.00 0.00 C ATOM 1298 CG PRO A 96 113.898 18.252 14.619 1.00 0.00 C ATOM 1299 CD PRO A 96 114.993 19.105 14.033 1.00 0.00 C ATOM 0 HA PRO A 96 114.904 20.135 17.155 1.00 0.00 H new ATOM 0 HB2 PRO A 96 113.318 17.934 16.660 1.00 0.00 H new ATOM 0 HB3 PRO A 96 112.890 19.513 16.033 1.00 0.00 H new ATOM 0 HG2 PRO A 96 114.189 17.201 14.624 1.00 0.00 H new ATOM 0 HG3 PRO A 96 112.989 18.328 14.022 1.00 0.00 H new ATOM 0 HD2 PRO A 96 115.661 18.518 13.403 1.00 0.00 H new ATOM 0 HD3 PRO A 96 114.587 19.902 13.411 1.00 0.00 H new ATOM 1304 N THR A 97 115.496 18.029 18.496 1.00 0.00 N ATOM 1305 CA THR A 97 116.224 16.996 19.298 1.00 0.00 C ATOM 1306 C THR A 97 116.085 15.619 18.640 1.00 0.00 C ATOM 1307 O THR A 97 115.584 15.500 17.539 1.00 0.00 O ATOM 1308 CB THR A 97 115.553 17.005 20.677 1.00 0.00 C ATOM 1309 OG1 THR A 97 116.161 16.019 21.502 1.00 0.00 O ATOM 1310 CG2 THR A 97 114.060 16.700 20.533 1.00 0.00 C ATOM 0 H THR A 97 114.777 18.543 19.005 1.00 0.00 H new ATOM 0 HA THR A 97 117.291 17.209 19.367 1.00 0.00 H new ATOM 0 HB THR A 97 115.674 17.989 21.130 1.00 0.00 H new ATOM 0 HG1 THR A 97 115.735 16.023 22.385 1.00 0.00 H new ATOM 0 HG21 THR A 97 113.590 16.708 21.517 1.00 0.00 H new ATOM 0 HG22 THR A 97 113.593 17.456 19.902 1.00 0.00 H new ATOM 0 HG23 THR A 97 113.932 15.718 20.078 1.00 0.00 H new ATOM 1318 N TYR A 98 116.530 14.579 19.301 1.00 0.00 N ATOM 1319 CA TYR A 98 116.425 13.209 18.704 1.00 0.00 C ATOM 1320 C TYR A 98 114.970 12.893 18.342 1.00 0.00 C ATOM 1321 O TYR A 98 114.689 12.357 17.288 1.00 0.00 O ATOM 1322 CB TYR A 98 116.925 12.259 19.793 1.00 0.00 C ATOM 1323 CG TYR A 98 116.957 10.849 19.255 1.00 0.00 C ATOM 1324 CD1 TYR A 98 118.069 10.399 18.534 1.00 0.00 C ATOM 1325 CD2 TYR A 98 115.873 9.990 19.478 1.00 0.00 C ATOM 1326 CE1 TYR A 98 118.098 9.091 18.035 1.00 0.00 C ATOM 1327 CE2 TYR A 98 115.902 8.682 18.980 1.00 0.00 C ATOM 1328 CZ TYR A 98 117.015 8.232 18.259 1.00 0.00 C ATOM 1329 OH TYR A 98 117.045 6.943 17.768 1.00 0.00 O ATOM 0 H TYR A 98 116.960 14.618 20.225 1.00 0.00 H new ATOM 0 HA TYR A 98 117.005 13.118 17.786 1.00 0.00 H new ATOM 0 HB2 TYR A 98 117.921 12.557 20.121 1.00 0.00 H new ATOM 0 HB3 TYR A 98 116.273 12.312 20.665 1.00 0.00 H new ATOM 0 HD1 TYR A 98 118.905 11.061 18.362 1.00 0.00 H new ATOM 0 HD2 TYR A 98 115.015 10.337 20.034 1.00 0.00 H new ATOM 0 HE1 TYR A 98 118.956 8.745 17.477 1.00 0.00 H new ATOM 0 HE2 TYR A 98 115.066 8.020 19.152 1.00 0.00 H new ATOM 0 HH TYR A 98 116.216 6.480 18.013 1.00 0.00 H new ATOM 1338 N LYS A 99 114.045 13.210 19.212 1.00 0.00 N ATOM 1339 CA LYS A 99 112.605 12.918 18.925 1.00 0.00 C ATOM 1340 C LYS A 99 112.191 13.505 17.571 1.00 0.00 C ATOM 1341 O LYS A 99 111.363 12.952 16.874 1.00 0.00 O ATOM 1342 CB LYS A 99 111.830 13.595 20.057 1.00 0.00 C ATOM 1343 CG LYS A 99 110.341 13.272 19.918 1.00 0.00 C ATOM 1344 CD LYS A 99 110.092 11.820 20.332 1.00 0.00 C ATOM 1345 CE LYS A 99 108.592 11.523 20.273 1.00 0.00 C ATOM 1346 NZ LYS A 99 108.379 10.885 18.943 1.00 0.00 N ATOM 0 H LYS A 99 114.224 13.659 20.110 1.00 0.00 H new ATOM 0 HA LYS A 99 112.411 11.847 18.874 1.00 0.00 H new ATOM 0 HB2 LYS A 99 112.200 13.250 21.023 1.00 0.00 H new ATOM 0 HB3 LYS A 99 111.984 14.674 20.024 1.00 0.00 H new ATOM 0 HG2 LYS A 99 109.752 13.945 20.542 1.00 0.00 H new ATOM 0 HG3 LYS A 99 110.019 13.428 18.888 1.00 0.00 H new ATOM 0 HD2 LYS A 99 110.634 11.144 19.670 1.00 0.00 H new ATOM 0 HD3 LYS A 99 110.468 11.649 21.341 1.00 0.00 H new ATOM 0 HE2 LYS A 99 108.289 10.859 21.083 1.00 0.00 H new ATOM 0 HE3 LYS A 99 108.004 12.436 20.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 107.372 10.651 18.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 108.670 11.543 18.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 108.946 10.015 18.880 1.00 0.00 H new ATOM 1356 N ASN A 100 112.765 14.622 17.194 1.00 0.00 N ATOM 1357 CA ASN A 100 112.415 15.253 15.881 1.00 0.00 C ATOM 1358 C ASN A 100 110.906 15.503 15.781 1.00 0.00 C ATOM 1359 O ASN A 100 110.263 15.090 14.837 1.00 0.00 O ATOM 1360 CB ASN A 100 112.871 14.260 14.805 1.00 0.00 C ATOM 1361 CG ASN A 100 114.378 14.030 14.922 1.00 0.00 C ATOM 1362 OD1 ASN A 100 115.127 14.954 15.167 1.00 0.00 O ATOM 1363 ND2 ASN A 100 114.858 12.828 14.753 1.00 0.00 N ATOM 0 H ASN A 100 113.463 15.126 17.741 1.00 0.00 H new ATOM 0 HA ASN A 100 112.900 16.222 15.764 1.00 0.00 H new ATOM 0 HB2 ASN A 100 112.339 13.315 14.919 1.00 0.00 H new ATOM 0 HB3 ASN A 100 112.628 14.645 13.815 1.00 0.00 H new ATOM 0 HD21 ASN A 100 115.862 12.665 14.827 1.00 0.00 H new ATOM 0 HD22 ASN A 100 114.229 12.052 14.547 1.00 0.00 H new ATOM 1369 N ASP A 101 110.335 16.180 16.746 1.00 0.00 N ATOM 1370 CA ASP A 101 108.864 16.459 16.700 1.00 0.00 C ATOM 1371 C ASP A 101 108.494 17.118 15.366 1.00 0.00 C ATOM 1372 O ASP A 101 107.443 16.866 14.808 1.00 0.00 O ATOM 1373 CB ASP A 101 108.601 17.421 17.862 1.00 0.00 C ATOM 1374 CG ASP A 101 108.836 16.707 19.199 1.00 0.00 C ATOM 1375 OD1 ASP A 101 108.872 15.486 19.205 1.00 0.00 O ATOM 1376 OD2 ASP A 101 108.974 17.396 20.197 1.00 0.00 O ATOM 0 H ASP A 101 110.821 16.551 17.562 1.00 0.00 H new ATOM 0 HA ASP A 101 108.270 15.549 16.784 1.00 0.00 H new ATOM 0 HB2 ASP A 101 109.258 18.288 17.783 1.00 0.00 H new ATOM 0 HB3 ASP A 101 107.577 17.791 17.813 1.00 0.00 H new ATOM 1380 N THR A 102 109.359 17.953 14.851 1.00 0.00 N ATOM 1381 CA THR A 102 109.078 18.629 13.547 1.00 0.00 C ATOM 1382 C THR A 102 108.876 17.588 12.440 1.00 0.00 C ATOM 1383 O THR A 102 108.218 17.844 11.449 1.00 0.00 O ATOM 1384 CB THR A 102 110.317 19.479 13.261 1.00 0.00 C ATOM 1385 OG1 THR A 102 110.560 20.344 14.362 1.00 0.00 O ATOM 1386 CG2 THR A 102 110.088 20.311 11.998 1.00 0.00 C ATOM 0 H THR A 102 110.252 18.197 15.279 1.00 0.00 H new ATOM 0 HA THR A 102 108.171 19.232 13.586 1.00 0.00 H new ATOM 0 HB THR A 