USER MOD reduce.3.24.130724 H: found=0, std=0, add=826, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 698 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 108 SER OG : rot 180:sc= 0.186 USER MOD Set 1.2: A 130 SER OG : rot 102:sc= 0.199 USER MOD Set 2.1: A 80 TYR OH : rot -37:sc= -1.12 USER MOD Set 2.2: A 126 SER OG : rot 180:sc= -1.54 USER MOD Set 3.1: A 45 TYR OH : rot 180:sc= -0.0566 USER MOD Set 3.2: A 61 GLN : amide:sc= 1.07 K(o=2,f=-6!) USER MOD Set 3.3: A 63 TYR OH : rot 176:sc= 0.953 USER MOD Set 4.1: A 42 SER OG : rot -56:sc= 1.77 USER MOD Set 4.2: A 66 THR OG1 : rot 76:sc= 1.05 USER MOD Set 5.1: A 25 ASN : amide:sc= -0.768 K(o=-1.4,f=-6!) USER MOD Set 5.2: A 27 LYS NZ :NH3+ 165:sc= -0.604 (180deg=-1.2) USER MOD Set 5.3: A 44 THR OG1 : rot 180:sc=-0.00536 USER MOD Set 6.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 6.2: A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot -40:sc= 0.163 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot -20:sc= 0.065 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 GLN : amide:sc= -0.416 X(o=-0.42,f=-0.28) USER MOD Single : A 12 SER OG : rot -5:sc= -1.26 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 17 GLN : amide:sc= -1.27 K(o=-1.3,f=-3.7!) USER MOD Single : A 18 MET CE :methyl 143:sc= -0.123 (180deg=-0.98) USER MOD Single : A 19 ASN : amide:sc= -0.597 K(o=-0.6,f=-3!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 150:sc= -1.92 (180deg=-4.16!) USER MOD Single : A 30 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 15:sc= -0.464 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 TYR OH : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.366 X(o=-0.37,f=-0.28) USER MOD Single : A 116 ASN : amide:sc= -3.15 K(o=-3.1,f=-3.9!) USER MOD Single : A 118 MET CE :methyl 174:sc= -2.11 (180deg=-2.16) USER MOD Single : A 120 ASN : amide:sc=-0.00894 K(o=-0.0089,f=-1.9) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 129 GLN : amide:sc= -0.0408 K(o=-0.041,f=-0.81) USER MOD Single : A 134 SER OG : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot 21:sc= -0.332 USER MOD Single : A 146 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 2 125.084 -18.025 1.961 1.00 0.00 N ATOM 2 CA THR A 2 125.117 -17.454 0.582 1.00 0.00 C ATOM 3 C THR A 2 124.707 -15.980 0.621 1.00 0.00 C ATOM 4 O THR A 2 124.231 -15.489 1.627 1.00 0.00 O ATOM 5 CB THR A 2 124.101 -18.272 -0.220 1.00 0.00 C ATOM 6 OG1 THR A 2 122.810 -18.110 0.351 1.00 0.00 O ATOM 7 CG2 THR A 2 124.489 -19.753 -0.203 1.00 0.00 C ATOM 0 HA THR A 2 126.111 -17.502 0.138 1.00 0.00 H new ATOM 0 HB THR A 2 124.092 -17.921 -1.252 1.00 0.00 H new ATOM 0 HG1 THR A 2 122.883 -18.107 1.328 1.00 0.00 H new ATOM 0 HG21 THR A 2 123.760 -20.327 -0.776 1.00 0.00 H new ATOM 0 HG22 THR A 2 125.477 -19.875 -0.647 1.00 0.00 H new ATOM 0 HG23 THR A 2 124.506 -20.113 0.826 1.00 0.00 H new ATOM 15 N SER A 3 124.880 -15.270 -0.465 1.00 0.00 N ATOM 16 CA SER A 3 124.491 -13.831 -0.484 1.00 0.00 C ATOM 17 C SER A 3 123.369 -13.620 -1.502 1.00 0.00 C ATOM 18 O SER A 3 123.332 -14.264 -2.532 1.00 0.00 O ATOM 19 CB SER A 3 125.752 -13.083 -0.911 1.00 0.00 C ATOM 20 OG SER A 3 126.799 -13.365 0.010 1.00 0.00 O ATOM 0 H SER A 3 125.273 -15.625 -1.337 1.00 0.00 H new ATOM 0 HA SER A 3 124.125 -13.482 0.482 1.00 0.00 H new ATOM 0 HB2 SER A 3 126.045 -13.385 -1.916 1.00 0.00 H new ATOM 0 HB3 SER A 3 125.559 -12.011 -0.944 1.00 0.00 H new ATOM 0 HG SER A 3 127.611 -12.888 -0.262 1.00 0.00 H new ATOM 25 N THR A 4 122.456 -12.725 -1.228 1.00 0.00 N ATOM 26 CA THR A 4 121.345 -12.483 -2.192 1.00 0.00 C ATOM 27 C THR A 4 121.095 -10.982 -2.363 1.00 0.00 C ATOM 28 O THR A 4 121.160 -10.218 -1.420 1.00 0.00 O ATOM 29 CB THR A 4 120.128 -13.164 -1.569 1.00 0.00 C ATOM 30 OG1 THR A 4 120.427 -14.530 -1.319 1.00 0.00 O ATOM 31 CG2 THR A 4 118.939 -13.064 -2.526 1.00 0.00 C ATOM 0 H THR A 4 122.432 -12.155 -0.383 1.00 0.00 H new ATOM 0 HA THR A 4 121.571 -12.874 -3.184 1.00 0.00 H new ATOM 0 HB THR A 4 119.876 -12.671 -0.630 1.00 0.00 H new ATOM 0 HG1 THR A 4 119.647 -14.967 -0.918 1.00 0.00 H new ATOM 0 HG21 THR A 4 118.071 -13.550 -2.080 1.00 0.00 H new ATOM 0 HG22 THR A 4 118.710 -12.015 -2.714 1.00 0.00 H new ATOM 0 HG23 THR A 4 119.187 -13.555 -3.467 1.00 0.00 H new ATOM 39 N VAL A 5 120.796 -10.565 -3.563 1.00 0.00 N ATOM 40 CA VAL A 5 120.521 -9.119 -3.813 1.00 0.00 C ATOM 41 C VAL A 5 119.191 -8.971 -4.557 1.00 0.00 C ATOM 42 O VAL A 5 118.872 -9.759 -5.421 1.00 0.00 O ATOM 43 CB VAL A 5 121.695 -8.624 -4.669 1.00 0.00 C ATOM 44 CG1 VAL A 5 121.710 -9.353 -6.019 1.00 0.00 C ATOM 45 CG2 VAL A 5 121.559 -7.112 -4.901 1.00 0.00 C ATOM 0 H VAL A 5 120.730 -11.165 -4.385 1.00 0.00 H new ATOM 0 HA VAL A 5 120.437 -8.542 -2.892 1.00 0.00 H new ATOM 0 HB VAL A 5 122.628 -8.831 -4.145 1.00 0.00 H new ATOM 0 HG11 VAL A 5 122.547 -8.993 -6.617 1.00 0.00 H new ATOM 0 HG12 VAL A 5 121.817 -10.425 -5.853 1.00 0.00 H new ATOM 0 HG13 VAL A 5 120.777 -9.159 -6.548 1.00 0.00 H new ATOM 0 HG21 VAL A 5 122.393 -6.761 -5.509 1.00 0.00 H new ATOM 0 HG22 VAL A 5 120.621 -6.906 -5.417 1.00 0.00 H new ATOM 0 HG23 VAL A 5 121.566 -6.595 -3.942 1.00 0.00 H new ATOM 55 N THR A 6 118.417 -7.970 -4.225 1.00 0.00 N ATOM 56 CA THR A 6 117.104 -7.771 -4.913 1.00 0.00 C ATOM 57 C THR A 6 116.675 -6.305 -4.799 1.00 0.00 C ATOM 58 O THR A 6 116.728 -5.728 -3.730 1.00 0.00 O ATOM 59 CB THR A 6 116.127 -8.673 -4.156 1.00 0.00 C ATOM 60 OG1 THR A 6 116.605 -10.011 -4.175 1.00 0.00 O ATOM 61 CG2 THR A 6 114.749 -8.609 -4.815 1.00 0.00 C ATOM 0 H THR A 6 118.637 -7.280 -3.506 1.00 0.00 H new ATOM 0 HA THR A 6 117.146 -8.013 -5.975 1.00 0.00 H new ATOM 0 HB THR A 6 116.046 -8.332 -3.124 1.00 0.00 H new ATOM 0 HG1 THR A 6 117.244 -10.120 -4.910 1.00 0.00 H new ATOM 0 HG21 THR A 6 114.056 -9.253 -4.273 1.00 0.00 H new ATOM 0 HG22 THR A 6 114.383 -7.583 -4.794 1.00 0.00 H new ATOM 0 HG23 THR A 6 114.824 -8.946 -5.849 1.00 0.00 H new ATOM 69 N GLY A 7 116.248 -5.694 -5.877 1.00 0.00 N ATOM 70 CA GLY A 7 115.821 -4.266 -5.791 1.00 0.00 C ATOM 71 C GLY A 7 115.054 -3.868 -7.054 1.00 0.00 C ATOM 72 O GLY A 7 114.968 -4.622 -8.003 1.00 0.00 O ATOM 0 H GLY A 7 116.178 -6.118 -6.802 1.00 0.00 H new ATOM 0 HA2 GLY A 7 115.192 -4.119 -4.913 1.00 0.00 H new ATOM 0 HA3 GLY A 7 116.694 -3.624 -5.669 1.00 0.00 H new ATOM 75 N GLY A 8 114.500 -2.680 -7.070 1.00 0.00 N ATOM 76 CA GLY A 8 113.735 -2.218 -8.267 1.00 0.00 C ATOM 77 C GLY A 8 113.200 -0.802 -8.024 1.00 0.00 C ATOM 78 O GLY A 8 113.937 0.095 -7.658 1.00 0.00 O ATOM 0 H GLY A 8 114.546 -2.010 -6.303 1.00 0.00 H new ATOM 0 HA2 GLY A 8 114.378 -2.228 -9.147 1.00 0.00 H new ATOM 0 HA3 GLY A 8 112.909 -2.900 -8.468 1.00 0.00 H new ATOM 81 N TYR A 9 111.924 -0.596 -8.227 1.00 0.00 N ATOM 82 CA TYR A 9 111.328 0.760 -8.013 1.00 0.00 C ATOM 83 C TYR A 9 110.267 0.694 -6.911 1.00 0.00 C ATOM 84 O TYR A 9 109.662 -0.341 -6.693 1.00 0.00 O ATOM 85 CB TYR A 9 110.682 1.128 -9.351 1.00 0.00 C ATOM 86 CG TYR A 9 111.731 1.156 -10.436 1.00 0.00 C ATOM 87 CD1 TYR A 9 112.437 2.337 -10.699 1.00 0.00 C ATOM 88 CD2 TYR A 9 111.998 0.001 -11.182 1.00 0.00 C ATOM 89 CE1 TYR A 9 113.407 2.363 -11.708 1.00 0.00 C ATOM 90 CE2 TYR A 9 112.968 0.028 -12.189 1.00 0.00 C ATOM 91 CZ TYR A 9 113.673 1.208 -12.453 1.00 0.00 C ATOM 92 OH TYR A 9 114.630 1.234 -13.446 1.00 0.00 O ATOM 0 H TYR A 9 111.265 -1.312 -8.533 1.00 0.00 H new ATOM 0 HA TYR A 9 112.071 1.495 -7.705 1.00 0.00 H new ATOM 0 HB2 TYR A 9 109.906 0.405 -9.602 1.00 0.00 H new ATOM 0 HB3 TYR A 9 110.198 2.102 -9.276 1.00 0.00 H new ATOM 0 HD1 TYR A 9 112.233 3.228 -10.123 1.00 0.00 H new ATOM 0 HD2 TYR A 9 111.455 -0.910 -10.980 1.00 0.00 H new ATOM 0 HE1 TYR A 9 113.950 3.274 -11.912 1.00 0.00 H new ATOM 0 HE2 TYR A 9 113.173 -0.863 -12.764 1.00 0.00 H new ATOM 0 HH TYR A 9 114.691 0.350 -13.865 1.00 0.00 H new ATOM 101 N ALA A 10 110.030 1.780 -6.213 1.00 0.00 N ATOM 102 CA ALA A 10 109.004 1.747 -5.133 1.00 0.00 C ATOM 103 C ALA A 10 107.957 2.843 -5.348 1.00 0.00 C ATOM 104 O ALA A 10 108.257 4.019 -5.292 1.00 0.00 O ATOM 105 CB ALA A 10 109.782 1.998 -3.842 1.00 0.00 C ATOM 0 H ALA A 10 110.499 2.676 -6.345 1.00 0.00 H new ATOM 0 HA ALA A 10 108.465 0.800 -5.112 1.00 0.00 H new ATOM 0 HB1 ALA A 10 109.095 1.989 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 10 110.530 1.216 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 10 110.276 2.968 -3.898 1.00 0.00 H new ATOM 111 N GLN A 11 106.728 2.461 -5.567 1.00 0.00 N ATOM 112 CA GLN A 11 105.644 3.469 -5.759 1.00 0.00 C