102 111.178 18.827 13.112 1.00 0.00 H new ATOM 0 HG1 THR A 102 111.355 20.888 14.181 1.00 0.00 H new ATOM 0 HG21 THR A 102 110.972 20.916 11.796 1.00 0.00 H new ATOM 0 HG22 THR A 102 109.902 19.647 11.154 1.00 0.00 H new ATOM 0 HG23 THR A 102 109.227 20.964 12.143 1.00 0.00 H new ATOM 1394 N SER A 103 109.430 16.414 12.607 1.00 0.00 N ATOM 1395 CA SER A 103 109.264 15.352 11.571 1.00 0.00 C ATOM 1396 C SER A 103 108.052 14.476 11.905 1.00 0.00 C ATOM 1397 O SER A 103 107.544 14.503 13.010 1.00 0.00 O ATOM 1398 CB SER A 103 110.553 14.530 11.625 1.00 0.00 C ATOM 1399 OG SER A 103 110.525 13.683 12.766 1.00 0.00 O ATOM 0 H SER A 103 109.990 16.146 13.416 1.00 0.00 H new ATOM 0 HA SER A 103 109.093 15.769 10.578 1.00 0.00 H new ATOM 0 HB2 SER A 103 110.655 13.934 10.718 1.00 0.00 H new ATOM 0 HB3 SER A 103 111.418 15.192 11.671 1.00 0.00 H new ATOM 0 HG SER A 103 110.087 14.149 13.509 1.00 0.00 H new ATOM 1404 N ASP A 104 107.591 13.700 10.961 1.00 0.00 N ATOM 1405 CA ASP A 104 106.415 12.816 11.221 1.00 0.00 C ATOM 1406 C ASP A 104 106.710 11.408 10.698 1.00 0.00 C ATOM 1407 O ASP A 104 107.241 11.244 9.616 1.00 0.00 O ATOM 1408 CB ASP A 104 105.262 13.454 10.441 1.00 0.00 C ATOM 1409 CG ASP A 104 103.936 12.776 10.808 1.00 0.00 C ATOM 1410 OD1 ASP A 104 103.938 11.941 11.700 1.00 0.00 O ATOM 1411 OD2 ASP A 104 102.938 13.108 10.191 1.00 0.00 O ATOM 0 H ASP A 104 107.978 13.639 10.019 1.00 0.00 H new ATOM 0 HA ASP A 104 106.180 12.724 12.281 1.00 0.00 H new ATOM 0 HB2 ASP A 104 105.208 14.520 10.664 1.00 0.00 H new ATOM 0 HB3 ASP A 104 105.442 13.361 9.370 1.00 0.00 H new ATOM 1415 N TYR A 105 106.399 10.388 11.461 1.00 0.00 N ATOM 1416 CA TYR A 105 106.697 9.000 10.998 1.00 0.00 C ATOM 1417 C TYR A 105 105.514 8.051 11.237 1.00 0.00 C ATOM 1418 O TYR A 105 104.557 8.383 11.910 1.00 0.00 O ATOM 1419 CB TYR A 105 107.918 8.573 11.822 1.00 0.00 C ATOM 1420 CG TYR A 105 107.544 8.467 13.286 1.00 0.00 C ATOM 1421 CD1 TYR A 105 107.552 9.610 14.094 1.00 0.00 C ATOM 1422 CD2 TYR A 105 107.191 7.227 13.831 1.00 0.00 C ATOM 1423 CE1 TYR A 105 107.207 9.513 15.447 1.00 0.00 C ATOM 1424 CE2 TYR A 105 106.846 7.130 15.185 1.00 0.00 C ATOM 1425 CZ TYR A 105 106.854 8.273 15.993 1.00 0.00 C ATOM 1426 OH TYR A 105 106.514 8.178 17.328 1.00 0.00 O ATOM 0 H TYR A 105 105.955 10.457 12.377 1.00 0.00 H new ATOM 0 HA TYR A 105 106.883 8.965 9.925 1.00 0.00 H new ATOM 0 HB2 TYR A 105 108.292 7.614 11.463 1.00 0.00 H new ATOM 0 HB3 TYR A 105 108.723 9.296 11.695 1.00 0.00 H new ATOM 0 HD1 TYR A 105 107.824 10.567 13.673 1.00 0.00 H new ATOM 0 HD2 TYR A 105 107.185 6.345 13.208 1.00 0.00 H new ATOM 0 HE1 TYR A 105 107.213 10.395 16.070 1.00 0.00 H new ATOM 0 HE2 TYR A 105 106.574 6.173 15.606 1.00 0.00 H new ATOM 0 HH TYR A 105 106.295 7.248 17.544 1.00 0.00 H new ATOM 1435 N GLY A 106 105.592 6.864 10.691 1.00 0.00 N ATOM 1436 CA GLY A 106 104.499 5.863 10.873 1.00 0.00 C ATOM 1437 C GLY A 106 105.090 4.459 10.721 1.00 0.00 C ATOM 1438 O GLY A 106 106.269 4.305 10.471 1.00 0.00 O ATOM 0 H GLY A 106 106.375 6.543 10.121 1.00 0.00 H new ATOM 0 HA2 GLY A 106 104.042 5.976 11.856 1.00 0.00 H new ATOM 0 HA3 GLY A 106 103.712 6.024 10.136 1.00 0.00 H new ATOM 1441 N PHE A 107 104.293 3.432 10.886 1.00 0.00 N ATOM 1442 CA PHE A 107 104.833 2.040 10.767 1.00 0.00 C ATOM 1443 C PHE A 107 104.531 1.454 9.384 1.00 0.00 C ATOM 1444 O PHE A 107 103.473 1.677 8.826 1.00 0.00 O ATOM 1445 CB PHE A 107 104.106 1.246 11.853 1.00 0.00 C ATOM 1446 CG PHE A 107 104.667 -0.155 11.919 1.00 0.00 C ATOM 1447 CD1 PHE A 107 105.817 -0.412 12.675 1.00 0.00 C ATOM 1448 CD2 PHE A 107 104.036 -1.196 11.228 1.00 0.00 C ATOM 1449 CE1 PHE A 107 106.337 -1.711 12.738 1.00 0.00 C ATOM 1450 CE2 PHE A 107 104.555 -2.494 11.291 1.00 0.00 C ATOM 1451 CZ PHE A 107 105.706 -2.751 12.047 1.00 0.00 C ATOM 0 H PHE A 107 103.297 3.495 11.097 1.00 0.00 H new ATOM 0 HA PHE A 107 105.916 2.011 10.886 1.00 0.00 H new ATOM 0 HB2 PHE A 107 104.221 1.740 12.818 1.00 0.00 H new ATOM 0 HB3 PHE A 107 103.038 1.211 11.638 1.00 0.00 H new ATOM 0 HD1 PHE A 107 106.303 0.391 13.209 1.00 0.00 H new ATOM 0 HD2 PHE A 107 103.148 -0.997 10.646 1.00 0.00 H new ATOM 0 HE1 PHE A 107 107.225 -1.910 13.320 1.00 0.00 H new ATOM 0 HE2 PHE A 107 104.069 -3.297 10.757 1.00 0.00 H new ATOM 0 HZ PHE A 107 106.107 -3.753 12.096 1.00 0.00 H new ATOM 1460 N SER A 108 105.451 0.704 8.830 1.00 0.00 N ATOM 1461 CA SER A 108 105.218 0.100 7.485 1.00 0.00 C ATOM 1462 C SER A 108 105.329 -1.425 7.565 1.00 0.00 C ATOM 1463 O SER A 108 106.062 -1.961 8.373 1.00 0.00 O ATOM 1464 CB SER A 108 106.322 0.673 6.598 1.00 0.00 C ATOM 1465 OG SER A 108 106.231 2.092 6.593 1.00 0.00 O ATOM 0 H SER A 108 106.353 0.485 9.252 1.00 0.00 H new ATOM 0 HA SER A 108 104.225 0.326 7.096 1.00 0.00 H new ATOM 0 HB2 SER A 108 107.299 0.361 6.967 1.00 0.00 H new ATOM 0 HB3 SER A 108 106.226 0.287 5.583 1.00 0.00 H new ATOM 0 HG SER A 108 106.939 2.463 6.026 1.00 0.00 H new ATOM 1470 N TYR A 109 104.619 -2.126 6.719 1.00 0.00 N ATOM 1471 CA TYR A 109 104.692 -3.617 6.728 1.00 0.00 C ATOM 1472 C TYR A 109 104.237 -4.174 5.372 1.00 0.00 C ATOM 1473 O TYR A 109 103.454 -3.553 4.678 1.00 0.00 O ATOM 1474 CB TYR A 109 103.756 -4.056 7.864 1.00 0.00 C ATOM 1475 CG TYR A 109 102.315 -3.765 7.504 1.00 0.00 C ATOM 1476 CD1 TYR A 109 101.779 -2.493 7.738 1.00 0.00 C ATOM 1477 CD2 TYR A 109 101.518 -4.767 6.937 1.00 0.00 C ATOM 1478 CE1 TYR A 109 100.446 -2.224 7.406 1.00 0.00 C ATOM 1479 CE2 TYR A 109 100.185 -4.498 6.605 1.00 0.00 C ATOM 1480 CZ TYR A 109 99.649 -3.227 6.840 1.00 0.00 C ATOM 1481 OH TYR A 109 98.335 -2.961 6.513 1.00 0.00 O ATOM 0 H TYR A 109 103.990 -1.729 6.021 1.00 0.00 H new ATOM 0 HA TYR A 109 105.704 -3.988 6.887 1.00 0.00 H new ATOM 0 HB2 TYR A 109 103.881 -5.122 8.055 1.00 0.00 H new ATOM 0 HB3 TYR A 109 104.020 -3.534 8.784 1.00 0.00 H new ATOM 0 HD1 TYR A 109 102.394 -1.720 8.174 1.00 0.00 H new ATOM 0 HD2 TYR A 109 101.932 -5.748 6.756 1.00 0.00 H new ATOM 0 HE1 TYR A 109 100.032 -1.243 7.586 1.00 0.00 H new ATOM 0 HE2 TYR A 109 99.571 -5.271 6.168 1.00 0.00 H new ATOM 0 HH TYR A 109 98.272 -2.746 5.559 1.00 0.00 H new ATOM 1490 N GLY A 110 104.711 -5.334 4.985 1.00 0.00 N ATOM 1491 CA GLY A 110 104.286 -5.903 3.671 1.00 0.00 C ATOM 1492 C GLY A 110 105.144 -7.121 3.306 1.00 0.00 C ATOM 1493 O GLY A 110 105.991 -7.550 4.061 1.00 0.00 O ATOM 0 H GLY A 110 105.367 -5.905 5.517 1.00 0.00 H new ATOM 0 HA2 GLY A 110 103.236 -6.192 3.716 1.00 0.00 H new ATOM 0 HA3 GLY A 110 104.374 -5.143 2.894 1.00 0.00 H new ATOM 1496 N ALA A 111 104.918 -7.673 2.143 1.00 0.00 N ATOM 1497 CA ALA A 111 105.703 -8.866 1.691 1.00 0.00 C ATOM 1498 C ALA A 111 105.420 -9.119 0.207 1.00 0.00 C ATOM 1499 O ALA A 111 104.454 -8.609 -0.329 1.00 0.00 O ATOM 1500 CB ALA A 111 105.192 -10.027 2.545 1.00 0.00 C ATOM 0 H ALA A 111 104.216 -7.347 1.478 1.00 0.00 H new ATOM 0 HA ALA A 111 106.779 -8.734 1.803 1.00 0.00 H new ATOM 0 HB1 ALA A 111 105.721 -10.940 2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 111 105.366 -9.808 3.598 1.00 0.00 H new ATOM 0 HB3 ALA A 111 104.124 -10.162 2.374 1.00 0.00 H new ATOM 1506 N GLY A 112 106.233 -9.894 -0.473 1.00 0.00 N ATOM 1507 CA GLY A 112 105.974 -10.154 -1.920 1.00 0.00 C ATOM 1508 C GLY A 112 106.712 -11.430 -2.344 1.00 0.00 C ATOM 1509 O GLY A 112 107.248 -12.146 -1.521 1.00 0.00 O ATOM 0 H GLY A 112 107.059 -10.354 -0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 112 104.904 -10.263 -2.096 1.00 0.00 H new ATOM 0 HA3 GLY A 112 106.311 -9.308 -2.520 1.00 0.00 H new ATOM 1512 N LEU A 113 106.741 -11.721 -3.622 1.00 0.00 N ATOM 1513 CA LEU A 113 107.443 -12.957 -4.096 1.00 0.00 C ATOM 1514 C LEU A 113 108.294 -12.640 -5.330 1.00 0.00 C ATOM 1515 O LEU A 113 108.026 -11.697 -6.048 1.00 0.00 O ATOM 1516 CB LEU A 113 106.325 -13.943 -4.452 1.00 0.00 C ATOM 1517 CG LEU A 113 105.385 -13.316 -5.488 1.00 0.00 C ATOM 1518 CD1 LEU A 113 104.970 -14.374 -6.512 1.00 0.00 C ATOM 1519 CD2 LEU A 113 104.138 -12.775 -4.784 1.00 0.00 C ATOM 0 H LEU A 113 106.311 -11.159 -4.356 1.00 0.00 H new ATOM 0 HA LEU A 113 108.116 -13.364 -3.341 1.00 0.00 H new ATOM 0 HB2 LEU A 113 106.753 -14.864 -4.847 1.00 0.00 H new ATOM 0 HB3 LEU A 113 105.765 -14.211 -3.556 1.00 0.00 H new ATOM 0 HG LEU A 113 105.900 -12.501 -5.996 1.00 0.00 H new ATOM 0 HD11 LEU A 113 104.302 -13.926 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU A 113 105.856 -14.761 -7.015 1.00 0.00 H new ATOM 0 HD13 LEU A 113 104.456 -15.190 -6.004 1.00 0.00 H new ATOM 0 HD21 LEU A 113 103.469 -12.329 -5.520 1.00 0.00 H new ATOM 0 HD22 LEU A 113 103.625 -13.591 -4.275 1.00 0.00 H new ATOM 0 HD23 LEU A 113 104.431 -12.019 -4.055 1.00 0.00 H new ATOM 1530 N GLN A 114 109.317 -13.421 -5.588 1.00 0.00 N ATOM 1531 CA GLN A 114 110.178 -13.159 -6.780 1.00 0.00 C ATOM 1532 C GLN A 114 110.170 -14.373 -7.717 1.00 0.00 C ATOM 1533 O GLN A 114 110.164 -15.508 -7.275 1.00 0.00 O ATOM 1534 CB GLN A 114 111.579 -12.926 -6.215 1.00 0.00 C ATOM 1535 CG GLN A 114 112.523 -12.518 -7.348 1.00 0.00 C ATOM 1536 CD GLN A 114 113.945 -12.379 -6.802 1.00 0.00 C ATOM 1537 OE1 GLN A 114 114.914 -13.050 -7.363 1.00 0.00 O flip ATOM 1538 NE2 GLN A 114 114.178 -11.654 -5.855 1.00 0.00 N flip ATOM 0 H GLN A 114 109.590 -14.226 -5.025 1.00 0.00 H new ATOM 0 HA GLN A 114 109.828 -12.307 -7.362 1.00 0.00 H new ATOM 0 HB2 GLN A 114 111.551 -12.148 -5.452 1.00 0.00 H new ATOM 0 HB3 GLN A 114 111.944 -13.832 -5.732 1.00 0.00 H new ATOM 0 HG2 GLN A 114 112.498 -13.264 -8.143 1.00 0.00 H new ATOM 0 HG3 GLN A 114 112.196 -11.575 -7.786 1.00 0.00 H new ATOM 0 HE21 GLN A 114 113.421 -11.129 -5.416 1.00 0.00 H new ATOM 0 HE22 GLN A 114 115.130 -11.570 -5.499 1.00 0.00 H new ATOM 1545 N PHE A 115 110.179 -14.139 -9.008 1.00 0.00 N ATOM 1546 CA PHE A 115 110.178 -15.272 -9.980 1.00 0.00 C ATOM 1547 C PHE A 115 111.450 -15.220 -10.830 1.00 0.00 C ATOM 1548 O PHE A 115 112.109 -14.201 -10.905 1.00 0.00 O ATOM 1549 CB PHE A 115 108.931 -15.058 -10.842 1.00 0.00 C ATOM 1550 CG PHE A 115 108.673 -16.291 -11.675 1.00 0.00 C ATOM 1551 CD1 PHE A 115 108.208 -17.462 -11.062 1.00 0.00 C ATOM 1552 CD2 PHE A 115 108.890 -16.266 -13.058 1.00 0.00 C ATOM 1553 CE1 PHE A 115 107.964 -18.606 -11.832 1.00 0.00 C ATOM 1554 CE2 PHE A 115 108.646 -17.409 -13.827 1.00 0.00 C ATOM 1555 CZ PHE A 115 108.183 -18.580 -13.213 1.00 0.00 C ATOM 0 H PHE A 115 110.187 -13.210 -9.428 1.00 0.00 H new ATOM 0 HA PHE A 115 110.160 -16.246 -9.492 1.00 0.00 H new ATOM 0 HB2 PHE A 115 108.070 -14.849 -10.208 1.00 0.00 H new ATOM 0 HB3 PHE A 115 109.068 -14.192 -11.489 1.00 0.00 H new ATOM 0 HD1 PHE A 115 108.038 -17.482 -9.996 1.00 0.00 H new ATOM 0 HD2 PHE A 115 109.246 -15.363 -13.532 1.00 0.00 H new ATOM 0 HE1 PHE A 115 107.607 -19.509 -11.359 1.00 0.00 H new ATOM 0 HE2 PHE A 115 108.815 -17.389 -14.894 1.00 0.00 H new ATOM 0 HZ PHE A 115 107.995 -19.463 -13.806 1.00 0.00 H new ATOM 1564 N ASN A 116 111.814 -16.311 -11.455 1.00 0.00 N ATOM 1565 CA ASN A 116 113.061 -16.312 -12.277 1.00 0.00 C ATOM 1566 C ASN A 116 112.756 -16.601 -13.757 1.00 0.00 C ATOM 1567 O ASN A 116 113.079 -17.662 -14.256 1.00 0.00 O ATOM 1568 CB ASN A 116 113.922 -17.426 -11.678 1.00 0.00 C ATOM 1569 CG ASN A 116 114.755 -16.864 -10.525 1.00 0.00 C ATOM 1570 OD1 ASN A 116 114.273 -16.069 -9.743 1.00 0.00 O ATOM 1571 ND2 ASN A 116 115.995 -17.245 -10.387 1.00 0.00 N ATOM 0 H ASN A 116 111.306 -17.195 -11.432 1.00 0.00 H new ATOM 0 HA ASN A 116 113.559 -15.343 -12.256 1.00 0.00 H new ATOM 0 HB2 ASN A 116 113.288 -18.238 -11.321 1.00 0.00 H new ATOM 0 HB3 ASN A 116 114.576 -17.845 -12.442 1.00 0.00 H new ATOM 0 HD21 ASN A 116 116.560 -16.875 -9.622 1.00 0.00 H new ATOM 0 HD22 ASN