ATOM 113 C GLN A 11 104.718 3.416 -4.546 1.00 0.00 C ATOM 114 O GLN A 11 104.479 2.356 -3.999 1.00 0.00 O ATOM 115 CB GLN A 11 104.904 3.033 -7.028 1.00 0.00 C ATOM 116 CG GLN A 11 105.880 2.971 -8.207 1.00 0.00 C ATOM 117 CD GLN A 11 106.455 4.364 -8.476 1.00 0.00 C ATOM 118 OE1 GLN A 11 105.723 5.329 -8.571 1.00 0.00 O ATOM 119 NE2 GLN A 11 107.746 4.510 -8.603 1.00 0.00 N ATOM 0 H GLN A 11 106.426 1.488 -5.622 1.00 0.00 H new ATOM 0 HA GLN A 11 106.016 4.489 -5.856 1.00 0.00 H new ATOM 0 HB2 GLN A 11 104.444 2.057 -6.874 1.00 0.00 H new ATOM 0 HB3 GLN A 11 104.098 3.733 -7.248 1.00 0.00 H new ATOM 0 HG2 GLN A 11 106.686 2.271 -7.988 1.00 0.00 H new ATOM 0 HG3 GLN A 11 105.369 2.600 -9.095 1.00 0.00 H new ATOM 0 HE21 GLN A 11 108.361 3.700 -8.523 1.00 0.00 H new ATOM 0 HE22 GLN A 11 108.140 5.434 -8.782 1.00 0.00 H new ATOM 126 N SER A 12 104.213 4.537 -4.095 1.00 0.00 N ATOM 127 CA SER A 12 103.332 4.493 -2.892 1.00 0.00 C ATOM 128 C SER A 12 102.258 5.580 -2.916 1.00 0.00 C ATOM 129 O SER A 12 102.489 6.692 -3.352 1.00 0.00 O ATOM 130 CB SER A 12 104.284 4.732 -1.723 1.00 0.00 C ATOM 131 OG SER A 12 103.578 4.577 -0.499 1.00 0.00 O ATOM 0 H SER A 12 104.369 5.461 -4.498 1.00 0.00 H new ATOM 0 HA SER A 12 102.793 3.547 -2.833 1.00 0.00 H new ATOM 0 HB2 SER A 12 105.116 4.029 -1.767 1.00 0.00 H new ATOM 0 HB3 SER A 12 104.710 5.733 -1.786 1.00 0.00 H new ATOM 0 HG SER A 12 102.628 4.429 -0.686 1.00 0.00 H new ATOM 136 N ASP A 13 101.095 5.268 -2.395 1.00 0.00 N ATOM 137 CA ASP A 13 100.009 6.283 -2.323 1.00 0.00 C ATOM 138 C ASP A 13 100.385 7.272 -1.226 1.00 0.00 C ATOM 139 O ASP A 13 101.079 6.913 -0.293 1.00 0.00 O ATOM 140 CB ASP A 13 98.742 5.506 -1.951 1.00 0.00 C ATOM 141 CG ASP A 13 98.373 4.538 -3.081 1.00 0.00 C ATOM 142 OD1 ASP A 13 98.841 4.739 -4.192 1.00 0.00 O ATOM 143 OD2 ASP A 13 97.622 3.614 -2.817 1.00 0.00 O ATOM 0 H ASP A 13 100.856 4.351 -2.017 1.00 0.00 H new ATOM 0 HA ASP A 13 99.857 6.832 -3.252 1.00 0.00 H new ATOM 0 HB2 ASP A 13 98.902 4.954 -1.025 1.00 0.00 H new ATOM 0 HB3 ASP A 13 97.920 6.199 -1.771 1.00 0.00 H new ATOM 147 N ALA A 14 99.968 8.505 -1.321 1.00 0.00 N ATOM 148 CA ALA A 14 100.360 9.483 -0.266 1.00 0.00 C ATOM 149 C ALA A 14 99.152 10.219 0.311 1.00 0.00 C ATOM 150 O ALA A 14 98.774 11.274 -0.161 1.00 0.00 O ATOM 151 CB ALA A 14 101.288 10.460 -0.981 1.00 0.00 C ATOM 0 H ALA A 14 99.382 8.874 -2.070 1.00 0.00 H new ATOM 0 HA ALA A 14 100.833 8.988 0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 14 101.628 11.220 -0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 14 102.149 9.921 -1.377 1.00 0.00 H new ATOM 0 HB3 ALA A 14 100.751 10.938 -1.800 1.00 0.00 H new ATOM 157 N GLN A 15 98.566 9.689 1.353 1.00 0.00 N ATOM 158 CA GLN A 15 97.411 10.383 1.986 1.00 0.00 C ATOM 159 C GLN A 15 97.944 11.485 2.903 1.00 0.00 C ATOM 160 O GLN A 15 98.625 11.215 3.877 1.00 0.00 O ATOM 161 CB GLN A 15 96.682 9.309 2.794 1.00 0.00 C ATOM 162 CG GLN A 15 96.112 8.254 1.843 1.00 0.00 C ATOM 163 CD GLN A 15 95.425 7.150 2.651 1.00 0.00 C ATOM 164 OE1 GLN A 15 95.675 6.996 3.830 1.00 0.00 O ATOM 165 NE2 GLN A 15 94.562 6.368 2.061 1.00 0.00 N ATOM 0 H GLN A 15 98.838 8.808 1.790 1.00 0.00 H new ATOM 0 HA GLN A 15 96.742 10.846 1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 15 97.368 8.843 3.502 1.00 0.00 H new ATOM 0 HB3 GLN A 15 95.879 9.760 3.377 1.00 0.00 H new ATOM 0 HG2 GLN A 15 95.399 8.714 1.158 1.00 0.00 H new ATOM 0 HG3 GLN A 15 96.910 7.830 1.234 1.00 0.00 H new ATOM 0 HE21 GLN A 15 94.351 6.496 1.071 1.00 0.00 H new ATOM 0 HE22 GLN A 15 94.099 5.629 2.590 1.00 0.00 H new ATOM 172 N GLY A 16 97.647 12.720 2.597 1.00 0.00 N ATOM 173 CA GLY A 16 98.144 13.844 3.444 1.00 0.00 C ATOM 174 C GLY A 16 99.378 14.486 2.795 1.00 0.00 C ATOM 175 O GLY A 16 99.786 15.568 3.172 1.00 0.00 O ATOM 0 H GLY A 16 97.081 13.000 1.796 1.00 0.00 H new ATOM 0 HA2 GLY A 16 97.359 14.590 3.569 1.00 0.00 H new ATOM 0 HA3 GLY A 16 98.396 13.477 4.439 1.00 0.00 H new ATOM 178 N GLN A 17 99.980 13.836 1.825 1.00 0.00 N ATOM 179 CA GLN A 17 101.186 14.424 1.163 1.00 0.00 C ATOM 180 C GLN A 17 100.805 15.058 -0.178 1.00 0.00 C ATOM 181 O GLN A 17 99.678 14.959 -0.625 1.00 0.00 O ATOM 182 CB GLN A 17 102.155 13.258 0.964 1.00 0.00 C ATOM 183 CG GLN A 17 102.640 12.761 2.328 1.00 0.00 C ATOM 184 CD GLN A 17 103.660 11.633 2.141 1.00 0.00 C ATOM 185 OE1 GLN A 17 103.752 11.048 1.082 1.00 0.00 O ATOM 186 NE2 GLN A 17 104.441 11.307 3.135 1.00 0.00 N ATOM 0 H GLN A 17 99.688 12.927 1.466 1.00 0.00 H new ATOM 0 HA GLN A 17 101.635 15.215 1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 17 101.662 12.449 0.424 1.00 0.00 H new ATOM 0 HB3 GLN A 17 103.003 13.575 0.358 1.00 0.00 H new ATOM 0 HG2 GLN A 17 103.091 13.582 2.884 1.00 0.00 H new ATOM 0 HG3 GLN A 17 101.794 12.404 2.916 1.00 0.00 H new ATOM 0 HE21 GLN A 17 104.365 11.798 4.026 1.00 0.00 H new ATOM 0 HE22 GLN A 17 105.128 10.561 3.021 1.00 0.00 H new ATOM 193 N MET A 18 101.730 15.740 -0.804 1.00 0.00 N ATOM 194 CA MET A 18 101.422 16.422 -2.102 1.00 0.00 C ATOM 195 C MET A 18 100.911 15.439 -3.164 1.00 0.00 C ATOM 196 O MET A 18 99.907 15.693 -3.803 1.00 0.00 O ATOM 197 CB MET A 18 102.749 17.037 -2.547 1.00 0.00 C ATOM 198 CG MET A 18 103.170 18.115 -1.548 1.00 0.00 C ATOM 199 SD MET A 18 104.629 18.982 -2.176 1.00 0.00 S ATOM 200 CE MET A 18 103.790 19.917 -3.480 1.00 0.00 C ATOM 0 H MET A 18 102.688 15.855 -0.473 1.00 0.00 H new ATOM 0 HA MET A 18 100.632 17.162 -1.977 1.00 0.00 H new ATOM 0 HB2 MET A 18 103.516 16.266 -2.611 1.00 0.00 H new ATOM 0 HB3 MET A 18 102.647 17.469 -3.543 1.00 0.00 H new ATOM 0 HG2 MET A 18 102.354 18.820 -1.392 1.00 0.00 H new ATOM 0 HG3 MET A 18 103.390 17.664 -0.581 1.00 0.00 H new ATOM 0 HE1 MET A 18 104.232 20.910 -3.558 1.00 0.00 H new ATOM 0 HE2 MET A 18 103.901 19.395 -4.431 1.00 0.00 H new ATOM 0 HE3 MET A 18 102.731 20.009 -3.238 1.00 0.00 H new ATOM 208 N ASN A 19 101.583 14.333 -3.381 1.00 0.00 N ATOM 209 CA ASN A 19 101.107 13.373 -4.427 1.00 0.00 C ATOM 210 C ASN A 19 101.787 12.007 -4.258 1.00 0.00 C ATOM 211 O ASN A 19 102.274 11.678 -3.196 1.00 0.00 O ATOM 212 CB ASN A 19 101.512 14.017 -5.755 1.00 0.00 C ATOM 213 CG ASN A 19 100.480 13.671 -6.831 1.00 0.00 C ATOM 214 OD1 ASN A 19 99.346 13.359 -6.526 1.00 0.00 O ATOM 215 ND2 ASN A 19 100.829 13.712 -8.089 1.00 0.00 N ATOM 0 H ASN A 19 102.430 14.056 -2.886 1.00 0.00 H new ATOM 0 HA ASN A 19 100.034 13.193 -4.365 1.00 0.00 H new ATOM 0 HB2 ASN A 19 101.583 15.099 -5.639 1.00 0.00 H new ATOM 0 HB3 ASN A 19 102.498 13.664 -6.056 1.00 0.00 H new ATOM 0 HD21 ASN A 19 100.150 13.482 -8.814 1.00 0.00 H new ATOM 0 HD22 ASN A 19 101.781 13.974 -8.346 1.00 0.00 H new ATOM 221 N LYS A 20 101.827 11.216 -5.303 1.00 0.00 N ATOM 222 CA LYS A 20 102.477 9.870 -5.216 1.00 0.00 C ATOM 223 C LYS A 20 104.000 10.011 -5.273 1.00 0.00 C ATOM 224 O LYS A 20 104.518 11.018 -5.718 1.00 0.00 O ATOM 225 CB LYS A 20 101.964 9.102 -6.436 1.00 0.00 C ATOM 226 CG LYS A 20 102.382 7.635 -6.330 1.00 0.00 C ATOM 227 CD LYS A 20 101.919 6.880 -7.577 1.00 0.00 C ATOM 228 CE LYS A 20 102.162 5.383 -7.388 1.00 0.00 C ATOM 229 NZ LYS A 20 100.866 4.842 -6.892 1.00 0.00 N ATOM 0 H LYS A 20 101.436 11.446 -6.216 1.00 0.00 H new ATOM 0 HA LYS A 20 102.241 9.359 -4.283 1.00 0.00 H new ATOM 0 HB2 LYS A 20 100.878 9.178 -6.496 1.00 0.00 H new ATOM 0 HB3 LYS A 20 102.366 9.540 -7.350 1.00 0.00 H new ATOM 0 HG2 LYS A 20 103.465 7.561 -6.228 1.00 0.00 H new ATOM 0 HG3 LYS A 20 101.947 7.186 -5.437 1.00 0.00 H new ATOM 0 HD2 LYS A 20 100.860 7.067 -7.756 1.00 0.00 H new ATOM 0 HD3 LYS A 20 102.459 7.239 -8.453 1.00 0.00 H new ATOM 0 HE2 LYS A 20 102.455 4.909 -8.325 1.00 0.00 H new ATOM 0 HE3 LYS A 20 102.965 5.201 -6.674 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 100.954 3.817 -6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 100.616 5.306 -5.