A 116 116.400 -17.913 -11.044 1.00 0.00 H new ATOM 1577 N PRO A 117 112.165 -15.636 -14.422 1.00 0.00 N ATOM 1578 CA PRO A 117 111.852 -15.796 -15.865 1.00 0.00 C ATOM 1579 C PRO A 117 113.143 -15.722 -16.696 1.00 0.00 C ATOM 1580 O PRO A 117 113.163 -16.062 -17.862 1.00 0.00 O ATOM 1581 CB PRO A 117 110.935 -14.615 -16.170 1.00 0.00 C ATOM 1582 CG PRO A 117 111.271 -13.586 -15.139 1.00 0.00 C ATOM 1583 CD PRO A 117 111.738 -14.324 -13.911 1.00 0.00 C ATOM 0 HA PRO A 117 111.389 -16.754 -16.103 1.00 0.00 H new ATOM 0 HB2 PRO A 117 111.104 -14.234 -17.177 1.00 0.00 H new ATOM 0 HB3 PRO A 117 109.886 -14.905 -16.111 1.00 0.00 H new ATOM 0 HG2 PRO A 117 112.049 -12.915 -15.504 1.00 0.00 H new ATOM 0 HG3 PRO A 117 110.400 -12.971 -14.911 1.00 0.00 H new ATOM 0 HD2 PRO A 117 112.559 -13.801 -13.420 1.00 0.00 H new ATOM 0 HD3 PRO A 117 110.938 -14.423 -13.177 1.00 0.00 H new ATOM 1588 N MET A 118 114.225 -15.297 -16.090 1.00 0.00 N ATOM 1589 CA MET A 118 115.519 -15.211 -16.801 1.00 0.00 C ATOM 1590 C MET A 118 116.625 -15.606 -15.825 1.00 0.00 C ATOM 1591 O MET A 118 116.549 -15.346 -14.640 1.00 0.00 O ATOM 1592 CB MET A 118 115.649 -13.752 -17.234 1.00 0.00 C ATOM 1593 CG MET A 118 114.546 -13.417 -18.241 1.00 0.00 C ATOM 1594 SD MET A 118 114.817 -11.755 -18.904 1.00 0.00 S ATOM 1595 CE MET A 118 116.242 -12.154 -19.946 1.00 0.00 C ATOM 0 H MET A 118 114.257 -15.003 -15.114 1.00 0.00 H new ATOM 0 HA MET A 118 115.587 -15.871 -17.666 1.00 0.00 H new ATOM 0 HB2 MET A 118 115.575 -13.096 -16.366 1.00 0.00 H new ATOM 0 HB3 MET A 118 116.628 -13.580 -17.681 1.00 0.00 H new ATOM 0 HG2 MET A 118 114.544 -14.147 -19.050 1.00 0.00 H new ATOM 0 HG3 MET A 118 113.570 -13.473 -17.759 1.00 0.00 H new ATOM 0 HE1 MET A 118 116.034 -11.860 -20.975 1.00 0.00 H new ATOM 0 HE2 MET A 118 117.119 -11.616 -19.585 1.00 0.00 H new ATOM 0 HE3 MET A 118 116.432 -13.227 -19.907 1.00 0.00 H new ATOM 1603 N GLU A 119 117.623 -16.265 -16.313 1.00 0.00 N ATOM 1604 CA GLU A 119 118.735 -16.739 -15.431 1.00 0.00 C ATOM 1605 C GLU A 119 119.446 -15.590 -14.696 1.00 0.00 C ATOM 1606 O GLU A 119 119.642 -15.653 -13.497 1.00 0.00 O ATOM 1607 CB GLU A 119 119.711 -17.441 -16.377 1.00 0.00 C ATOM 1608 CG GLU A 119 120.833 -18.096 -15.564 1.00 0.00 C ATOM 1609 CD GLU A 119 121.867 -18.724 -16.508 1.00 0.00 C ATOM 1610 OE1 GLU A 119 121.703 -18.607 -17.712 1.00 0.00 O ATOM 1611 OE2 GLU A 119 122.811 -19.313 -16.006 1.00 0.00 O ATOM 0 H GLU A 119 117.728 -16.505 -17.299 1.00 0.00 H new ATOM 0 HA GLU A 119 118.351 -17.390 -14.646 1.00 0.00 H new ATOM 0 HB2 GLU A 119 119.186 -18.195 -16.964 1.00 0.00 H new ATOM 0 HB3 GLU A 119 120.130 -16.723 -17.082 1.00 0.00 H new ATOM 0 HG2 GLU A 119 121.313 -17.353 -14.927 1.00 0.00 H new ATOM 0 HG3 GLU A 119 120.418 -18.859 -14.906 1.00 0.00 H new ATOM 1616 N ASN A 120 119.879 -14.567 -15.394 1.00 0.00 N ATOM 1617 CA ASN A 120 120.625 -13.461 -14.708 1.00 0.00 C ATOM 1618 C ASN A 120 119.707 -12.335 -14.211 1.00 0.00 C ATOM 1619 O ASN A 120 120.182 -11.347 -13.683 1.00 0.00 O ATOM 1620 CB ASN A 120 121.585 -12.924 -15.772 1.00 0.00 C ATOM 1621 CG ASN A 120 122.535 -14.039 -16.219 1.00 0.00 C ATOM 1622 OD1 ASN A 120 122.729 -14.248 -17.400 1.00 0.00 O ATOM 1623 ND2 ASN A 120 123.138 -14.766 -15.320 1.00 0.00 N ATOM 0 H ASN A 120 119.751 -14.449 -16.399 1.00 0.00 H new ATOM 0 HA ASN A 120 121.128 -13.834 -13.816 1.00 0.00 H new ATOM 0 HB2 ASN A 120 121.023 -12.548 -16.627 1.00 0.00 H new ATOM 0 HB3 ASN A 120 122.155 -12.086 -15.372 1.00 0.00 H new ATOM 0 HD21 ASN A 120 123.773 -15.510 -15.608 1.00 0.00 H new ATOM 0 HD22 ASN A 120 122.975 -14.590 -14.329 1.00 0.00 H new ATOM 1629 N VAL A 121 118.414 -12.455 -14.362 1.00 0.00 N ATOM 1630 CA VAL A 121 117.520 -11.355 -13.876 1.00 0.00 C ATOM 1631 C VAL A 121 116.130 -11.887 -13.508 1.00 0.00 C ATOM 1632 O VAL A 121 115.423 -12.421 -14.336 1.00 0.00 O ATOM 1633 CB VAL A 121 117.444 -10.368 -15.050 1.00 0.00 C ATOM 1634 CG1 VAL A 121 116.859 -11.063 -16.280 1.00 0.00 C ATOM 1635 CG2 VAL A 121 116.556 -9.178 -14.676 1.00 0.00 C ATOM 0 H VAL A 121 117.942 -13.250 -14.792 1.00 0.00 H new ATOM 0 HA VAL A 121 117.904 -10.887 -12.970 1.00 0.00 H new ATOM 0 HB VAL A 121 118.450 -10.015 -15.275 1.00 0.00 H new ATOM 0 HG11 VAL A 121 116.809 -10.356 -17.108 1.00 0.00 H new ATOM 0 HG12 VAL A 121 117.494 -11.904 -16.559 1.00 0.00 H new ATOM 0 HG13 VAL A 121 115.857 -11.425 -16.051 1.00 0.00 H new ATOM 0 HG21 VAL A 121 116.507 -8.483 -15.514 1.00 0.00 H new ATOM 0 HG22 VAL A 121 115.553 -9.533 -14.440 1.00 0.00 H new ATOM 0 HG23 VAL A 121 116.975 -8.670 -13.807 1.00 0.00 H new ATOM 1645 N ALA A 122 115.730 -11.734 -12.269 1.00 0.00 N ATOM 1646 CA ALA A 122 114.384 -12.222 -11.849 1.00 0.00 C ATOM 1647 C ALA A 122 113.467 -11.031 -11.547 1.00 0.00 C ATOM 1648 O ALA A 122 113.917 -9.908 -11.433 1.00 0.00 O ATOM 1649 CB ALA A 122 114.635 -13.043 -10.584 1.00 0.00 C ATOM 0 H ALA A 122 116.279 -11.292 -11.532 1.00 0.00 H new ATOM 0 HA ALA A 122 113.896 -12.813 -12.624 1.00 0.00 H new ATOM 0 HB1 ALA A 122 113.689 -13.438 -10.213 1.00 0.00 H new ATOM 0 HB2 ALA A 122 115.308 -13.869 -10.814 1.00 0.00 H new ATOM 0 HB3 ALA A 122 115.087 -12.408 -9.822 1.00 0.00 H new ATOM 1655 N LEU A 123 112.186 -11.267 -11.409 1.00 0.00 N ATOM 1656 CA LEU A 123 111.242 -10.150 -11.107 1.00 0.00 C ATOM 1657 C LEU A 123 110.671 -10.336 -9.702 1.00 0.00 C ATOM 1658 O LEU A 123 110.520 -11.448 -9.238 1.00 0.00 O ATOM 1659 CB LEU A 123 110.136 -10.267 -12.157 1.00 0.00 C ATOM 1660 CG LEU A 123 109.156 -9.103 -12.000 1.00 0.00 C ATOM 1661 CD1 LEU A 123 109.795 -7.818 -12.531 1.00 0.00 C ATOM 1662 CD2 LEU A 123 107.881 -9.400 -12.794 1.00 0.00 C ATOM 0 H LEU A 123 111.754 -12.187 -11.493 1.00 0.00 H new ATOM 0 HA LEU A 123 111.722 -9.172 -11.139 1.00 0.00 H new ATOM 0 HB2 LEU A 123 110.568 -10.260 -13.158 1.00 0.00 H new