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.122 5.024 -7.595 1.00 0.00 H new ATOM 239 N MET A 21 104.724 9.018 -4.818 1.00 0.00 N ATOM 240 CA MET A 21 106.217 9.116 -4.843 1.00 0.00 C ATOM 241 C MET A 21 106.839 7.901 -5.549 1.00 0.00 C ATOM 242 O MET A 21 106.196 6.888 -5.752 1.00 0.00 O ATOM 243 CB MET A 21 106.632 9.159 -3.371 1.00 0.00 C ATOM 244 CG MET A 21 106.029 10.399 -2.707 1.00 0.00 C ATOM 245 SD MET A 21 106.681 10.559 -1.026 1.00 0.00 S ATOM 246 CE MET A 21 108.355 11.073 -1.480 1.00 0.00 C ATOM 0 H MET A 21 104.350 8.151 -4.433 1.00 0.00 H new ATOM 0 HA MET A 21 106.558 9.993 -5.393 1.00 0.00 H new ATOM 0 HB2 MET A 21 106.292 8.258 -2.860 1.00 0.00 H new ATOM 0 HB3 MET A 21 107.719 9.182 -3.289 1.00 0.00 H new ATOM 0 HG2 MET A 21 106.269 11.289 -3.288 1.00 0.00 H new ATOM 0 HG3 MET A 21 104.942 10.319 -2.681 1.00 0.00 H new ATOM 0 HE1 MET A 21 108.763 11.716 -0.700 1.00 0.00 H new ATOM 0 HE2 MET A 21 108.988 10.193 -1.593 1.00 0.00 H new ATOM 0 HE3 MET A 21 108.325 11.621 -2.422 1.00 0.00 H new ATOM 254 N GLY A 22 108.091 8.009 -5.925 1.00 0.00 N ATOM 255 CA GLY A 22 108.775 6.874 -6.623 1.00 0.00 C ATOM 256 C GLY A 22 110.253 6.835 -6.221 1.00 0.00 C ATOM 257 O GLY A 22 110.951 7.826 -6.318 1.00 0.00 O ATOM 0 H GLY A 22 108.670 8.836 -5.778 1.00 0.00 H new ATOM 0 HA2 GLY A 22 108.293 5.932 -6.364 1.00 0.00 H new ATOM 0 HA3 GLY A 22 108.685 6.991 -7.703 1.00 0.00 H new ATOM 260 N GLY A 23 110.732 5.708 -5.744 1.00 0.00 N ATOM 261 CA GLY A 23 112.159 5.638 -5.314 1.00 0.00 C ATOM 262 C GLY A 23 112.766 4.280 -5.668 1.00 0.00 C ATOM 263 O GLY A 23 112.167 3.475 -6.352 1.00 0.00 O ATOM 0 H GLY A 23 110.200 4.845 -5.636 1.00 0.00 H new ATOM 0 HA2 GLY A 23 112.728 6.433 -5.796 1.00 0.00 H new ATOM 0 HA3 GLY A 23 112.228 5.803 -4.239 1.00 0.00 H new ATOM 266 N PHE A 24 113.962 4.027 -5.198 1.00 0.00 N ATOM 267 CA PHE A 24 114.634 2.727 -5.491 1.00 0.00 C ATOM 268 C PHE A 24 114.810 1.927 -4.200 1.00 0.00 C ATOM 269 O PHE A 24 115.009 2.485 -3.137 1.00 0.00 O ATOM 270 CB PHE A 24 115.997 3.107 -6.072 1.00 0.00 C ATOM 271 CG PHE A 24 115.804 3.847 -7.374 1.00 0.00 C ATOM 272 CD1 PHE A 24 115.749 3.138 -8.579 1.00 0.00 C ATOM 273 CD2 PHE A 24 115.683 5.242 -7.377 1.00 0.00 C ATOM 274 CE1 PHE A 24 115.572 3.822 -9.786 1.00 0.00 C ATOM 275 CE2 PHE A 24 115.506 5.927 -8.584 1.00 0.00 C ATOM 276 CZ PHE A 24 115.450 5.217 -9.790 1.00 0.00 C ATOM 0 H PHE A 24 114.504 4.670 -4.621 1.00 0.00 H new ATOM 0 HA PHE A 24 114.057 2.108 -6.177 1.00 0.00 H new ATOM 0 HB2 PHE A 24 116.544 3.731 -5.365 1.00 0.00 H new ATOM 0 HB3 PHE A 24 116.596 2.211 -6.236 1.00 0.00 H new ATOM 0 HD1 PHE A 24 115.843 2.062 -8.577 1.00 0.00 H new ATOM 0 HD2 PHE A 24 115.726 5.789 -6.447 1.00 0.00 H new ATOM 0 HE1 PHE A 24 115.529 3.274 -10.716 1.00 0.00 H new ATOM 0 HE2 PHE A 24 115.413 7.003 -8.586 1.00 0.00 H new ATOM 0 HZ PHE A 24 115.313 5.745 -10.722 1.00 0.00 H new ATOM 285 N ASN A 25 114.734 0.626 -4.281 1.00 0.00 N ATOM 286 CA ASN A 25 114.893 -0.208 -3.055 1.00 0.00 C ATOM 287 C ASN A 25 115.897 -1.340 -3.288 1.00 0.00 C ATOM 288 O ASN A 25 115.776 -2.103 -4.222 1.00 0.00 O ATOM 289 CB ASN A 25 113.499 -0.777 -2.782 1.00 0.00 C ATOM 290 CG ASN A 25 113.454 -1.386 -1.377 1.00 0.00 C ATOM 291 OD1 ASN A 25 114.462 -1.477 -0.703 1.00 0.00 O ATOM 292 ND2 ASN A 25 112.315 -1.809 -0.901 1.00 0.00 N ATOM 0 H ASN A 25 114.569 0.105 -5.142 1.00 0.00 H new ATOM 0 HA ASN A 25 115.274 0.374 -2.216 1.00 0.00 H new ATOM 0 HB2 ASN A 25 112.751 0.011 -2.871 1.00 0.00 H new ATOM 0 HB3 ASN A 25 113.254 -1.536 -3.525 1.00 0.00 H new ATOM 0 HD21 ASN A 25 112.272 -2.215 0.034 1.00 0.00 H new ATOM 0 HD22 ASN A 25 111.468 -1.734 -1.464 1.00 0.00 H new ATOM 298 N LEU A 26 116.873 -1.463 -2.428 1.00 0.00 N ATOM 299 CA LEU A 26 117.879 -2.561 -2.564 1.00 0.00 C ATOM 300 C LEU A 26 117.729 -3.463 -1.344 1.00 0.00 C ATOM 301 O LEU A 26 117.491 -2.974 -0.258 1.00 0.00 O ATOM 302 CB LEU A 26 119.240 -1.850 -2.571 1.00 0.00 C ATOM 303 CG LEU A 26 120.318 -2.747 -3.198 1.00 0.00 C ATOM 304 CD1 LEU A 26 120.478 -4.032 -2.382 1.00 0.00 C ATOM 305 CD2 LEU A 26 119.924 -3.101 -4.636 1.00 0.00 C ATOM 0 H LEU A 26 117.019 -0.845 -1.630 1.00 0.00 H new ATOM 0 HA LEU A 26 117.763 -3.172 -3.459 1.00 0.00 H new ATOM 0 HB2 LEU A 26 119.166 -0.917 -3.130 1.00 0.00 H new ATOM 0 HB3 LEU A 26 119.525 -1.589 -1.552 1.00 0.00 H new ATOM 0 HG LEU A 26 121.265 -2.208 -3.201 1.00 0.00 H new ATOM 0 HD11 LEU A 26 121.245 -4.659 -2.837 1.00 0.00 H new ATOM 0 HD12 LEU A 26 120.772 -3.782 -1.363 1.00 0.00 H new ATOM 0 HD13 LEU A 26 119.531 -4.572 -2.364 1.00 0.00 H new ATOM 0 HD21 LEU A 26 120.691 -3.737 -5.077 1.00 0.00 H new ATOM 0 HD22 LEU A 26 118.971 -3.631 -4.632 1.00 0.00 H new ATOM 0 HD23 LEU A 26 119.829 -2.187 -5.223 1.00 0.00 H new ATOM 316 N LYS A 27 117.846 -4.764 -1.476 1.00 0.00 N ATOM 317 CA LYS A 27 117.680 -5.632 -0.275 1.00 0.00 C ATOM 318 C LYS A 27 118.839 -6.629 -0.169 1.00 0.00 C ATOM 319 O LYS A 27 119.328 -7.133 -1.161 1.00 0.00 O ATOM 320 CB LYS A 27 116.370 -6.390 -0.513 1.00 0.00 C ATOM 321 CG LYS A 27 115.221 -5.400 -0.712 1.00 0.00 C ATOM 322 CD LYS A 27 113.897 -6.162 -0.779 1.00 0.00 C ATOM 323 CE LYS A 27 112.760 -5.186 -1.085 1.00 0.00 C ATOM 324 NZ LYS A 27 112.183 -4.841 0.245 1.00 0.00 N ATOM 0 H LYS A 27 118.046 -5.252 -2.349 1.00 0.00 H new ATOM 0 HA LYS A 27 117.667 -5.050 0.646 1.00 0.00 H new ATOM 0 HB2 LYS A 27 116.465 -7.030 -1.390 1.00 0.00 H new ATOM 0 HB3 LYS A 27 116.157 -7.041 0.335 1.00 0.00 H new ATOM 0 HG2 LYS A 27 115.199 -4.683 0.108 1.00 0.00 H new ATOM 0 HG3 LYS A 27 115.372 -4.831 -1.629 1.00 0.00 H new ATOM 0 HD2 LYS A 27 113.947 -6.931 -1.549 1.00 0.00 H new ATOM 0 HD3 LYS A 27 113.709 -6.670 0.167 1.00 0.00 H new ATOM 0 HE2 LYS A 27 113.129 -4.298 -1.598 1.00 0.00 H new ATOM 0 HE3 LYS A 27 112.012 -5.642 -1.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 111.579 -3.999 0.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 111.614 -5.639 0.594 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 112.952 -4.644 0.917 1.00 0.00 H new ATOM 334 N TYR A 28 119.256 -6.938 1.029 1.00 0.00 N ATOM 335 CA TYR A 28 120.356 -7.928 1.214 1.00 0.00 C ATOM 336 C TYR A 28 119.847 -9.061 2.104 1.00 0.00 C ATOM 337 O TYR A 28 119.365 -8.823 3.194 1.00 0.00 O ATOM 338 CB TYR A 28 121.481 -7.158 1.908 1.00 0.00 C ATOM 339 CG TYR A 28 122.677 -8.063 2.081 1.00 0.00 C ATOM 340 CD1 TYR A 28 123.596 -8.214 1.036 1.00 0.00 C ATOM 341 CD2 TYR A 28 122.865 -8.752 3.284 1.00 0.00 C ATOM 342 CE1 TYR A 28 124.705 -9.054 1.195 1.00 0.00 C ATOM 343 CE2 TYR A 28 123.974 -9.591 3.444 1.00 0.00 C ATOM 344 CZ TYR A 28 124.894 -9.743 2.399 1.00 0.00 C ATOM 345 OH TYR A 28 125.986 -10.570 2.557 1.00 0.00 O ATOM 0 H TYR A 28 118.880 -6.545 1.892 1.00 0.00 H new ATOM 0 HA TYR A 28 120.700 -8.365 0.277 1.00 0.00 H new ATOM 0 HB2 TYR A 28 121.755 -6.283 1.318 1.00 0.00 H new ATOM 0 HB3 TYR A 28 121.143 -6.795 2.878 1.00 0.00 H new ATOM 0 HD1 TYR A 28 123.450 -7.683 0.107 1.00 0.00 H new ATOM 0 HD2 TYR A 28 122.155 -8.637 4.089 1.00 0.00 H new ATOM 0 HE1 TYR A 28 125.414 -9.170 0.389 1.00 0.00 H new ATOM 0 HE2 TYR A 28 124.120 -10.121 4.373 1.00 0.00 H new ATOM 0 HH TYR A 28 125.967 -10.970 3.451 1.00 0.00 H new ATOM 354 N ARG A 29 119.926 -10.286 1.652 1.00 0.00 N ATOM 355 CA ARG A 29 119.412 -11.410 2.490 1.00 0.00 C ATOM 356 C ARG A 29 120.492 -12.456 2.768 1.00 0.00 C ATOM 357 O ARG A 29 121.309 -12.777 1.923 1.00 0.00 O ATOM 358 CB ARG A 29 118.273 -12.030 1.679 1.00 0.00 C ATOM 359 CG ARG A 29 117.596 -13.125 2.507 1.00 0.00 C ATOM 360 CD ARG A 29 116.481 -13.775 1.685 1.00 0.00 C ATOM 361 NE ARG A 29 115.795 -14.697 2.634 1.00 0.00 N ATOM 362 CZ ARG A 29 115.200 -15.771 2.190 1.00 0.00 C ATOM 363 NH1 ARG A 29 114.506 -15.726 1.087 1.00 0.00 N ATOM 364 NH2 ARG A 29 115.302 -16.893 2.851 1.00 0.00 N ATOM 0 H ARG A 29 120.319 -10.555 0.750 1.00 0.00 H new ATOM 0 HA ARG A 29 119.084 -11.049 3.465 1.00 0.00 H new ATOM 0 HB2 ARG A 29 117.547 -11.264 1.406 1.00 0.00 H new ATOM 0 HB3 ARG A 29 118.659 -12.448 0.750 1.00 0.00 H new ATOM 0 HG2 ARG A 29 118.328 -13.876 2.803 1.00 0.00 H new ATOM 0 HG3 ARG A 29 117.186 -12.701 3.423 1.00 0.00 H new ATOM 0 HD2 ARG A 29 115.792 -13.027 1.292 1.00 0.00 H new ATOM 0 HD3 ARG A 29 116.885 -14.317 0.830 1.00 0.00 H new ATOM 0 HE ARG A 29 115.790 -14.489 3.632 1.00 0.00 H new ATOM 0 HH11 ARG A 29 114.427 -14.851 0.569 1.00 0.00 H new ATOM 0 HH12 ARG A 29 114.042 -16.566 0.742 1.00 0.00 H new ATOM 0 HH21 ARG A 29 115.846 -16.929 3.713 1.00 0.00 H new ATOM 0 HH22 ARG A 29 114.838 -17.733 2.505 1.00 0.00 H new ATOM 375 N TYR A 30 120.470 -12.994 3.958 1.00 0.00 N ATOM 376 CA TYR A 30 121.456 -14.041 4.342 1.00 0.00 C ATOM 377 C TYR A 30 120.719 -15.363 4.568 1.00 0.00 C ATOM 378 O TYR A 30 119.663 -15.397 5.175 1.00 0.00 O ATOM 379 CB TYR A 30 122.083 -13.540 5.644 1.00 0.00 C ATOM 380 CG TYR A 30 123.190 -14.476 6.064 1.00 0.00 C ATOM 381 CD1 TYR A 30 124.478 -14.317 5.537 1.00 0.00 C ATOM 382 CD2 TYR A 30 122.932 -15.501 6.982 1.00 0.00 C ATOM 383 CE1 TYR A 30 125.505 -15.184 5.926 1.00 0.00 C ATOM 384 CE2 TYR A 30 123.961 -16.368 7.371 1.00 0.00 C ATOM 385 CZ TYR A 30 125.247 -16.209 6.843 1.00 0.00 C ATOM 386 OH TYR A 30 126.261 -17.063 7.227 1.00 0.00 O ATOM 0 H TYR A 30 119.802 -12.748 4.688 1.00 0.00 H new ATOM 0 HA TYR A 30 122.213 -14.213 3.577 1.00 0.00 H new ATOM 0 HB2 TYR A 30 122.477 -12.533 5.506 1.00 0.00 H new ATOM 0 HB3 TYR A 30 121.326 -13.482 6.426 1.00 0.00 H new ATOM 0 HD1 TYR A 30 124.678 -13.525 4.830 1.00 0.00 H new ATOM 0 HD2 TYR A 30 121.940 -15.623 7.390 1.00 0.00 H new ATOM 0 HE1 TYR A 30 126.498 -15.062 5.518 1.00 0.00 H new ATOM 0 HE2 TYR A 30 123.762 -17.159 8.079 1.00 0.00 H new ATOM 0 HH TYR A 30 125.913 -17.716 7.870 1.00 0.00 H new ATOM 395 N GLU A 31 121.264 -16.450 4.088 1.00 0.00 N ATOM 396 CA GLU A 31 120.597 -17.774 4.272 1.00 0.00 C ATOM 397 C GLU A 31 121.644 -18.832 4.619 1.00 0.00 C ATOM 398 O GLU A 31 122.792 -18.721 4.232 1.00 0.00 O ATOM 399 CB GLU A 31 119.959 -18.091 2.917 1.00 0.00 C ATOM 400 CG GLU A 31 118.968 -16.986 2.536 1.00 0.00 C ATOM 401 CD GLU A 31 118.296 -17.327 1.199 1.00 0.00 C ATOM 402 OE1 GLU A 31 118.690 -18.307 0.584 1.00 0.00 O ATOM 403 OE2 GLU A 31 117.402 -16.597 0.810 1.00 0.00 O ATOM 0 H GLU A 31 122.145 -16.478 3.575 1.00 0.00 H new ATOM 0 HA GLU A 31 119.861 -17.761 5.076 1.00 0.00 H new ATOM 0 HB2 GLU A 31 120.732 -18.178 2.153 1.00 0.00 H new ATOM 0 HB3 GLU A 31 119.446 -19.052 2.963 1.00 0.00 H new ATOM 0 HG2 GLU A 31 118.214 -16.877 3.315 1.00 0.00 H new ATOM 0 HG3 GLU A 31 119.487 -16.030 2.459 1.00 0.00 H new ATOM 408 N GLU A 32 121.270 -19.861 5.337 1.00 0.00 N ATOM 409 CA GLU A 32 122.258 -20.919 5.694 1.00 0.00 C ATOM 410 C GLU A 32 122.161 -22.080 4.701 1.00 0.00 C ATOM 411 O GLU A 32 121.342 -22.075 3.802 1.00 0.00 O ATOM 412 CB GLU A 32 121.862 -21.379 7.098 1.00 0.00 C ATOM 413 CG GLU A 32 121.958 -20.199 8.071 1.00 0.00 C ATOM 414 CD GLU A 32 121.639 -20.666 9.496 1.00 0.00 C ATOM 415 OE1 GLU A 32 121.166 -21.782 9.649 1.00 0.00 O ATOM 416 OE2 GLU A 32 121.870 -19.895 10.413 1.00 0.00 O ATOM 0 H GLU A 32 120.325 -20.012 5.690 1.00 0.00 H new ATOM 0 HA GLU A 32 123.285 -20.555 5.663 1.00 0.00 H new ATOM 0 HB2 GLU A 32 120.846 -21.775 7.089 1.00 0.00 H new ATOM 0 HB3 GLU A 32 122.516 -22.187 7.425 1.00 0.00 H new ATOM 0 HG2 GLU A 32 122.959 -19.769 8.036 1.00 0.00 H new ATOM 0 HG3 GLU A 32 121.263 -19.414 7.773 1.00 0.00 H new ATOM 455 N PRO A 36 117.052 -22.309 6.715 1.00 0.00 N ATOM 456 CA PRO A 36 116.074 -22.261 7.819 1.00 0.00 C ATOM 457 C PRO A 36 115.780 -20.802 8.218 1.00 0.00 C ATOM 458 O PRO A 36 114.685 -20.305 8.047 1.00 0.00 O ATOM 459 CB PRO A 36 116.806 -22.997 8.938 1.00 0.00 C ATOM 460 CG PRO A 36 118.277 -22.860 8.630 1.00 0.00 C ATOM 461 CD PRO A 36 118.417 -22.268 7.243 1.00 0.00 C ATOM 0 HA PRO A 36 115.108 -22.700 7.571 1.00 0.00 H new ATOM 0 HB2 PRO A 36 116.569 -22.565 9.910 1.00 0.00 H new ATOM 0 HB3 PRO A 36 116.511 -24.046 8.974 1.00 0.00 H new ATOM 0 HG2 PRO A 36 118.762 -22.220 9.367 1.00 0.00 H new ATOM 0 HG3 PRO A 36 118.768 -23.832 8.680 1.00 0.00 H new ATOM 0 HD2 PRO A 36 118.803 -21.249 7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 36 119.104 -22.848 6.626 1.00 0.00 H new ATOM 466 N LEU A 37 116.763 -20.134 8.760 1.00 0.00 N ATOM 467 CA LEU A 37 116.571 -18.718 9.192 1.00 0.00 C ATOM 468 C LEU A 37 117.014 -17.746 8.093 1.00 0.00 C ATOM 469 O LEU A 37 118.158 -17.740 7.682 1.00 0.00 O ATOM 470 CB LEU A 37 117.454 -18.562 10.430 1.00 0.00 C ATOM 471 CG LEU A 37 117.235 -17.178 11.042 1.00 0.00 C ATOM 472 CD1 LEU A 37 115.873 -17.135 11.737 1.00 0.00 C ATOM 473 CD2 LEU A 37 118.337 -16.893 12.066 1.00 0.00 C ATOM 0 H LEU A 37 117.697 -20.510 8.923 1.00 0.00 H new ATOM 0 HA LEU A 37 115.524 -18.495 9.399 1.00 0.00 H new ATOM 0 HB2 LEU A 37 117.215 -19.336 11.160 1.00 0.00 H new ATOM 0 HB3 LEU A 37 118.502 -18.690 10.160 1.00 0.00 H new ATOM 0 HG LEU A 37 117.265 -16.425 10.254 1.00 0.00 H new ATOM 0 HD11 LEU A 37 115.718 -16.148 12.173 1.00 0.00 H new ATOM 0 HD12 LEU A 37 115.087 -17.338 11.010 1.00 0.00 H new ATOM 0 HD13 LEU A 37 115.842 -17.888 12.524 1.00 0.00 H new ATOM 0 HD21 LEU A 37 118.182 -15.906 12.503 1.00 0.00 H new ATOM 0 HD22 LEU A 37 118.307 -17.647 12.853 1.00 0.00 H new ATOM 0 HD23 LEU A 37 119.309 -16.922 11.573 1.00 0.00 H new ATOM 484 N GLY A 38 116.114 -16.919 7.622 1.00 0.00 N ATOM 485 CA GLY A 38 116.479 -15.941 6.558 1.00 0.00 C ATOM 486 C GLY A 38 116.181 -14.518 7.042 1.00 0.00 C ATOM 487 O GLY A 38 115.128 -14.245 7.582 1.00 0.00 O ATOM 0 H GLY A 38 115.142 -16.881 7.930 1.00 0.00 H new ATOM 0 HA2 GLY A 38 117.536 -16.037 6.309 1.00 0.00 H new ATOM 0 HA3 GLY A 38 115.917 -16.152 5.648 1.00 0.00 H new ATOM 490 N VAL A 39 117.099 -13.608 6.842 1.00 0.00 N ATOM 491 CA VAL A 39 116.871 -12.194 7.276 1.00 0.00 C ATOM 492 C VAL A 39 117.209 -11.255 6.116 1.00 0.00 C ATOM 493 O VAL A 39 118.215 -11.430 5.457 1.00 0.00 O ATOM 494 CB VAL A 39 117.828 -11.969 8.449 1.00 0.00 C ATOM 495 CG1 VAL A 39 117.636 -10.555 9.003 1.00 0.00 C ATOM 496 CG2 VAL A 39 117.538 -12.991 9.553 1.00 0.00 C ATOM 0 H VAL A 39 118.000 -13.782 6.396 1.00 0.00 H new ATOM 0 HA VAL A 39 115.838 -12.003 7.567 1.00 0.00 H new ATOM 0 HB VAL A 39 118.855 -12.089 8.104 1.00 0.00 H new ATOM 0 HG11 VAL A 39 118.318 -10.396 9.838 1.00 0.00 H new ATOM 0 HG12 VAL A 39 117.845 -9.826 8.220 1.00 0.00 H new ATOM 0 HG13 VAL A 39 116.608 -10.435 9.346 1.00 0.00 H new ATOM 0 HG21 VAL A 39 118.221 -12.829 10.387 1.00 0.00 H new ATOM 0 HG22 VAL A 39 116.510 -12.873 9.897 1.00 0.00 H new ATOM 0 HG23 VAL A 39 117.676 -13.999 9.161 1.00 0.00 H new ATOM 506 N ILE A 40 116.387 -10.269 5.841 1.00 0.00 N ATOM 507 CA ILE A 40 116.687 -9.350 4.701 1.00 0.00 C ATOM 508 C ILE A 40 116.836 -7.903 5.188 1.00 0.00 C ATOM 509 O ILE A 40 116.091 -7.443 6.029 1.00 0.00 O ATOM 510 CB ILE A 40 115.472 -9.459 3.775 1.00 0.00 C ATOM 511 CG1 ILE A 40 115.261 -10.915 3.355 1.00 0.00 C ATOM 512 CG2 ILE A 40 115.702 -8.606 2.525 1.00 0.00 C ATOM 513 CD1 ILE A 40 113.922 -11.048 2.627 1.00 0.00 C ATOM 0 H ILE A 40 115.529 -10.064 6.353 1.00 0.00 H new ATOM 0 HA ILE A 40 117.621 -9.618 4.206 1.00 0.00 H new ATOM 0 HB ILE A 40 114.590 -9.105 4.308 1.00 0.00 H new ATOM 0 HG12 ILE A 40 116.074 -11.238 2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 40 115.276 -11.563 4.231 1.00 0.00 H new ATOM 0 HG21 ILE A 40 114.837 -8.684 1.867 1.00 0.00 H new ATOM 0 HG22 ILE A 40 115.844 -7.565 2.816 1.00 0.00 H new ATOM 0 HG23 ILE A 40 116.590 -8.960 2.001 1.00 0.00 H new ATOM 0 HD11 ILE A 40 113.772 -12.085 2.328 1.00 0.00 H new ATOM 0 HD12 ILE A 40 113.114 -10.742 3.292 1.00 0.00 H new ATOM 0 HD13 ILE A 40 113.924 -10.412 1.742 1.00 0.00 H new ATOM 524 N GLY A 41 117.777 -7.179 4.638 1.00 0.00 N ATOM 525 CA GLY A 41 117.966 -5.748 5.028 1.00 0.00 C ATOM 526 C GLY A 41 117.689 -4.887 3.793 1.00 0.00 C ATOM 527 O GLY A 41 118.259 -5.112 2.743 1.00 0.00 O ATOM 0 H GLY A 41 118.428 -7.520 3.930 1.00 0.00 H new ATOM 0 HA2 GLY A 41 117.290 -5.481 5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 41 118.980 -5.581 5.390 1.00 0.00 H new ATOM 530 N SER A 42 116.800 -3.928 3.887 1.00 0.00 N ATOM 531 CA SER A 42 116.482 -3.101 2.681 1.00 0.00 C ATOM 532 C SER A 42 116.444 -1.600 2.990 1.00 0.00 C ATOM 533 O SER A 42 116.003 -1.179 4.041 1.00 0.00 O ATOM 534 CB SER A 42 115.100 -3.579 2.251 1.00 0.00 C ATOM 535 OG SER A 42 114.155 -3.252 3.260 1.00 0.00 O ATOM 0 H SER A 42 116.287 -3.684 4.734 1.00 0.00 H new ATOM 0 HA SER A 42 117.245 -3.221 1.912 1.00 0.00 H new ATOM 0 HB2 SER A 42 114.818 -3.112 1.308 1.00 0.00 H new ATOM 0 HB3 SER A 42 115.111 -4.656 2.082 1.00 0.00 H new ATOM 0 HG SER A 42 114.439 -3.643 4.113 1.00 0.00 H new ATOM 540 N PHE A 43 116.874 -0.794 2.050 1.00 0.00 N ATOM 541 CA PHE A 43 116.839 0.687 2.237 1.00 0.00 C ATOM 542 C PHE A 43 116.077 1.307 1.062 1.00 0.00 C ATOM 543 O PHE A 43 116.219 0.870 -0.064 1.00 0.00 O ATOM 544 CB PHE A 43 118.303 1.131 2.229 1.00 0.00 C ATOM 545 CG PHE A 43 119.028 0.503 3.396 1.00 0.00 C ATOM 546 CD1 PHE A 43 119.006 1.125 4.649 1.00 0.00 C ATOM 547 CD2 PHE A 43 119.724 -0.700 3.223 1.00 0.00 C ATOM 548 CE1 PHE A 43 119.678 0.545 5.731 1.00 0.00 C ATOM 549 CE2 PHE A 43 120.397 -1.279 4.305 1.00 0.00 C ATOM 550 CZ PHE A 43 120.373 -0.658 5.559 1.00 0.00 C ATOM 0 H PHE A 43 117.251 -1.103 1.154 1.00 0.00 H new ATOM 0 HA PHE A 43 116.343 0.992 3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 43 118.778 0.838 1.292 1.00 0.00 H new ATOM 0 HB3 PHE A 43 118.365 2.217 2.291 1.00 0.00 H new ATOM 0 HD1 PHE A 43 118.470 2.053 4.781 1.00 0.00 H new ATOM 0 HD2 PHE A 43 119.741 -1.180 2.256 1.00 0.00 H