ATOM 0 HB3 LEU A 123 109.611 -11.216 -12.043 1.00 0.00 H new ATOM 0 HG LEU A 123 108.910 -8.978 -10.945 1.00 0.00 H new ATOM 0 HD11 LEU A 123 109.095 -6.990 -12.418 1.00 0.00 H new ATOM 0 HD12 LEU A 123 110.704 -7.604 -11.968 1.00 0.00 H new ATOM 0 HD13 LEU A 123 110.042 -7.943 -13.585 1.00 0.00 H new ATOM 0 HD21 LEU A 123 107.182 -8.571 -12.683 1.00 0.00 H new ATOM 0 HD22 LEU A 123 108.130 -9.526 -13.848 1.00 0.00 H new ATOM 0 HD23 LEU A 123 107.423 -10.314 -12.417 1.00 0.00 H new ATOM 1673 N ASP A 124 110.341 -9.269 -9.019 1.00 0.00 N ATOM 1674 CA ASP A 124 109.768 -9.408 -7.648 1.00 0.00 C ATOM 1675 C ASP A 124 108.595 -8.442 -7.484 1.00 0.00 C ATOM 1676 O ASP A 124 108.647 -7.312 -7.934 1.00 0.00 O ATOM 1677 CB ASP A 124 110.911 -9.037 -6.699 1.00 0.00 C ATOM 1678 CG ASP A 124 110.488 -9.288 -5.246 1.00 0.00 C ATOM 1679 OD1 ASP A 124 109.486 -9.955 -5.042 1.00 0.00 O ATOM 1680 OD2 ASP A 124 111.177 -8.808 -4.362 1.00 0.00 O ATOM 0 H ASP A 124 110.444 -8.310 -9.352 1.00 0.00 H new ATOM 0 HA ASP A 124 109.392 -10.411 -7.449 1.00 0.00 H new ATOM 0 HB2 ASP A 124 111.797 -9.626 -6.936 1.00 0.00 H new ATOM 0 HB3 ASP A 124 111.180 -7.989 -6.832 1.00 0.00 H new ATOM 1684 N PHE A 125 107.539 -8.870 -6.840 1.00 0.00 N ATOM 1685 CA PHE A 125 106.365 -7.973 -6.643 1.00 0.00 C ATOM 1686 C PHE A 125 105.904 -8.064 -5.185 1.00 0.00 C ATOM 1687 O PHE A 125 105.761 -9.145 -4.646 1.00 0.00 O ATOM 1688 CB PHE A 125 105.298 -8.526 -7.590 1.00 0.00 C ATOM 1689 CG PHE A 125 104.172 -7.532 -7.738 1.00 0.00 C ATOM 1690 CD1 PHE A 125 104.282 -6.490 -8.667 1.00 0.00 C ATOM 1691 CD2 PHE A 125 103.018 -7.656 -6.957 1.00 0.00 C ATOM 1692 CE1 PHE A 125 103.236 -5.571 -8.814 1.00 0.00 C ATOM 1693 CE2 PHE A 125 101.972 -6.737 -7.106 1.00 0.00 C ATOM 1694 CZ PHE A 125 102.081 -5.695 -8.035 1.00 0.00 C ATOM 0 H PHE A 125 107.441 -9.804 -6.442 1.00 0.00 H new ATOM 0 HA PHE A 125 106.581 -6.925 -6.849 1.00 0.00 H new ATOM 0 HB2 PHE A 125 105.739 -8.736 -8.565 1.00 0.00 H new ATOM 0 HB3 PHE A 125 104.912 -9.470 -7.205 1.00 0.00 H new ATOM 0 HD1 PHE A 125 105.173 -6.395 -9.270 1.00 0.00 H new ATOM 0 HD2 PHE A 125 102.934 -8.459 -6.240 1.00 0.00 H new ATOM 0 HE1 PHE A 125 103.321 -4.766 -9.529 1.00 0.00 H new ATOM 0 HE2 PHE A 125 101.080 -6.832 -6.504 1.00 0.00 H new ATOM 0 HZ PHE A 125 101.273 -4.987 -8.150 1.00 0.00 H new ATOM 1703 N SER A 126 105.679 -6.950 -4.538 1.00 0.00 N ATOM 1704 CA SER A 126 105.241 -6.998 -3.110 1.00 0.00 C ATOM 1705 C SER A 126 104.270 -5.858 -2.794 1.00 0.00 C ATOM 1706 O SER A 126 104.153 -4.902 -3.536 1.00 0.00 O ATOM 1707 CB SER A 126 106.527 -6.840 -2.299 1.00 0.00 C ATOM 1708 OG SER A 126 107.021 -5.517 -2.456 1.00 0.00 O ATOM 0 H SER A 126 105.779 -6.015 -4.933 1.00 0.00 H new ATOM 0 HA SER A 126 104.715 -7.924 -2.880 1.00 0.00 H new ATOM 0 HB2 SER A 126 106.334 -7.046 -1.246 1.00 0.00 H new ATOM 0 HB3 SER A 126 107.273 -7.561 -2.634 1.00 0.00 H new ATOM 0 HG SER A 126 107.845 -5.412 -1.936 1.00 0.00 H new ATOM 1713 N TYR A 127 103.578 -5.956 -1.688 1.00 0.00 N ATOM 1714 CA TYR A 127 102.614 -4.883 -1.300 1.00 0.00 C ATOM 1715 C TYR A 127 103.103 -4.197 -0.022 1.00 0.00 C ATOM 1716 O TYR A 127 103.472 -4.853 0.933 1.00 0.00 O ATOM 1717 CB TYR A 127 101.290 -5.606 -1.032 1.00 0.00 C ATOM 1718 CG TYR A 127 100.882 -6.412 -2.242 1.00 0.00 C ATOM 1719 CD1 TYR A 127 100.148 -5.812 -3.272 1.00 0.00 C ATOM 1720 CD2 TYR A 127 101.235 -7.764 -2.330 1.00 0.00 C ATOM 1721 CE1 TYR A 127 99.770 -6.565 -4.390 1.00 0.00 C ATOM 1722 CE2 TYR A 127 100.856 -8.516 -3.447 1.00 0.00 C ATOM 1723 CZ TYR A 127 100.123 -7.916 -4.477 1.00 0.00 C ATOM 1724 OH TYR A 127 99.750 -8.657 -5.581 1.00 0.00 O ATOM 0 H TYR A 127 103.640 -6.737 -1.034 1.00 0.00 H new ATOM 0 HA TYR A 127 102.510 -4.120 -2.071 1.00 0.00 H new ATOM 0 HB2 TYR A 127 101.394 -6.262 -0.167 1.00 0.00 H new ATOM 0 HB3 TYR A 127 100.513 -4.880 -0.791 1.00 0.00 H new ATOM 0 HD1 TYR A 127 99.874 -4.770 -3.204 1.00 0.00 H new ATOM 0 HD2 TYR A 127 101.800 -8.227 -1.535 1.00 0.00 H new ATOM 0 HE1 TYR A 127 99.205 -6.103 -5.186 1.00 0.00 H new ATOM 0 HE2 TYR A 127 101.129 -9.559 -3.514 1.00 0.00 H new ATOM 0 HH TYR A 127 100.400 -8.520 -6.302 1.00 0.00 H new ATOM 1733 N GLU A 128 103.111 -2.889 0.008 1.00 0.00 N ATOM 1734 CA GLU A 128 103.579 -2.175 1.234 1.00 0.00 C ATOM 1735 C GLU A 128 102.605 -1.057 1.618 1.00 0.00 C ATOM 1736 O GLU A 128 102.163 -0.290 0.784 1.00 0.00 O ATOM 1737 CB GLU A 128 104.941 -1.589 0.858 1.00 0.00 C ATOM 1738 CG GLU A 128 105.580 -0.949 2.094 1.00 0.00 C ATOM 1739 CD GLU A 128 106.895 -0.258 1.710 1.00 0.00 C ATOM 1740 OE1 GLU A 128 107.229 -0.254 0.535 1.00 0.00 O ATOM 1741 OE2 GLU A 128 107.549 0.257 2.603 1.00 0.00 O ATOM 0 H GLU A 128 102.815 -2.287 -0.760 1.00 0.00 H new ATOM 0 HA GLU A 128 103.641 -2.844 2.093 1.00 0.00 H new ATOM 0 HB2 GLU A 128 105.589 -2.372 0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 128 104.824 -0.845 0.070 1.00 0.00 H new ATOM 0 HG2 GLU A 128 104.894 -0.225 2.533 1.00 0.00 H new ATOM 0 HG3 GLU A 128 105.768 -1.710 2.851 1.00 0.00 H new ATOM 1746 N GLN A 129 102.281 -0.953 2.881 1.00 0.00 N ATOM 1747 CA GLN A 129 101.350 0.121 3.337 1.00 0.00 C ATOM 1748 C GLN A 129 101.958 0.859 4.535 1.00 0.00 C ATOM 1749 O GLN A 129 102.676 0.278 5.326 1.00 0.00 O ATOM 1750 CB GLN A 129 100.070 -0.609 3.747 1.00 0.00 C ATOM 1751 CG GLN A 129 99.463 -1.301 2.525 1.00 0.00 C ATOM 1752 CD GLN A 129 98.204 -2.067 2.938 1.00 0.00 C ATOM 1753 OE1 GLN A 129 98.005 -2.354 4.102 1.00 0.00 O ATOM 1754 NE2 GLN A 129 97.338 -2.413 2.025 1.00 0.00 N ATOM 0 H GLN A 129 102.623 -1.569 3.619 1.00 0.00 H new ATOM 0 HA GLN A 129 101.159 0.865 2.563 1.00 0.00 H new ATOM 0 HB2 GLN A 129 100.290 -1.343 4.522 1.00 0.00 H new ATOM 0 HB3 GLN A 129 99.356 0.097 4.170 1.00 0.00 H new ATOM 0 HG2 GLN A 129 99.217 -0.563 1.762 1.00 0.00 H new ATOM 0 HG3 GLN A 