new ATOM 0 HE1 PHE A 43 119.660 1.025 6.698 1.00 0.00 H new ATOM 0 HE2 PHE A 43 120.935 -2.206 4.172 1.00 0.00 H new ATOM 0 HZ PHE A 43 120.891 -1.107 6.394 1.00 0.00 H new ATOM 559 N THR A 44 115.261 2.304 1.299 1.00 0.00 N ATOM 560 CA THR A 44 114.498 2.908 0.163 1.00 0.00 C ATOM 561 C THR A 44 114.587 4.433 0.180 1.00 0.00 C ATOM 562 O THR A 44 114.539 5.054 1.224 1.00 0.00 O ATOM 563 CB THR A 44 113.052 2.456 0.380 1.00 0.00 C ATOM 564 OG1 THR A 44 113.009 1.039 0.469 1.00 0.00 O ATOM 565 CG2 THR A 44 112.187 2.924 -0.792 1.00 0.00 C ATOM 0 H THR A 44 115.091 2.721 2.214 1.00 0.00 H new ATOM 0 HA THR A 44 114.896 2.592 -0.801 1.00 0.00 H new ATOM 0 HB THR A 44 112.670 2.889 1.304 1.00 0.00 H new ATOM 0 HG1 THR A 44 112.084 0.748 0.609 1.00 0.00 H new ATOM 0 HG21 THR A 44 111.158 2.601 -0.636 1.00 0.00 H new ATOM 0 HG22 THR A 44 112.220 4.012 -0.857 1.00 0.00 H new ATOM 0 HG23 THR A 44 112.566 2.493 -1.719 1.00 0.00 H new ATOM 573 N TYR A 45 114.677 5.044 -0.974 1.00 0.00 N ATOM 574 CA TYR A 45 114.723 6.529 -1.044 1.00 0.00 C ATOM 575 C TYR A 45 113.715 6.980 -2.101 1.00 0.00 C ATOM 576 O TYR A 45 113.903 6.751 -3.279 1.00 0.00 O ATOM 577 CB TYR A 45 116.153 6.867 -1.472 1.00 0.00 C ATOM 578 CG TYR A 45 116.316 8.366 -1.555 1.00 0.00 C ATOM 579 CD1 TYR A 45 116.629 9.101 -0.406 1.00 0.00 C ATOM 580 CD2 TYR A 45 116.157 9.019 -2.783 1.00 0.00 C ATOM 581 CE1 TYR A 45 116.782 10.491 -0.485 1.00 0.00 C ATOM 582 CE2 TYR A 45 116.310 10.409 -2.862 1.00 0.00 C ATOM 583 CZ TYR A 45 116.622 11.145 -1.713 1.00 0.00 C ATOM 584 OH TYR A 45 116.773 12.514 -1.790 1.00 0.00 O ATOM 0 H TYR A 45 114.721 4.570 -1.876 1.00 0.00 H new ATOM 0 HA TYR A 45 114.475 7.020 -0.103 1.00 0.00 H new ATOM 0 HB2 TYR A 45 116.865 6.453 -0.758 1.00 0.00 H new ATOM 0 HB3 TYR A 45 116.371 6.413 -2.439 1.00 0.00 H new ATOM 0 HD1 TYR A 45 116.753 8.597 0.541 1.00 0.00 H new ATOM 0 HD2 TYR A 45 115.916 8.451 -3.669 1.00 0.00 H new ATOM 0 HE1 TYR A 45 117.023 11.059 0.401 1.00 0.00 H new ATOM 0 HE2 TYR A 45 116.187 10.913 -3.809 1.00 0.00 H new ATOM 0 HH TYR A 45 116.630 12.807 -2.714 1.00 0.00 H new ATOM 593 N THR A 46 112.637 7.590 -1.689 1.00 0.00 N ATOM 594 CA THR A 46 111.597 8.020 -2.673 1.00 0.00 C ATOM 595 C THR A 46 111.359 9.529 -2.585 1.00 0.00 C ATOM 596 O THR A 46 111.435 10.116 -1.523 1.00 0.00 O ATOM 597 CB THR A 46 110.345 7.247 -2.251 1.00 0.00 C ATOM 598 OG1 THR A 46 110.690 5.889 -2.016 1.00 0.00 O ATOM 599 CG2 THR A 46 109.296 7.314 -3.359 1.00 0.00 C ATOM 0 H THR A 46 112.430 7.810 -0.715 1.00 0.00 H new ATOM 0 HA THR A 46 111.886 7.819 -3.705 1.00 0.00 H new ATOM 0 HB THR A 46 109.938 7.690 -1.342 1.00 0.00 H new ATOM 0 HG1 THR A 46 109.891 5.391 -1.744 1.00 0.00 H new ATOM 0 HG21 THR A 46 108.407 6.762 -3.053 1.00 0.00 H new ATOM 0 HG22 THR A 46 109.030 8.354 -3.546 1.00 0.00 H new ATOM 0 HG23 THR A 46 109.701 6.873 -4.270 1.00 0.00 H new ATOM 607 N GLU A 47 111.075 10.164 -3.694 1.00 0.00 N ATOM 608 CA GLU A 47 110.834 11.637 -3.675 1.00 0.00 C ATOM 609 C GLU A 47 109.802 12.020 -4.741 1.00 0.00 C ATOM 610 O GLU A 47 109.466 11.231 -5.604 1.00 0.00 O ATOM 611 CB GLU A 47 112.198 12.266 -3.981 1.00 0.00 C ATOM 612 CG GLU A 47 112.680 11.816 -5.366 1.00 0.00 C ATOM 613 CD GLU A 47 114.099 12.337 -5.624 1.00 0.00 C ATOM 614 OE1 GLU A 47 114.583 13.123 -4.825 1.00 0.00 O ATOM 615 OE2 GLU A 47 114.679 11.939 -6.621 1.00 0.00 O ATOM 0 H GLU A 47 111.000 9.725 -4.612 1.00 0.00 H new ATOM 0 HA GLU A 47 110.437 11.980 -2.720 1.00 0.00 H new ATOM 0 HB2 GLU A 47 112.123 13.353 -3.948 1.00 0.00 H new ATOM 0 HB3 GLU A 47 112.922 11.973 -3.221 1.00 0.00 H new ATOM 0 HG2 GLU A 47 112.667 10.728 -5.429 1.00 0.00 H new ATOM 0 HG3 GLU A 47 112.002 12.188 -6.134 1.00 0.00 H new ATOM 620 N LYS A 48 109.300 13.227 -4.687 1.00 0.00 N ATOM 621 CA LYS A 48 108.294 13.668 -5.698 1.00 0.00 C ATOM 622 C LYS A 48 108.994 14.395 -6.850 1.00 0.00 C ATOM 623 O LYS A 48 109.922 15.152 -6.640 1.00 0.00 O ATOM 624 CB LYS A 48 107.371 14.627 -4.945 1.00 0.00 C ATOM 625 CG LYS A 48 106.656 13.875 -3.821 1.00 0.00 C ATOM 626 CD LYS A 48 105.656 14.811 -3.137 1.00 0.00 C ATOM 627 CE LYS A 48 105.047 14.109 -1.922 1.00 0.00 C ATOM 628 NZ LYS A 48 105.955 14.444 -0.790 1.00 0.00 N ATOM 0 H LYS A 48 109.544 13.926 -3.986 1.00 0.00 H new ATOM 0 HA LYS A 48 107.747 12.831 -6.131 1.00 0.00 H new ATOM 0 HB2 LYS A 48 107.948 15.455 -4.533 1.00 0.00 H new ATOM 0 HB3 LYS A 48 106.641 15.058 -5.630 1.00 0.00 H new ATOM 0 HG2 LYS A 48 106.139 13.004 -4.223 1.00 0.00 H new ATOM 0 HG3 LYS A 48 107.382 13.508 -3.095 1.00 0.00 H new ATOM 0 HD2 LYS A 48 106.155 15.729 -2.827 1.00 0.00 H new ATOM 0 HD3 LYS A 48 104.871 15.095 -3.837 1.00 0.00 H new ATOM 0 HE2 LYS A 48 104.032 14.459 -1.731 1.00 0.00 H new ATOM 0 HE3 LYS A 48 104.989 13.032 -2.076 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 105.603 13.998 0.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 106.912 14.093 -0.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 105.985 15.476 -0.663 1.00 0.00 H new ATOM 794 N GLN A 61 112.224 14.493 0.796 1.00 0.00 N ATOM 795 CA GLN A 61 112.843 13.155 0.548 1.00 0.00 C ATOM 796 C GLN A 61 112.165 12.089 1.412 1.00 0.00 C ATOM 797 O GLN A 61 111.567 12.395 2.427 1.00 0.00 O ATOM 798 CB GLN A 61 114.309 13.323 0.950 1.00 0.00 C ATOM 799 CG GLN A 61 114.971 14.359 0.038 1.00 0.00 C ATOM 800 CD GLN A 61 116.416 14.587 0.486 1.00 0.00 C ATOM 801 OE1 GLN A 61 116.756 14.352 1.628 1.00 0.00 O ATOM 802 NE2 GLN A 61 117.288 15.040 -0.373 1.00 0.00 N ATOM 0 HA GLN A 61 112.737 12.833 -0.488 1.00 0.00 H new ATOM 0 HB2 GLN A 61 114.378 13.641 1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 61 114.830 12.369 0.873 1.00 0.00 H new ATOM 0 HG2 GLN A 61 114.950 14.015 -0.996 1.00 0.00 H new ATOM 0 HG3 GLN A 61 114.416 15.297 0.073 1.00 0.00 H new ATOM 0 HE21 GLN A 61 117.004 15.238 -1.332 1.00 0.00 H new ATOM 0 HE22 GLN A 61 118.254 15.196 -0.085 1.00 0.00 H new ATOM 809 N TYR A 62 112.253 10.842 1.022 1.00 0.00 N ATOM 810 CA TYR A 62 111.609 9.766 1.833 1.00 0.00 C ATOM 811 C TYR A 62 112.628 8.685 2.213 1.00 0.00 C ATOM 812 O TYR A 62 113.185 8.013 1.368 1.00 0.00 O ATOM 813 CB TYR A 62 110.521 9.183 0.930 1.00 0.00 C ATOM 814 CG TYR A 62 109.699 8.187 1.710 1.00 0.00 C ATOM 815 CD1 TYR A 62 108.627 8.627 2.498 1.00 0.00 C ATOM 816 CD2 TYR A 62 110.006 6.823 1.647 1.00 0.00 C ATOM 817 CE1 TYR A 62 107.864 7.703 3.220 1.00 0.00 C ATOM 818 CE2 TYR A 62 109.242 5.898 2.370 1.00 0.00 C ATOM 819 CZ TYR A 62 108.170 6.339 3.157 1.00 0.00 C ATOM 820 OH TYR A 62 107.418 5.428 3.869 1.00 0.00 O ATOM 0 H TYR A 62 112.739 10.525 0.183 1.00 0.00 H new ATOM 0 HA TYR A 62 111.203 10.152 2.768 1.00 0.00 H new ATOM 0 HB2 TYR A 62 109.882 9.981 0.551 1.00 0.00 H new ATOM 0 HB3 TYR A 62 110.973 8.699 0.064 1.00 0.00 H new ATOM 0 HD1 TYR A 62 108.390 9.679 2.548 1.00 0.00 H new ATOM 0 HD2 TYR A 62 110.833 6.483 1.040 1.00 0.00 H new ATOM 0 HE1 TYR A 62 107.038 8.043 3.827 1.00 0.00 H new ATOM 0 HE2 TYR A 62 109.479 4.846 2.321 1.00 0.00 H new ATOM 0 HH TYR A 62 107.764 4.525 3.713 1.00 0.00 H new ATOM 829 N TYR A 63 112.858 8.517 3.487 1.00 0.00 N ATOM 830 CA TYR A 63 113.827 7.479 3.946 1.00 0.00 C ATOM 831 C TYR A 63 113.065 6.347 4.624 1.00 0.00 C ATOM 832 O TYR A 63 112.128 6.585 5.361 1.00 0.00 O ATOM 833 CB TYR A 63 114.751 8.186 4.939 1.00 0.00 C ATOM 834 CG TYR A 63 115.550 9.245 4.220 1.00 0.00 C ATOM 835 CD1 TYR A 63 116.686 8.884 3.486 1.00 0.00 C ATOM 836 CD2 TYR A 63 115.159 10.587 4.288 1.00 0.00 C ATOM 837 CE1 TYR A 63 117.430 9.863 2.819 1.00 0.00 C ATOM 838 CE2 TYR A 63 115.904 11.568 3.621 1.00 0.00 C ATOM 839 CZ TYR A 63 117.040 11.206 2.888 1.00 0.00 C ATOM 840 OH TYR A 63 117.776 12.171 2.231 1.00 0.00 O ATOM 0 H TYR A 63 112.416 9.055 4.232 1.00 0.00 H new ATOM 0 HA TYR A 63 114.397 7.046 3.124 1.00 0.00 H new ATOM 0 HB2 TYR A 63 114.164 8.639 5.738 1.00 0.00 H new ATOM 0 HB3 TYR A 63 115.421 7.464 5.405 1.00 0.00 H new ATOM 0 HD1 TYR A 63 116.988 7.848 3.435 1.00 0.00 H new ATOM 0 HD2 TYR A 63 114.283 10.866 4.855 1.00 0.00 H new ATOM 0 HE1 TYR A 63 118.305 9.583 2.251 1.00 0.00 H new ATOM 0 HE2 TYR A 63 115.602 12.604 3.672 1.00 0.00 H new ATOM 0 HH TYR A 63 117.334 13.041 2.327 1.00 0.00 H new ATOM 849 N GLY A 64 113.444 5.118 4.383 1.00 0.00 N ATOM 850 CA GLY A 64 112.710 3.997 5.024 1.00 0.00 C ATOM 851 C GLY A 64 113.648 2.818 5.262 1.00 0.00 C ATOM 852 O GLY A 64 114.282 2.315 4.354 1.00 0.00 O ATOM 0 H GLY A 64 114.220 4.849 3.778 1.00 0.00 H new ATOM 0 HA2 GLY A 64 112.283 4.327 5.971 1.00 0.00 H new ATOM 0 HA3 GLY A 64 111.879 3.687 4.390 1.00 0.00 H new ATOM 855 N ILE A 65 113.708 2.357 6.479 1.00 0.00 N ATOM 856 CA ILE A 65 114.569 1.186 6.792 1.00 0.00 C ATOM 857 C ILE A 65 113.650 0.003 7.059 1.00 0.00 C ATOM 858 O ILE A 65 112.633 0.148 7.708 1.00 0.00 O ATOM 859 CB ILE A 65 115.377 1.573 8.038 1.00 0.00 C ATOM 860 CG1 ILE A 65 116.315 0.422 8.410 1.00 0.00 C ATOM 861 CG2 ILE A 65 114.442 1.861 9.215 1.00 0.00 C ATOM 862 CD1 ILE A 65 117.364 0.919 9.406 1.00 0.00 C ATOM 0 H ILE A 65 113.196 2.743 7.272 1.00 0.00 H new ATOM 0 HA ILE A 65 115.250 0.914 5.986 1.00 0.00 H new ATOM 0 HB ILE A 65 115.954 2.471 7.818 1.00 0.00 H new ATOM 0 HG12 ILE A 65 115.745 -0.399 8.845 1.00 0.00 H new ATOM 0 HG13 ILE A 65 116.803 0.033 7.516 1.00 0.00 H new ATOM 0 HG21 ILE A 65 115.032 2.134 10.090 1.00 0.00 H new ATOM 0 HG22 ILE A 65 113.775 2.683 8.957 1.00 0.00 H new ATOM 0 HG23 ILE A 65 113.853 0.971 9.438 1.00 0.00 H new ATOM 0 HD11 ILE A 65 118.032 0.099 9.671 1.00 0.00 H new ATOM 0 HD12 ILE A 65 117.941 1.726 8.954 1.00 0.00 H new ATOM 0 HD13 ILE A 65 116.868 1.287 10.304 1.00 0.00 H new ATOM 873 N THR A 66 113.972 -1.159 6.556 1.00 0.00 N ATOM 874 CA THR A 66 113.076 -2.322 6.795 1.00 0.00 C ATOM 875 C THR A 66 113.861 -3.632 6.789 1.00 0.00 C ATOM 876 O THR A 66 114.747 -3.836 5.981 1.00 0.00 O ATOM 877 CB THR A 66 112.067 -2.299 5.640 1.00 0.00 C ATOM 878 OG1 THR A 66 112.661 -1.714 4.486 1.00 0.00 O ATOM 879 CG2 THR A 66 110.836 -1.489 6.054 1.00 0.00 C ATOM 0 H THR A 66 114.804 -1.350 5.998 1.00 0.00 H new ATOM 0 HA THR A 66 112.590 -2.257 7.768 1.00 0.00 H new ATOM 0 HB THR A 66 111.768 -3.320 5.405 1.00 0.00 H new ATOM 0 HG1 THR A 66 113.277 -2.355 4.075 1.00 0.00 H new ATOM 0 HG21 THR A 66 110.119 -1.472 5.234 1.00 0.00 H new ATOM 0 HG22 THR A 66 110.376 -1.948 6.929 1.00 0.00 H new ATOM 0 HG23 THR A 66 111.136 -0.469 6.295 1.00 0.00 H new ATOM 887 N ALA A 67 113.524 -4.529 7.675 1.00 0.00 N ATOM 888 CA ALA A 67 114.215 -5.845 7.731 1.00 0.00 C ATOM 889 C ALA A 67 113.281 -6.855 8.399 1.00 0.00 C ATOM 890 O ALA A 67 112.442 -6.484 9.200 1.00 0.00 O ATOM 891 CB ALA A 67 115.465 -5.611 8.581 1.00 0.00 C ATOM 0 H ALA A 67 112.789 -4.402 8.371 1.00 0.00 H new ATOM 0 HA ALA A 67 114.481 -6.233 6.748 1.00 0.00 H new ATOM 0 HB1 ALA A 67 116.026 -6.541 8.666 1.00 0.00 H new ATOM 0 HB2 ALA A 67 116.089 -4.852 8.109 1.00 0.00 H new ATOM 0 HB3 ALA A 67 115.171 -5.272 9.574 1.00 0.00 H new ATOM 897 N GLY A 68 113.399 -8.118 8.083 1.00 0.00 N ATOM 898 CA GLY A 68 112.490 -9.117 8.719 1.00 0.00 C ATOM 899 C GLY A 68 112.948 -10.544 8.398 1.00 0.00 C ATOM 900 O GLY A 68 113.911 -10.740 7.685 1.00 0.00 O ATOM 0 H GLY A 68 114.076 -8.498 7.421 1.00 0.00 H new ATOM 0 HA2 GLY A 68 112.476 -8.968 9.799 1.00 0.00 H new ATOM 0 HA3 GLY A 68 111.471 -8.968 8.363 1.00 0.00 H new ATOM 903 N PRO A 69 112.231 -11.501 8.942 1.00 0.00 N ATOM 904 CA PRO A 69 112.564 -12.929 8.710 1.00 0.00 C ATOM 905 C PRO A 69 112.230 -13.334 7.273 1.00 0.00 C ATOM 906 O PRO A 69 111.579 -12.607 6.546 1.00 0.00 O ATOM 907 CB PRO A 69 111.678 -13.674 9.706 1.00 0.00 C ATOM 908 CG PRO A 69 110.529 -12.753 9.965 1.00 0.00 C ATOM 909 CD PRO A 69 111.053 -11.350 9.812 1.00 0.00 C ATOM 0 HA PRO A 69 113.624 -13.146 8.845 1.00 0.00 H new ATOM 0 HB2 PRO A 69 111.337 -14.625 9.297 1.00 0.00 H new ATOM 0 HB3 PRO A 69 112.219 -13.898 10.625 1.00 0.00 H new ATOM 0 HG2 PRO A 69 109.717 -12.941 9.263 1.00 0.00 H new ATOM 0 HG3 PRO A 69 110.127 -12.908 10.966 1.00 0.00 H new ATOM 0 HD2 PRO A 69 110.308 -10.693 9.364 1.00 0.00 H new ATOM 0 HD3 PRO A 69 111.322 -10.917 10.776 1.00 0.00 H new ATOM 914 N ALA A 70 112.668 -14.495 6.865 1.00 0.00 N ATOM 915 CA ALA A 70 112.380 -14.965 5.479 1.00 0.00 C ATOM 916 C ALA A 70 112.443 -16.493 5.420 1.00 0.00 C ATOM 917 O ALA A 70 113.230 -17.117 6.113 1.00 0.00 O ATOM 918 CB ALA A 70 113.479 -14.348 4.616 1.00 0.00 C ATOM 0 H ALA A 70 113.215 -15.141 7.435 1.00 0.00 H new ATOM 0 HA ALA A 70 111.386 -14.674 5.140 1.00 0.00 H new ATOM 0 HB1 ALA A 70 113.337 -14.647 3.578 1.00 0.00 H new ATOM 0 HB2 ALA A 70 113.433 -13.261 4.690 1.00 0.00 H new ATOM 0 HB3 ALA A 70 114.452 -14.694 4.964 1.00 0.00 H new ATOM 924 N TYR A 71 111.619 -17.098 4.600 1.00 0.00 N ATOM 925 CA TYR A 71 111.626 -18.585 4.492 1.00 0.00 C ATOM 926 C TYR A 71 111.930 -19.002 3.053 1.00 0.00 C ATOM 927 O TYR A 71 111.470 -18.385 2.111 1.00 0.00 O ATOM 928 CB TYR A 71 110.216 -19.020 4.893 1.00 0.00 C ATOM 929 CG TYR A 71 109.945 -18.606 6.320 1.00 0.00 C ATOM 930 CD1 TYR A 71 110.388 -19.409 7.378 1.00 0.00 C ATOM 931 CD2 TYR A 71 109.252 -17.419 6.585 1.00 0.00 C ATOM 932 CE1 TYR A 71 110.137 -19.024 8.701 1.00 0.00 C ATOM 933 CE2 TYR A 71 109.003 -17.033 7.908 1.00 0.00 C ATOM 934 CZ TYR A 71 109.445 -17.836 8.966 1.00 0.00 C ATOM 935 OH TYR A 71 109.198 -17.458 10.269 1.00 0.00 O ATOM 0 H TYR A 71 110.943 -16.624 4.002 1.00 0.00 H new ATOM 0 HA TYR A 71 112.385 -19.044 5.125 1.00 0.00 H new ATOM 0 HB2 TYR A 71 109.482 -18.568 4.227 1.00 0.00 H new ATOM 0 HB3 TYR A 71 110.115 -20.101 4.792 1.00 0.00 H new ATOM 0 HD1 TYR A 71 110.923 -20.325 7.174 1.00 0.00 H new ATOM 0 HD2 TYR A 71 108.909 -16.800 5.769 1.00 0.00 H new ATOM 0 HE1 TYR A 71 110.477 -19.644 9.517 1.00 0.00 H new ATOM 0 HE2 TYR A 71 108.470 -16.116 8.112 1.00 0.00 H new ATOM 0 HH TYR A 71 108.709 -16.609 10.276 1.00 0.00 H new ATOM 944 N ARG A 72 112.699 -20.042 2.877 1.00 0.00 N ATOM 945 CA ARG A 72 113.028 -20.496 1.496 1.00 0.00 C ATOM 946 C ARG A 72 112.294 -21.800 1.178 1.00 0.00 C ATOM 947 O ARG A 72 112.389 -22.771 1.902 1.00 0.00 O ATOM 948 CB ARG A 72 114.540 -20.718 1.497 1.00 0.00 C ATOM 949 CG ARG A 72 115.016 -20.971 0.065 1.00 0.00 C ATOM 950 CD ARG A 72 116.523 -21.236 0.064 1.00 0.00 C ATOM 951 NE ARG A 72 116.896 -21.314 -1.377 1.00 0.00 N ATOM 952 CZ ARG A 72 117.782 -22.184 -1.777 1.00 0.00 C ATOM 953 NH1 ARG A 72 117.490 -23.456 -1.785 1.00 0.00 N ATOM 954 NH2 ARG A 72 118.962 -21.784 -2.166 1.00 0.00 N ATOM 0 H ARG A 72 113.113 -20.595 3.627 1.00 0.00 H new ATOM 0 HA ARG A 72 112.725 -19.769 0.742 1.00 0.00 H new ATOM 0 HB2 ARG A 72 115.047 -19.847 1.912 1.00 0.00 H new ATOM 0 HB3 ARG A 72 114.794 -21.567 2.132 1.00 0.00 H new ATOM 0 HG2 ARG A 72 114.486 -21.824 -0.360 1.00 0.00 H new ATOM 0 HG3 ARG A 72 114.788 -20.109 -0.562 1.00 0.00 H new ATOM 0 HD2 ARG A 72 117.065 -20.437 0.570 1.00 0.00 H new ATOM 0 HD3 ARG A 72 116.762 -22.163 0.585 1.00 0.00 H new ATOM 0 HE ARG A 72 116.458 -20.686 -2.051 1.00 0.00 H new ATOM 0 HH11 ARG A 72 116.569 -23.770 -1.479 1.00 0.00 H new ATOM 0 HH12 ARG A 72 118.183 -24.136 -2.098 1.00 0.00 H new ATOM 0 HH21 ARG A 72 119.192 -20.790 -2.157 1.00 0.00 H new ATOM 0 HH22 ARG A 72 119.654 -22.465 -2.479 1.00 0.00 H new ATOM 1030 N ALA A 77 110.461 -19.174 -5.290 1.00 0.00 N ATOM 1031 CA ALA A 77 109.317 -18.887 -4.353 1.00 0.00 C ATOM 1032 C ALA A 77 109.815 -18.709 -2.915 1.00 0.00 C ATOM 1033 O ALA A 77 109.984 -19.662 -2.180 1.00 0.00 O ATOM 1034 CB ALA A 77 108.360 -20.083 -4.451 1.00 0.00 C ATOM 0 HA ALA A 77 108.816 -17.959 -4.628 1.00 0.00 H new ATOM 0 HB1 ALA A 77 107.510 -19.924 -3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 77 108.006 -20.183 -5.477 1.00 0.00 H new ATOM 0 HB3 ALA A 77 108.884 -20.993 -4.158 1.00 0.00 H new ATOM 1040 N SER A 78 110.038 -17.483 -2.510 1.00 0.00 N ATOM 1041 CA SER A 78 110.511 -17.216 -1.114 1.00 0.00 C ATOM 1042 C SER A 78 109.574 -16.211 -0.431 1.00 0.00 C ATOM 1043 O SER A 78 109.006 -15.354 -1.080 1.00 0.00 O ATOM 1044 CB SER A 78 111.909 -16.623 -1.277 1.00 0.00 C ATOM 1045 OG SER A 78 112.735 -17.549 -1.971 1.00 0.00 O ATOM 0 H SER A 78 109.913 -16.652 -3.088 1.00 0.00 H new ATOM 0 HA SER A 78 110.523 -18.115 -0.497 1.00 0.00 H new ATOM 0 HB2 SER A 78 111.856 -15.683 -1.826 1.00 0.00 H new ATOM 0 HB3 SER A 78 112.337 -16.398 -0.300 1.00 0.00 H new ATOM 0 HG SER A 78 113.632 -17.170 -2.079 1.00 0.00 H new ATOM 1050 N ILE A 79 109.405 -16.303 0.869 1.00 0.00 N ATOM 1051 CA ILE A 79 108.496 -15.343 1.570 1.00 0.00 C ATOM 1052 C ILE A 79 109.249 -14.607 2.682 1.00 0.00 C ATOM 1053 O ILE A 79 110.008 -15.201 3.425 1.00 0.00 O ATOM 1054 CB ILE A 79 107.382 -16.210 2.165 1.00 0.00 C ATOM 1055 CG1 ILE A 79 106.679 -16.989 1.048 1.00 0.00 C ATOM 1056 CG2 ILE A 79 106.360 -15.318 2.873 1.00 0.00 C ATOM 1057 CD1 ILE A 79 105.694 -17.992 1.656 1.00 0.00 C ATOM 0 H ILE A 79 109.854 -16.996 1.469 1.00 0.00 H new ATOM 0 HA ILE A 79 108.107 -14.582 0.894 1.00 0.00 H new ATOM 0 HB ILE A 79 107.818 -16.909 