129 100.188 -1.985 2.085 1.00 0.00 H new ATOM 0 HE21 GLN A 129 97.504 -2.173 1.048 1.00 0.00 H new ATOM 0 HE22 GLN A 129 96.495 -2.924 2.289 1.00 0.00 H new ATOM 1761 N SER A 130 101.681 2.130 4.674 1.00 0.00 N ATOM 1762 CA SER A 130 102.250 2.896 5.824 1.00 0.00 C ATOM 1763 C SER A 130 101.201 3.845 6.407 1.00 0.00 C ATOM 1764 O SER A 130 100.436 4.456 5.686 1.00 0.00 O ATOM 1765 CB SER A 130 103.416 3.686 5.234 1.00 0.00 C ATOM 1766 OG SER A 130 104.099 4.366 6.278 1.00 0.00 O ATOM 0 H SER A 130 101.088 2.669 4.044 1.00 0.00 H new ATOM 0 HA SER A 130 102.567 2.241 6.636 1.00 0.00 H new ATOM 0 HB2 SER A 130 104.099 3.014 4.714 1.00 0.00 H new ATOM 0 HB3 SER A 130 103.050 4.401 4.497 1.00 0.00 H new ATOM 0 HG SER A 130 104.861 3.827 6.576 1.00 0.00 H new ATOM 1771 N ARG A 131 101.166 3.981 7.708 1.00 0.00 N ATOM 1772 CA ARG A 131 100.175 4.901 8.339 1.00 0.00 C ATOM 1773 C ARG A 131 100.886 5.843 9.311 1.00 0.00 C ATOM 1774 O ARG A 131 101.643 5.408 10.161 1.00 0.00 O ATOM 1775 CB ARG A 131 99.209 3.984 9.091 1.00 0.00 C ATOM 1776 CG ARG A 131 98.452 3.107 8.090 1.00 0.00 C ATOM 1777 CD ARG A 131 97.408 2.265 8.829 1.00 0.00 C ATOM 1778 NE ARG A 131 98.184 1.454 9.809 1.00 0.00 N ATOM 1779 CZ ARG A 131 97.655 1.139 10.959 1.00 0.00 C ATOM 1780 NH1 ARG A 131 97.249 2.078 11.768 1.00 0.00 N ATOM 1781 NH2 ARG A 131 97.533 -0.115 11.300 1.00 0.00 N ATOM 0 H ARG A 131 101.781 3.494 8.360 1.00 0.00 H new ATOM 0 HA ARG A 131 99.659 5.523 7.608 1.00 0.00 H new ATOM 0 HB2 ARG A 131 99.758 3.359 9.795 1.00 0.00 H new ATOM 0 HB3 ARG A 131 98.506 4.579 9.674 1.00 0.00 H new ATOM 0 HG2 ARG A 131 97.966 3.731 7.340 1.00 0.00 H new ATOM 0 HG3 ARG A 131 99.149 2.457 7.561 1.00 0.00 H new ATOM 0 HD2 ARG A 131 96.677 2.897 9.332 1.00 0.00 H new ATOM 0 HD3 ARG A 131 96.856 1.627 8.139 1.00 0.00 H new ATOM 0 HE ARG A 131 99.129 1.145 9.581 1.00 0.00 H new ATOM 0 HH11 ARG A 131 97.345 3.058 11.501 1.00 0.00 H new ATOM 0 HH12 ARG A 131 96.835 1.833 12.667 1.00 0.00 H new ATOM 0 HH21 ARG A 131 97.851 -0.849 10.667 1.00 0.00 H new ATOM 0 HH22 ARG A 131 97.119 -0.361 12.199 1.00 0.00 H new ATOM 1792 N ILE A 132 100.653 7.128 9.193 1.00 0.00 N ATOM 1793 CA ILE A 132 101.320 8.093 10.105 1.00 0.00 C ATOM 1794 C ILE A 132 100.268 8.966 10.789 1.00 0.00 C ATOM 1795 O ILE A 132 100.336 10.176 10.738 1.00 0.00 O ATOM 1796 CB ILE A 132 102.223 8.938 9.203 1.00 0.00 C ATOM 1797 CG1 ILE A 132 103.242 8.037 8.498 1.00 0.00 C ATOM 1798 CG2 ILE A 132 102.967 9.980 10.046 1.00 0.00 C ATOM 1799 CD1 ILE A 132 103.944 8.831 7.395 1.00 0.00 C ATOM 0 H ILE A 132 100.029 7.545 8.502 1.00 0.00 H new ATOM 0 HA ILE A 132 101.890 7.600 10.892 1.00 0.00 H new ATOM 0 HB ILE A 132 101.608 9.443 8.458 1.00 0.00 H new ATOM 0 HG12 ILE A 132 103.973 7.665 9.216 1.00 0.00 H new ATOM 0 HG13 ILE A 132 102.742 7.167 8.073 1.00 0.00 H new ATOM 0 HG21 ILE A 132 103.609 10.579 9.400 1.00 0.00 H new ATOM 0 HG22 ILE A 132 102.245 10.628 10.543 1.00 0.00 H new ATOM 0 HG23 ILE A 132 103.577 9.474 10.795 1.00 0.00 H new ATOM 0 HD11 ILE A 132 104.670 8.192 6.892 1.00 0.00 H new ATOM 0 HD12 ILE A 132 103.206 9.181 6.673 1.00 0.00 H new ATOM 0 HD13 ILE A 132 104.457 9.687 7.833 1.00 0.00 H new ATOM 1810 N ARG A 133 99.302 8.351 11.428 1.00 0.00 N ATOM 1811 CA ARG A 133 98.220 9.100 12.153 1.00 0.00 C ATOM 1812 C ARG A 133 97.383 9.989 11.221 1.00 0.00 C ATOM 1813 O ARG A 133 96.172 9.881 11.186 1.00 0.00 O ATOM 1814 CB ARG A 133 98.937 9.957 13.203 1.00 0.00 C ATOM 1815 CG ARG A 133 99.657 9.049 14.202 1.00 0.00 C ATOM 1816 CD ARG A 133 100.355 9.906 15.260 1.00 0.00 C ATOM 1817 NE ARG A 133 99.251 10.525 16.045 1.00 0.00 N ATOM 1818 CZ ARG A 133 99.430 11.680 16.625 1.00 0.00 C ATOM 1819 NH1 ARG A 133 100.083 11.749 17.753 1.00 0.00 N ATOM 1820 NH2 ARG A 133 98.957 12.767 16.078 1.00 0.00 N ATOM 0 H ARG A 133 99.214 7.336 11.480 1.00 0.00 H new ATOM 0 HA ARG A 133 97.514 8.398 12.597 1.00 0.00 H new ATOM 0 HB2 ARG A 133 99.653 10.621 12.718 1.00 0.00 H new ATOM 0 HB3 ARG A 133 98.218 10.589 13.724 1.00 0.00 H new ATOM 0 HG2 ARG A 133 98.944 8.376 14.677 1.00 0.00 H new ATOM 0 HG3 ARG A 133 100.386 8.427 13.684 1.00 0.00 H new ATOM 0 HD2 ARG A 133 101.000 9.300 15.896 1.00 0.00 H new ATOM 0 HD3 ARG A 133 100.986 10.666 14.799 1.00 0.00 H new ATOM 0 HE ARG A 133 98.355 10.046 16.129 1.00 0.00 H new ATOM 0 HH11 ARG A 133 100.453 10.900 18.181 1.00 0.00 H new ATOM 0 HH12 ARG A 133 100.223 12.652 18.207 1.00 0.00 H new ATOM 0 HH21 ARG A 133 98.447 12.714 15.196 1.00 0.00 H new ATOM 0 HH22 ARG A 133 99.098 13.669 16.532 1.00 0.00 H new ATOM 1831 N SER A 134 97.999 10.880 10.494 1.00 0.00 N ATOM 1832 CA SER A 134 97.221 11.786 9.603 1.00 0.00 C ATOM 1833 C SER A 134 97.359 11.386 8.134 1.00 0.00 C ATOM 1834 O SER A 134 96.598 11.840 7.299 1.00 0.00 O ATOM 1835 CB SER A 134 97.818 13.173 9.837 1.00 0.00 C ATOM 1836 OG SER A 134 96.969 13.908 10.708 1.00 0.00 O ATOM 0 H SER A 134 99.009 11.020 10.479 1.00 0.00 H new ATOM 0 HA SER A 134 96.155 11.746 9.826 1.00 0.00 H new ATOM 0 HB2 SER A 134 98.814 13.085 10.270 1.00 0.00 H new ATOM 0 HB3 SER A 134 97.929 13.699 8.889 1.00 0.00 H new ATOM 0 HG SER A 134 97.350 14.798 10.862 1.00 0.00 H new ATOM 1841 N VAL A 135 98.312 10.554 7.798 1.00 0.00 N ATOM 1842 CA VAL A 135 98.446 10.169 6.357 1.00 0.00 C ATOM 1843 C VAL A 135 98.710 8.672 6.183 1.00 0.00 C ATOM 1844 O VAL A 135 99.463 8.063 6.917 1.00 0.00 O ATOM 1845 CB VAL A 135 99.607 11.004 5.809 1.00 0.00 C ATOM 1846 CG1 VAL A 135 99.283 12.491 5.965 1.00 0.00 C ATOM 1847 CG2 VAL A 135 100.886 10.686 6.578 1.00 0.00 C ATOM 0 H VAL A 135 98.987 10.134 8.437 1.00 0.00 H new ATOM 0 HA VAL A 135 97.520 10.363 5.817 1.00 0.00 H new ATOM 0 HB VAL A 135 99.751 10.765 4.755 1.00 0.00 H new ATOM 0 HG11 VAL A 135 100.109 13.086 5.575 1.00 0.00 H new ATOM 0 HG12 VAL A 135 98.374 12.725 5.411 1.00 0.00 H