2.879 1.00 0.00 H new ATOM 0 HG12 ILE A 79 106.151 -16.300 0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 79 107.415 -17.512 0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 79 105.568 -15.936 3.296 1.00 0.00 H new ATOM 0 HG22 ILE A 79 106.853 -14.763 3.672 1.00 0.00 H new ATOM 0 HG23 ILE A 79 105.930 -14.618 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 79 105.197 -18.543 0.858 1.00 0.00 H new ATOM 0 HD12 ILE A 79 106.234 -18.689 2.297 1.00 0.00 H new ATOM 0 HD13 ILE A 79 104.949 -17.458 2.247 1.00 0.00 H new ATOM 1068 N TYR A 80 109.042 -13.320 2.806 1.00 0.00 N ATOM 1069 CA TYR A 80 109.746 -12.554 3.877 1.00 0.00 C ATOM 1070 C TYR A 80 108.867 -11.408 4.398 1.00 0.00 C ATOM 1071 O TYR A 80 107.874 -11.049 3.795 1.00 0.00 O ATOM 1072 CB TYR A 80 111.028 -12.028 3.217 1.00 0.00 C ATOM 1073 CG TYR A 80 110.703 -10.947 2.210 1.00 0.00 C ATOM 1074 CD1 TYR A 80 110.348 -11.293 0.900 1.00 0.00 C ATOM 1075 CD2 TYR A 80 110.762 -9.601 2.587 1.00 0.00 C ATOM 1076 CE1 TYR A 80 110.053 -10.291 -0.032 1.00 0.00 C ATOM 1077 CE2 TYR A 80 110.466 -8.599 1.655 1.00 0.00 C ATOM 1078 CZ TYR A 80 110.111 -8.944 0.346 1.00 0.00 C ATOM 1079 OH TYR A 80 109.823 -7.956 -0.573 1.00 0.00 O ATOM 0 H TYR A 80 108.419 -12.770 2.215 1.00 0.00 H new ATOM 0 HA TYR A 80 109.970 -13.173 4.746 1.00 0.00 H new ATOM 0 HB2 TYR A 80 111.700 -11.633 3.979 1.00 0.00 H new ATOM 0 HB3 TYR A 80 111.552 -12.847 2.724 1.00 0.00 H new ATOM 0 HD1 TYR A 80 110.302 -12.332 0.609 1.00 0.00 H new ATOM 0 HD2 TYR A 80 111.036 -9.335 3.597 1.00 0.00 H new ATOM 0 HE1 TYR A 80 109.781 -10.557 -1.043 1.00 0.00 H new ATOM 0 HE2 TYR A 80 110.512 -7.560 1.946 1.00 0.00 H new ATOM 0 HH TYR A 80 110.169 -8.216 -1.452 1.00 0.00 H new ATOM 1088 N GLY A 81 109.236 -10.835 5.513 1.00 0.00 N ATOM 1089 CA GLY A 81 108.441 -9.710 6.083 1.00 0.00 C ATOM 1090 C GLY A 81 109.361 -8.510 6.304 1.00 0.00 C ATOM 1091 O GLY A 81 110.570 -8.646 6.329 1.00 0.00 O ATOM 0 H GLY A 81 110.058 -11.100 6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 81 107.629 -9.442 5.406 1.00 0.00 H new ATOM 0 HA3 GLY A 81 107.984 -10.012 7.025 1.00 0.00 H new ATOM 1094 N VAL A 82 108.806 -7.336 6.455 1.00 0.00 N ATOM 1095 CA VAL A 82 109.663 -6.133 6.663 1.00 0.00 C ATOM 1096 C VAL A 82 109.115 -5.249 7.789 1.00 0.00 C ATOM 1097 O VAL A 82 107.923 -5.051 7.919 1.00 0.00 O ATOM 1098 CB VAL A 82 109.630 -5.385 5.327 1.00 0.00 C ATOM 1099 CG1 VAL A 82 110.216 -6.274 4.229 1.00 0.00 C ATOM 1100 CG2 VAL A 82 108.185 -5.022 4.967 1.00 0.00 C ATOM 0 H VAL A 82 107.802 -7.159 6.443 1.00 0.00 H new ATOM 0 HA VAL A 82 110.676 -6.408 6.957 1.00 0.00 H new ATOM 0 HB VAL A 82 110.220 -4.472 5.415 1.00 0.00 H new ATOM 0 HG11 VAL A 82 110.192 -5.741 3.278 1.00 0.00 H new ATOM 0 HG12 VAL A 82 111.247 -6.527 4.477 1.00 0.00 H new ATOM 0 HG13 VAL A 82 109.627 -7.188 4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 82 108.170 -4.490 4.016 1.00 0.00 H new ATOM 0 HG22 VAL A 82 107.591 -5.932 4.884 1.00 0.00 H new ATOM 0 HG23 VAL A 82 107.765 -4.385 5.745 1.00 0.00 H new ATOM 1110 N VAL A 83 109.991 -4.699 8.585 1.00 0.00 N ATOM 1111 CA VAL A 83 109.563 -3.797 9.694 1.00 0.00 C ATOM 1112 C VAL A 83 110.581 -2.658 9.825 1.00 0.00 C ATOM 1113 O VAL A 83 111.744 -2.838 9.530 1.00 0.00 O ATOM 1114 CB VAL A 83 109.549 -4.671 10.953 1.00 0.00 C ATOM 1115 CG1 VAL A 83 108.517 -5.789 10.781 1.00 0.00 C ATOM 1116 CG2 VAL A 83 110.936 -5.289 11.183 1.00 0.00 C ATOM 0 H VAL A 83 110.999 -4.838 8.513 1.00 0.00 H new ATOM 0 HA VAL A 83 108.584 -3.348 9.524 1.00 0.00 H new ATOM 0 HB VAL A 83 109.288 -4.054 11.813 1.00 0.00 H new ATOM 0 HG11 VAL A 83 108.504 -6.413 11.675 1.00 0.00 H new ATOM 0 HG12 VAL A 83 107.530 -5.353 10.629 1.00 0.00 H new ATOM 0 HG13 VAL A 83 108.781 -6.398 9.917 1.00 0.00 H new ATOM 0 HG21 VAL A 83 110.914 -5.908 12.080 1.00 0.00 H new ATOM 0 HG22 VAL A 83 111.207 -5.904 10.325 1.00 0.00 H new ATOM 0 HG23 VAL A 83 111.672 -4.495 11.308 1.00 0.00 H new ATOM 1126 N GLY A 84 110.174 -1.502 10.285 1.00 0.00 N ATOM 1127 CA GLY A 84 111.151 -0.397 10.435 1.00 0.00 C ATOM 1128 C GLY A 84 110.442 0.952 10.508 1.00 0.00 C ATOM 1129 O GLY A 84 109.348 1.076 11.026 1.00 0.00 O ATOM 0 H GLY A 84 109.216 -1.283 10.559 1.00 0.00 H new ATOM 0 HA2 GLY A 84 111.743 -0.550 11.337 1.00 0.00 H new ATOM 0 HA3 GLY A 84 111.844 -0.403 9.594 1.00 0.00 H new ATOM 1132 N VAL A 85 111.101 1.970 10.032 1.00 0.00 N ATOM 1133 CA VAL A 85 110.518 3.344 10.114 1.00 0.00 C ATOM 1134 C VAL A 85 110.607 4.131 8.792 1.00 0.00 C ATOM 1135 O VAL A 85 111.558 4.041 8.043 1.00 0.00 O ATOM 1136 CB VAL A 85 111.325 4.040 11.217 1.00 0.00 C ATOM 1137 CG1 VAL A 85 112.800 4.109 10.819 1.00 0.00 C ATOM 1138 CG2 VAL A 85 110.789 5.457 11.436 1.00 0.00 C ATOM 0 H VAL A 85 112.018 1.914 9.589 1.00 0.00 H new ATOM 0 HA VAL A 85 109.450 3.294 10.326 1.00 0.00 H new ATOM 0 HB VAL A 85 111.228 3.469 12.140 1.00 0.00 H new ATOM 0 HG11 VAL A 85 113.367 4.605 11.607 1.00 0.00 H new ATOM 0 HG12 VAL A 85 113.185 3.100 10.675 1.00 0.00 H new ATOM 0 HG13 VAL A 85 112.901 4.672 9.891 1.00 0.00 H new ATOM 0 HG21 VAL A 85 111.366 5.947 12.221 1.00 0.00 H new ATOM 0 HG22 VAL A 85 110.878 6.027 10.511 1.00 0.00 H new ATOM 0 HG23 VAL A 85 109.741 5.408 11.733 1.00 0.00 H new ATOM 1148 N GLY A 86 109.590 4.914 8.544 1.00 0.00 N ATOM 1149 CA GLY A 86 109.537 5.755 7.310 1.00 0.00 C ATOM 1150 C GLY A 86 109.667 7.232 7.705 1.00 0.00 C ATOM 1151 O GLY A 86 109.071 7.670 8.670 1.00 0.00 O ATOM 0 H GLY A 86 108.779 5.008 9.155 1.00 0.00 H new ATOM 0 HA2 GLY A 86 110.341 5.475 6.629 1.00 0.00 H new ATOM 0 HA3 GLY A 86 108.599 5.588 6.781 1.00 0.00 H new ATOM 1154 N TYR A 87 110.437 8.005 6.974 1.00 0.00 N ATOM 1155 CA TYR A 87 110.591 9.449 7.329 1.00 0.00 C ATOM 1156 C TYR A 87 110.136 10.344 6.174 1.00 0.00 C ATOM 1157 O TYR A 87 110.345 10.038 5.017 1.00 0.00 O ATOM 1158 CB TYR A 87 112.085 9.646 7.588 1.00 0.00 C ATOM 1159 CG TYR A 87 112.493 8.900 8.835 1.00 0.00 C ATOM 1160 CD1 TYR A 87 112.226 9.450 10.095 1.00 0.00 C ATOM 1161 CD2 TYR A 87 113.145 7.666 8.734 1.00 0.00 C ATOM 1162 CE1 TYR A 87 112.609 8.765 11.253 1.00 0.00 C ATOM 1163 CE2 TYR A 87 113.529 6.981 9.893 1.00 0.00 C ATOM 1164 CZ TYR A 87 113.260 7.531 11.154 1.00 0.00 C ATOM 1165 OH TYR A 87 113.639 6.857 12.297 1.00 0.00 O ATOM 0 H TYR A 87 110.961 7.700 6.154 1.00 0.00 H new ATOM 0 HA TYR A 87 109.984 9.714 8.195 1.00 0.00 H new ATOM 0 HB2 TYR A 87 112.661 9.288 6.735 1.00 0.00 H new ATOM 0 HB3 TYR A 87 112.307 10.707 7.700 1.00 0.00 H new ATOM 0 HD1 TYR A 87 111.724 10.403 10.173 1.00 0.00 H new ATOM 0 HD2 TYR A 87 113.352 7.242 7.762 1.00 0.00 H new ATOM 0 HE1 TYR A 87 112.402 9.189 12.224 1.00 0.00 H new ATOM 0 HE2 TYR A 87 114.033 6.029 9.816 1.00 0.00 H new ATOM 0 HH TYR A 87 113.180 7.243 13.072 1.00 0.00 H new ATOM 1174 N GLY A 88 109.526 11.457 6.488 1.00 0.00 N ATOM 1175 CA GLY A 88 109.065 12.391 5.422 1.00 0.00 C ATOM 1176 C GLY A 88 109.655 13.778 5.684 1.00 0.00 C ATOM 1177 O GLY A 88 109.345 14.415 6.675 1.00 0.00 O ATOM 0 H GLY A 88 109.327 11.759 7.442 1.00 0.00 H new ATOM 0 HA2 GLY A 88 109.377 12.028 4.443 1.00 0.00 H new ATOM 0 HA3 GLY A 88 107.976 12.441 5.411 1.00 0.00 H new ATOM 1180 N LYS A 89 110.510 14.246 4.810 1.00 0.00 N ATOM 1181 CA LYS A 89 111.126 15.590 5.011 1.00 0.00 C ATOM 1182 C LYS A 89 110.440 16.626 4.118 1.00 0.00 C ATOM 1183 O LYS A 89 110.422 16.499 2.908 1.00 0.00 O ATOM 1184 CB LYS A 89 112.590 15.415 4.603 1.00 0.00 C ATOM 1185 CG LYS A 89 113.377 16.678 4.956 1.00 0.00 C ATOM 1186 CD LYS A 89 113.620 16.724 6.465 1.00 0.00 C ATOM 1187 CE LYS A 89 114.527 17.909 6.801 1.00 0.00 C ATOM 1188 NZ LYS A 89 115.914 17.382 6.663 1.00 0.00 N ATOM 0 H LYS A 89 110.807 13.755 3.967 1.00 0.00 H new ATOM 0 HA LYS A 89 111.026 15.942 6.038 1.00 0.00 H new ATOM 0 HB2 LYS A 89 113.019 14.553 5.113 1.00 0.00 H new ATOM 0 HB3 LYS A 89 112.659 15.219 3.533 1.00 0.00 H new ATOM 0 HG2 LYS A 89 114.328 16.687 4.424 1.00 0.00 H new ATOM 0 HG3 LYS A 89 112.826 17.563 4.639 1.00 0.00 H new ATOM 0 HD2 LYS A 89 112.671 16.817 6.994 1.00 0.00 H new ATOM 0 HD3 LYS A 89 114.081 15.794 6.798 1.00 0.00 H new ATOM 0 HE2 LYS A 89 114.353 18.745 6.123 1.00 0.00 H new ATOM 0 HE3 LYS A 89 114.342 18.274 7.811 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 116.595 18.138 6.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 116.053 16.592 7.