new ATOM 0 HG13 VAL A 135 99.135 12.722 7.020 1.00 0.00 H new ATOM 0 HG21 VAL A 135 101.707 11.284 6.182 1.00 0.00 H new ATOM 0 HG22 VAL A 135 100.744 10.919 7.633 1.00 0.00 H new ATOM 0 HG23 VAL A 135 101.123 9.628 6.469 1.00 0.00 H new ATOM 1857 N ASP A 136 98.094 8.091 5.188 1.00 0.00 N ATOM 1858 CA ASP A 136 98.279 6.645 4.901 1.00 0.00 C ATOM 1859 C ASP A 136 98.513 6.488 3.400 1.00 0.00 C ATOM 1860 O ASP A 136 97.677 6.857 2.597 1.00 0.00 O ATOM 1861 CB ASP A 136 96.961 5.980 5.312 1.00 0.00 C ATOM 1862 CG ASP A 136 96.714 6.179 6.811 1.00 0.00 C ATOM 1863 OD1 ASP A 136 97.664 6.465 7.521 1.00 0.00 O ATOM 1864 OD2 ASP A 136 95.574 6.042 7.224 1.00 0.00 O ATOM 0 H ASP A 136 97.458 8.571 4.551 1.00 0.00 H new ATOM 0 HA ASP A 136 99.123 6.202 5.430 1.00 0.00 H new ATOM 0 HB2 ASP A 136 96.136 6.406 4.740 1.00 0.00 H new ATOM 0 HB3 ASP A 136 96.994 4.916 5.079 1.00 0.00 H new ATOM 1868 N VAL A 137 99.641 5.970 3.006 1.00 0.00 N ATOM 1869 CA VAL A 137 99.934 5.820 1.549 1.00 0.00 C ATOM 1870 C VAL A 137 99.986 4.340 1.155 1.00 0.00 C ATOM 1871 O VAL A 137 100.432 3.499 1.913 1.00 0.00 O ATOM 1872 CB VAL A 137 101.311 6.472 1.368 1.00 0.00 C ATOM 1873 CG1 VAL A 137 101.747 6.388 -0.100 1.00 0.00 C ATOM 1874 CG2 VAL A 137 101.241 7.943 1.794 1.00 0.00 C ATOM 0 H VAL A 137 100.378 5.642 3.631 1.00 0.00 H new ATOM 0 HA VAL A 137 99.168 6.279 0.924 1.00 0.00 H new ATOM 0 HB VAL A 137 102.037 5.944 1.986 1.00 0.00 H new ATOM 0 HG11 VAL A 137 102.726 6.854 -0.216 1.00 0.00 H new ATOM 0 HG12 VAL A 137 101.805 5.343 -0.403 1.00 0.00 H new ATOM 0 HG13 VAL A 137 101.021 6.908 -0.725 1.00 0.00 H new ATOM 0 HG21 VAL A 137 102.219 8.406 1.665 1.00 0.00 H new ATOM 0 HG22 VAL A 137 100.509 8.466 1.179 1.00 0.00 H new ATOM 0 HG23 VAL A 137 100.945 8.005 2.841 1.00 0.00 H new ATOM 1884 N GLY A 138 99.566 4.024 -0.044 1.00 0.00 N ATOM 1885 CA GLY A 138 99.619 2.611 -0.521 1.00 0.00 C ATOM 1886 C GLY A 138 100.565 2.571 -1.719 1.00 0.00 C ATOM 1887 O GLY A 138 100.388 3.306 -2.672 1.00 0.00 O ATOM 0 H GLY A 138 99.186 4.690 -0.717 1.00 0.00 H new ATOM 0 HA2 GLY A 138 99.974 1.951 0.271 1.00 0.00 H new ATOM 0 HA3 GLY A 138 98.625 2.264 -0.804 1.00 0.00 H new ATOM 1890 N THR A 139 101.586 1.754 -1.677 1.00 0.00 N ATOM 1891 CA THR A 139 102.551 1.730 -2.816 1.00 0.00 C ATOM 1892 C THR A 139 102.749 0.322 -3.386 1.00 0.00 C ATOM 1893 O THR A 139 102.624 -0.672 -2.698 1.00 0.00 O ATOM 1894 CB THR A 139 103.861 2.256 -2.215 1.00 0.00 C ATOM 1895 OG1 THR A 139 104.806 2.468 -3.254 1.00 0.00 O ATOM 1896 CG2 THR A 139 104.425 1.251 -1.204 1.00 0.00 C ATOM 0 H THR A 139 101.792 1.110 -0.913 1.00 0.00 H new ATOM 0 HA THR A 139 102.191 2.329 -3.653 1.00 0.00 H new ATOM 0 HB THR A 139 103.662 3.197 -1.701 1.00 0.00 H new ATOM 0 HG1 THR A 139 104.338 2.736 -4.072 1.00 0.00 H new ATOM 0 HG21 THR A 139 105.354 1.638 -0.786 1.00 0.00 H new ATOM 0 HG22 THR A 139 103.703 1.097 -0.402 1.00 0.00 H new ATOM 0 HG23 THR A 139 104.619 0.302 -1.704 1.00 0.00 H new ATOM 1904 N TRP A 140 103.089 0.253 -4.646 1.00 0.00 N ATOM 1905 CA TRP A 140 103.339 -1.062 -5.301 1.00 0.00 C ATOM 1906 C TRP A 140 104.833 -1.151 -5.623 1.00 0.00 C ATOM 1907 O TRP A 140 105.429 -0.187 -6.062 1.00 0.00 O ATOM 1908 CB TRP A 140 102.506 -1.036 -6.586 1.00 0.00 C ATOM 1909 CG TRP A 140 101.064 -0.808 -6.250 1.00 0.00 C ATOM 1910 CD1 TRP A 140 100.531 0.385 -5.902 1.00 0.00 C ATOM 1911 CD2 TRP A 140 99.967 -1.767 -6.231 1.00 0.00 C ATOM 1912 NE1 TRP A 140 99.178 0.220 -5.666 1.00 0.00 N ATOM 1913 CE2 TRP A 140 98.783 -1.090 -5.856 1.00 0.00 C ATOM 1914 CE3 TRP A 140 99.885 -3.145 -6.498 1.00 0.00 C ATOM 1915 CZ2 TRP A 140 97.562 -1.755 -5.751 1.00 0.00 C ATOM 1916 CZ3 TRP A 140 98.657 -3.818 -6.394 1.00 0.00 C ATOM 1917 CH2 TRP A 140 97.497 -3.125 -6.022 1.00 0.00 C ATOM 0 H TRP A 140 103.205 1.063 -5.255 1.00 0.00 H new ATOM 0 HA TRP A 140 103.070 -1.917 -4.681 1.00 0.00 H new ATOM 0 HB2 TRP A 140 102.864 -0.247 -7.247 1.00 0.00 H new ATOM 0 HB3 TRP A 140 102.619 -1.978 -7.123 1.00 0.00 H new ATOM 0 HD1 TRP A 140 101.073 1.315 -5.821 1.00 0.00 H new ATOM 0 HE1 TRP A 140 98.549 0.973 -5.386 1.00 0.00 H new ATOM 0 HE3 TRP A 140 100.772 -3.689 -6.785 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 96.672 -1.215 -5.462 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 98.606 -4.877 -6.602 1.00 0.00 H new ATOM 0 HH2 TRP A 140 96.555 -3.648 -5.945 1.00 0.00 H new ATOM 1927 N ILE A 141 105.453 -2.278 -5.392 1.00 0.00 N ATOM 1928 CA ILE A 141 106.919 -2.381 -5.669 1.00 0.00 C ATOM 1929 C ILE A 141 107.208 -3.381 -6.791 1.00 0.00 C ATOM 1930 O ILE A 141 106.685 -4.479 -6.812 1.00 0.00 O ATOM 1931 CB ILE A 141 107.538 -2.858 -4.352 1.00 0.00 C ATOM 1932 CG1 ILE A 141 107.208 -1.857 -3.239 1.00 0.00 C ATOM 1933 CG2 ILE A 141 109.056 -2.962 -4.507 1.00 0.00 C ATOM 1934 CD1 ILE A 141 107.704 -2.401 -1.897 1.00 0.00 C ATOM 0 H ILE A 141 105.015 -3.124 -5.028 1.00 0.00 H new ATOM 0 HA ILE A 141 107.331 -1.428 -6.001 1.00 0.00 H new ATOM 0 HB ILE A 141 107.131 -3.836 -4.095 1.00 0.00 H new ATOM 0 HG12 ILE A 141 107.677 -0.896 -3.449 1.00 0.00 H new ATOM 0 HG13 ILE A 141 106.133 -1.684 -3.198 1.00 0.00 H new ATOM 0 HG21 ILE A 141 109.495 -3.302 -3.569 1.00 0.00 H new ATOM 0 HG22 ILE A 141 109.293 -3.674 -5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 141 109.463 -1.984 -4.765 1.00 0.00 H new ATOM 0 HD11 ILE A 141 107.469 -1.689 -1.106 1.00 0.00 H new ATOM 0 HD12 ILE A 141 107.214 -3.352 -1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 141 108.783 -2.551 -1.941 1.00 0.00 H new ATOM 1945 N ALA A 142 108.062 -3.010 -7.711 1.00 0.00 N ATOM 1946 CA ALA A 142 108.422 -3.932 -8.826 1.00 0.00 C ATOM 1947 C ALA A 142 109.889 -3.711 -9.194 1.00 0.00 C ATOM 1948 O ALA A 142 110.314 -2.589 -9.398 1.00 0.00 O ATOM 1949 CB ALA A 142 107.506 -3.539 -9.985 1.00 0.00 C ATOM 0 H ALA A 142 108.527 -2.102 -7.736 1.00 0.00 H new ATOM 0 HA ALA A 142 108.299 -4.984 -8.567 1.00 0.00 H new ATOM 0 HB1 ALA A 142 107.713 -4.176 -10.845 1.00 0.00 H new ATOM 0 HB2 ALA A 142 106.466 -3.662 -9.684 1.00 0.00 H new ATOM 0 HB3 ALA A 142 107.685 -2.498 -10.253 1.00 0.00 H new ATOM 1955 N GLY A 143 110.676 -4.755 -9.257 1.00 0.00 N ATOM 1956 CA GLY A 143 112.117 -4.555 -9.585 1.00 0.00 C ATOM 1957 C GLY A 143 112.764 -5.839 -10.107 1.00 0.00 C ATOM 1958 O GLY A 143 112.111 -6.734 -10.606 1.00 0.00 O ATOM 0 H GLY A 143 110.389 -5.721 -9.098 1.00 0.00 H new ATOM 0 HA2 GLY A 143 112.214 -3.769 -10.334 1.00 0.00 H new ATOM 0 HA3 GLY A 143 112.648 -4.216 -8.696 1.00 0.00 H new ATOM 1961 N VAL A 144 114.066 -5.905 -9.998 1.00 0.00 N ATOM 1962 CA VAL A 144 114.823 -7.094 -10.490 1.00 0.00 C ATOM 1963 C VAL A 144 115.416 -7.879 -9.314 1.00 0.00 C ATOM 1964 O VAL A 144 115.512 -7.380 -8.213 1.00 0.00 O ATOM 1965 CB VAL A 144 115.936 -6.512 -11.371 1.00 0.00 C ATOM 1966 CG1 VAL A 144 116.808 -5.555 -10.552 1.00 0.00 C ATOM 1967 CG2 VAL A 144 116.808 -7.647 -11.912 1.00 0.00 C ATOM 0 H VAL A 144 114.644 -5.175 -9.583 1.00 0.00 H new ATOM 0 HA VAL A 144 114.188 -7.790 -11.038 1.00 0.00 H new ATOM 0 HB VAL A 144 115.482 -5.968 -12.199 1.00 0.00 H new ATOM 0 HG11 VAL A 144 117.595 -5.147 -11.186 1.00 0.00 H new ATOM 0 HG12 VAL A 144 116.193 -4.741 -10.168 1.00 0.00 H new ATOM 0 HG13 VAL A 144 117.257 -6.095 -9.718 1.00 0.00 H new ATOM 0 HG21 VAL A 144 117.598 -7.232 -12.538 1.00 0.00 H new ATOM 0 HG22 VAL A 144 117.253 -8.192 -11.080 1.00 0.00 H new ATOM 0 HG23 VAL A 144 116.195 -8.326 -12.505 1.00 0.00 H new ATOM 1977 N GLY A 145 115.809 -9.107 -9.548 1.00 0.00 N ATOM 1978 CA GLY A 145 116.394 -9.931 -8.449 1.00 0.00 C ATOM 1979 C GLY A 145 117.567 -10.761 -8.984 1.00 0.00 C ATOM 1980 O GLY A 145 117.462 -11.419 -10.001 1.00 0.00 O ATOM 0 H GLY A 145 115.749 -9.573 -10.453 1.00 0.00 H new ATOM 0 HA2 GLY A 145 116.734 -9.284 -7.640 1.00 0.00 H new ATOM 0 HA3 GLY A 145 115.632 -10.589 -8.032 1.00 0.00 H new ATOM 1983 N TYR A 146 118.681 -10.737 -8.298 1.00 0.00 N ATOM 1984 CA TYR A 146 119.870 -11.525 -8.749 1.00 0.00 C ATOM 1985 C TYR A 146 120.409 -12.367 -7.587 1.00 0.00 C ATOM 1986 O TYR A 146 120.356 -11.956 -6.447 1.00 0.00 O ATOM 1987 CB TYR A 146 120.899 -10.478 -9.176 1.00 0.00 C ATOM 1988 CG TYR A 146 122.112 -11.168 -9.752 1.00 0.00 C ATOM 1989 CD1 TYR A 146 122.129 -11.547 -11.099 1.00 0.00 C ATOM 1990 CD2 TYR A 146 123.222 -11.428 -8.938 1.00 0.00 C ATOM 1991 CE1 TYR A 146 123.254 -12.187 -11.633 1.00 0.00 C ATOM 1992 CE2 TYR A 146 124.346 -12.068 -9.471 1.00 0.00 C ATOM 1993 CZ TYR A 146 124.363 -12.447 -10.818 1.00 0.00 C ATOM 1994 OH TYR A 146 125.472 -13.077 -11.345 1.00 0.00 O ATOM 0 H TYR A 146 118.820 -10.203 -7.440 1.00 0.00 H new ATOM 0 HA TYR A 146 119.631 -12.213 -9.560 1.00 0.00 H new ATOM 0 HB2 TYR A 146 120.464 -9.806 -9.916 1.00 0.00 H new ATOM 0 HB3 TYR A 146 121.187 -9.866 -8.321 1.00 0.00 H new ATOM 0 HD1 TYR A 146 121.274 -11.346 -11.727 1.00 0.00 H new ATOM 0 HD2 TYR A 146 123.210 -11.134 -7.899 1.00 0.00 H new ATOM 0 HE1 TYR A 146 123.267 -12.480 -12.672 1.00 0.00 H new ATOM 0 HE2 TYR A 146 125.201 -12.270 -8.843 1.00 0.00 H new ATOM 0 HH TYR A 146 126.152 -13.180 -10.647 1.00 0.00 H new ATOM 2003 N ARG A 147 120.918 -13.541 -7.866 1.00 0.00 N ATOM 2004 CA ARG A 147 121.449 -14.406 -6.766 1.00 0.00 C ATOM 2005 C ARG A 147 122.881 -14.869 -7.071 1.00 0.00 C ATOM 2006 O ARG A 147 123.132 -15.529 -8.061 1.00 0.00 O ATOM 2007 CB ARG A 147 120.500 -15.604 -6.728 1.00 0.00 C ATOM 2008 CG ARG A 147 120.909 -16.554 -5.599 1.00 0.00 C ATOM 2009 CD ARG A 147 120.009 -17.792 -5.625 1.00 0.00 C ATOM 2010 NE ARG A 147 120.449 -18.612 -4.462 1.00 0.00 N ATOM 2011 CZ ARG A 147 121.322 -19.568 -4.631 1.00 0.00 C ATOM 2012 NH1 ARG A 147 122.598 -19.301 -4.575 1.00 0.00 N ATOM 2013 NH2 ARG A 147 120.919 -20.788 -4.856 1.00 0.00 N ATOM 0 H ARG A 147 120.989 -13.937 -8.803 1.00 0.00 H new ATOM 0 HA ARG A 147 121.494 -13.875 -5.815 1.00 0.00 H new ATOM 0 HB2 ARG A 147 119.476 -15.264 -6.576 1.00 0.00 H new ATOM 0 HB3 ARG A 147 120.523 -16.128 -7.683 1.00 0.00 H new ATOM 0 HG2 ARG A 147 121.952 -16.847 -5.715 1.00 0.00 H new ATOM 0 HG3 ARG A 147 120.825 -16.050 -4.636 1.00 0.00 H new ATOM 0 HD2 ARG A 147 118.958 -17.518 -5.539 1.00 0.00 H new ATOM 0 HD3 ARG A 147 120.120 -18.341 -6.560 1.00 0.00 H new ATOM 0 HE ARG A 147 120.068 -18.427 -3.534 1.00 0.00 H new ATOM 0 HH11 ARG A 147 122.912 -18.347 -4.399 1.00 0.00 H new ATOM 0 HH12 ARG A 147 123.281 -20.047 -4.707 1.00 0.00 H new ATOM 0 HH21 ARG A 147 119.921 -20.996 -4.900 1.00 0.00 H new ATOM 0 HH22 ARG A 147 121.602 -21.534 -4.988 1.00 0.00 H new ATOM 2024 N PHE A 148 123.819 -14.525 -6.222 1.00 0.00 N ATOM 2025 CA PHE A 148 125.235 -14.941 -6.458 1.00 0.00 C ATOM 2026 C PHE A 148 125.344 -16.468 -6.442 1.00 0.00 C ATOM 2027 CB PHE A 148 126.030 -14.336 -5.300 1.00 0.00 C ATOM 2028 CG PHE A 148 127.504 -14.575 -5.520 1.00 0.00 C ATOM 2029 CD1 PHE A 148 128.251 -13.680 -6.296 1.00 0.00 C ATOM 2030 CD2 PHE A 148 128.125 -15.692 -4.948 1.00 0.00 C ATOM 2031 CE1 PHE A 148 129.618 -13.903 -6.500 1.00 0.00 C ATOM 2032 CE2 PHE A 148 129.492 -15.915 -5.153 1.00 0.00 C ATOM 2033 CZ PHE A 148 130.239 -15.020 -5.929 1.00 0.00 C ATOM 0 H PHE A 148 123.664 -13.975 -5.377 1.00 0.00 H new ATOM 0 HA PHE A 148 125.607 -14.603 -7.425 1.00 0.00 H new ATOM 0 HB2 PHE A 148 125.831 -13.267 -5.228 1.00 0.00 H new ATOM 0 HB3 PHE A 148 125.715 -14.783 -4.357 1.00 0.00 H new ATOM 0 HD1 PHE A 148 127.773 -12.818 -6.737 1.00 0.00 H new ATOM 0 HD2 PHE A 148 127.549 -16.382 -4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 148 130.194 -13.213 -7.098 1.00 0.00 H new ATOM 0 HE2 PHE A 148 129.970 -16.777 -4.713 1.00 0.00 H new ATOM 0 HZ PHE A 148 131.294 -15.192 -6.087 1.00 0.00 H new TER 2042 PHE A 148