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 116.063 17.048 5.689 1.00 0.00 H new ATOM 1404 N ASP A 104 108.589 14.135 10.092 1.00 0.00 N ATOM 1405 CA ASP A 104 107.787 13.181 10.917 1.00 0.00 C ATOM 1406 C ASP A 104 108.131 11.738 10.540 1.00 0.00 C ATOM 1407 O ASP A 104 108.464 11.449 9.408 1.00 0.00 O ATOM 1408 CB ASP A 104 106.327 13.492 10.574 1.00 0.00 C ATOM 1409 CG ASP A 104 105.392 12.700 11.497 1.00 0.00 C ATOM 1410 OD1 ASP A 104 105.868 12.179 12.495 1.00 0.00 O ATOM 1411 OD2 ASP A 104 104.214 12.629 11.190 1.00 0.00 O ATOM 0 HA ASP A 104 107.987 13.287 11.983 1.00 0.00 H new ATOM 0 HB2 ASP A 104 106.139 14.560 10.682 1.00 0.00 H new ATOM 0 HB3 ASP A 104 106.127 13.236 9.533 1.00 0.00 H new ATOM 1415 N TYR A 105 108.057 10.829 11.480 1.00 0.00 N ATOM 1416 CA TYR A 105 108.384 9.406 11.174 1.00 0.00 C ATOM 1417 C TYR A 105 107.240 8.487 11.627 1.00 0.00 C ATOM 1418 O TYR A 105 106.337 8.906 12.325 1.00 0.00 O ATOM 1419 CB TYR A 105 109.675 9.121 11.956 1.00 0.00 C ATOM 1420 CG TYR A 105 109.401 9.113 13.443 1.00 0.00 C ATOM 1421 CD1 TYR A 105 109.408 10.314 14.162 1.00 0.00 C ATOM 1422 CD2 TYR A 105 109.139 7.905 14.100 1.00 0.00 C ATOM 1423 CE1 TYR A 105 109.154 10.307 15.538 1.00 0.00 C ATOM 1424 CE2 TYR A 105 108.885 7.898 15.477 1.00 0.00 C ATOM 1425 CZ TYR A 105 108.892 9.100 16.196 1.00 0.00 C ATOM 1426 OH TYR A 105 108.641 9.092 17.553 1.00 0.00 O ATOM 0 H TYR A 105 107.784 11.013 12.446 1.00 0.00 H new ATOM 0 HA TYR A 105 108.515 9.226 10.107 1.00 0.00 H new ATOM 0 HB2 TYR A 105 110.088 8.159 11.651 1.00 0.00 H new ATOM 0 HB3 TYR A 105 110.424 9.878 11.722 1.00 0.00 H new ATOM 0 HD1 TYR A 105 109.609 11.246 13.655 1.00 0.00 H new ATOM 0 HD2 TYR A 105 109.133 6.979 13.545 1.00 0.00 H new ATOM 0 HE1 TYR A 105 109.160 11.234 16.093 1.00 0.00 H new ATOM 0 HE2 TYR A 105 108.684 6.966 15.984 1.00 0.00 H new ATOM 0 HH TYR A 105 108.478 8.172 17.850 1.00 0.00 H new ATOM 1435 N GLY A 106 107.272 7.241 11.231 1.00 0.00 N ATOM 1436 CA GLY A 106 106.191 6.293 11.633 1.00 0.00 C ATOM 1437 C GLY A 106 106.696 4.859 11.487 1.00 0.00 C ATOM 1438 O GLY A 106 107.855 4.633 11.190 1.00 0.00 O ATOM 0 H GLY A 106 108.003 6.838 10.645 1.00 0.00 H new ATOM 0 HA2 GLY A 106 105.891 6.482 12.664 1.00 0.00 H new ATOM 0 HA3 GLY A 106 105.309 6.445 11.011 1.00 0.00 H new ATOM 1441 N PHE A 107 105.854 3.884 11.717 1.00 0.00 N ATOM 1442 CA PHE A 107 106.310 2.463 11.616 1.00 0.00 C ATOM 1443 C PHE A 107 105.828 1.814 10.314 1.00 0.00 C ATOM 1444 O PHE A 107 104.744 2.084 9.835 1.00 0.00 O ATOM 1445 CB PHE A 107 105.680 1.766 12.822 1.00 0.00 C ATOM 1446 CG PHE A 107 106.182 0.345 12.907 1.00 0.00 C ATOM 1447 CD1 PHE A 107 107.388 0.067 13.560 1.00 0.00 C ATOM 1448 CD2 PHE A 107 105.441 -0.695 12.332 1.00 0.00 C ATOM 1449 CE1 PHE A 107 107.853 -1.251 13.639 1.00 0.00 C ATOM 1450 CE2 PHE A 107 105.906 -2.013 12.411 1.00 0.00 C ATOM 1451 CZ PHE A 107 107.112 -2.291 13.065 1.00 0.00 C ATOM 0 H PHE A 107 104.874 4.009 11.970 1.00 0.00 H new ATOM 0 HA PHE A 107 107.397 2.389 11.609 1.00 0.00 H new ATOM 0 HB2 PHE A 107 105.928 2.305 13.736 1.00 0.00 H new ATOM 0 HB3 PHE A 107 104.594 1.774 12.732 1.00 0.00 H new ATOM 0 HD1 PHE A 107 107.960 0.869 14.003 1.00 0.00 H new ATOM 0 HD2 PHE A 107 104.511 -0.480 11.827 1.00 0.00 H new ATOM 0 HE1 PHE A 107 108.784 -1.466 14.143 1.00 0.00 H new ATOM 0 HE2 PHE A 107 105.335 -2.815 11.968 1.00 0.00 H new ATOM 0 HZ PHE A 107 107.471 -3.308 13.127 1.00 0.00 H new ATOM 1460 N SER A 108 106.632 0.951 9.745 1.00 0.00 N ATOM 1461 CA SER A 108 106.238 0.265 8.478 1.00 0.00 C ATOM 1462 C SER A 108 106.158 -1.250 8.703 1.00 0.00 C ATOM 1463 O SER A 108 106.866 -1.800 9.526 1.00 0.00 O ATOM 1464 CB SER A 108 107.347 0.602 7.484 1.00 0.00 C ATOM 1465 OG SER A 108 107.451 2.014 7.356 1.00 0.00 O ATOM 0 H SER A 108 107.550 0.691 10.107 1.00 0.00 H new ATOM 0 HA SER A 108 105.260 0.586 8.119 1.00 0.00 H new ATOM 0 HB2 SER A 108 108.295 0.186 7.824 1.00 0.00 H new ATOM 0 HB3 SER A 108 107.131 0.152 6.515 1.00 0.00 H new ATOM 0 HG SER A 108 108.163 2.233 6.720 1.00 0.00 H new ATOM 1470 N TYR A 109 105.309 -1.926 7.972 1.00 0.00 N ATOM 1471 CA TYR A 109 105.184 -3.407 8.131 1.00 0.00 C ATOM 1472 C TYR A 109 104.660 -4.031 6.832 1.00 0.00 C ATOM 1473 O TYR A 109 103.872 -3.428 6.129 1.00 0.00 O ATOM 1474 CB TYR A 109 104.173 -3.598 9.263 1.00 0.00 C ATOM 1475 CG TYR A 109 104.061 -5.066 9.600 1.00 0.00 C ATOM 1476 CD1 TYR A 109 104.952 -5.643 10.514 1.00 0.00 C ATOM 1477 CD2 TYR A 109 103.066 -5.848 9.002 1.00 0.00 C ATOM 1478 CE1 TYR A 109 104.848 -7.005 10.827 1.00 0.00 C ATOM 1479 CE2 TYR A 109 102.963 -7.209 9.316 1.00 0.00 C ATOM 1480 CZ TYR A 109 103.853 -7.787 10.229 1.00 0.00 C ATOM 1481 OH TYR A 109 103.751 -9.128 10.538 1.00 0.00 O ATOM 0 H TYR A 109 104.695 -1.515 7.269 1.00 0.00 H new ATOM 0 HA TYR A 109 106.139 -3.884 8.353 1.00 0.00 H new ATOM 0 HB2 TYR A 109 104.486 -3.036 10.143 1.00 0.00 H new ATOM 0 HB3 TYR A 109 103.200 -3.208 8.965 1.00 0.00 H new ATOM 0 HD1 TYR A 109 105.718 -5.039 10.977 1.00 0.00 H new ATOM 0 HD2 TYR A 109 102.378 -5.402 8.299 1.00 0.00 H new ATOM 0 HE1 TYR A 109 105.536 -7.451 11.530 1.00 0.00 H new ATOM 0 HE2 TYR A 109 102.196 -7.813 8.853 1.00 0.00 H new ATOM 0 HH TYR A 109 103.007 -9.523 10.037 1.00 0.00 H new ATOM 1490 N GLY A 110 105.079 -5.230 6.505 1.00 0.00 N ATOM 1491 CA GLY A 110 104.581 -5.867 5.248 1.00 0.00 C ATOM 1492 C GLY A 110 105.405 -7.114 4.899 1.00 0.00 C ATOM 1493 O GLY A 110 106.287 -7.520 5.627 1.00 0.00 O ATOM 0 H GLY A 110 105.737 -5.789 7.048 1.00 0.00 H new ATOM 0 HA2 GLY A 110 103.533 -6.141 5.366 1.00 0.00 H new ATOM 0 HA3 GLY A 110 104.633 -5.151 4.428 1.00 0.00 H new ATOM 1496 N ALA A 111 105.109 -7.714 3.776 1.00 0.00 N ATOM 1497 CA ALA A 111 105.850 -8.935 3.328 1.00 0.00 C ATOM 1498 C ALA A 111 105.632 -9.117 1.823 1.00 0.00 C ATOM 1499 O ALA A 111 104.727 -8.530 1.261 1.00 0.00 O ATOM 1500 CB ALA A 111 105.226 -10.092 4.110 1.00 0.00 C ATOM 0 H ALA A 111 104.374 -7.406 3.139 1.00 0.00 H new ATOM 0 HA ALA A 111 106.924 -8.874 3.505 1.00 0.00 H new ATOM 0 HB1 ALA A 111 105.718 -11.025 3.835 1.00 0.00 H new ATOM 0 HB2 ALA A 111 105.350 -9.918 5.179 1.00 0.00 H new ATOM 0 HB3 ALA A 111 104.164 -10.159 3.875 1.00 0.00 H new ATOM 1506 N GLY A 112 106.440 -9.905 1.149 1.00 0.00 N ATOM 1507 CA GLY A 112 106.236 -10.076 -0.322 1.00 0.00 C ATOM 1508 C GLY A 112 106.686 -11.473 -0.760 1.00 0.00 C ATOM 1509 O GLY A 112 107.102 -12.287 0.045 1.00 0.00 O ATOM 0 H GLY A 112 107.219 -10.428 1.549 1.00 0.00 H new ATOM 0 HA2 GLY A 112 105.185 -9.930 -0.570 1.00 0.00 H new ATOM 0 HA3 GLY A 112 106.800 -9.318 -0.865 1.00 0.00 H new ATOM 1512 N LEU A 113 106.601 -11.752 -2.037 1.00 0.00 N ATOM 1513 CA LEU A 113 107.015 -13.090 -2.555 1.00 0.00 C ATOM 1514 C LEU A 113 107.767 -12.927 -3.881 1.00 0.00 C ATOM 1515 O LEU A 113 107.501 -12.013 -4.638 1.00 0.00 O ATOM 1516 CB LEU A 113 105.705 -13.846 -2.775 1.00 0.00 C ATOM 1517 CG LEU A 113 106.006 -15.272 -3.242 1.00 0.00 C ATOM 1518 CD1 LEU A 113 106.473 -16.115 -2.052 1.00 0.00 C ATOM 1519 CD2 LEU A 113 104.740 -15.888 -3.842 1.00 0.00 C ATOM 0 H LEU A 113 106.260 -11.104 -2.747 1.00 0.00 H new ATOM 0 HA LEU A 113 107.681 -13.615 -1.870 1.00 0.00 H new ATOM 0 HB2 LEU A 113 105.128 -13.870 -1.851 1.00 0.00 H new ATOM 0 HB3 LEU A 113 105.096 -13.330 -3.518 1.00 0.00 H new ATOM 0 HG LEU A 113 106.792 -15.249 -3.997 1.00 0.00 H new ATOM 0 HD11 LEU A 113 106.687 -17.130 -2.387 1.00 0.00 H new ATOM 0 HD12 LEU A 113 107.375 -15.676 -1.627 1.00 0.00 H new ATOM 0 HD13 LEU A 113 105.690 -16.140 -1.294 1.00 0.00 H new ATOM 0 HD21 LEU A 113 104.952 -16.904 -4.175 1.00 0.00 H new ATOM 0 HD22 LEU A 113 103.954 -15.911 -3.088 1.00 0.00 H new ATOM 0 HD23 LEU A 113 104.411 -15.289 -4.691 1.00 0.00 H new ATOM 1530 N GLN A 114 108.694 -13.804 -4.176 1.00 0.00 N ATOM 1531 CA GLN A 114 109.446 -13.692 -5.463 1.00 0.00 C ATOM 1532 C GLN A 114 109.377 -15.020 -6.222 1.00 0.00 C ATOM 1533 O GLN A 114 109.249 -16.072 -5.624 1.00 0.00 O ATOM 1534 CB GLN A 114 110.889 -13.365 -5.059 1.00 0.00 C ATOM 1535 CG GLN A 114 111.452 -14.480 -4.173 1.00 0.00 C ATOM 1536 CD GLN A 114 112.890 -14.141 -3.779 1.00 0.00 C ATOM 1537 OE1 GLN A 114 113.817 -14.429 -4.511 1.00 0.00 O ATOM 1538 NE2 GLN A 114 113.117 -13.537 -2.645 1.00 0.00 N ATOM 0 H GLN A 114 108.962 -14.590 -3.583 1.00 0.00 H new ATOM 0 HA GLN A 114 109.034 -12.928 -6.122 1.00 0.00 H new ATOM 0 HB2 GLN A 114 111.507 -13.250 -5.949 1.00 0.00 H new ATOM 0 HB3 GLN A 114 110.919 -12.415 -4.525 1.00 0.00 H new ATOM 0 HG2 GLN A 114 110.837 -14.596 -3.281 1.00 0.00 H new ATOM 0 HG3 GLN A 114 111.424 -15.431 -4.705 1.00 0.00 H new ATOM 0 HE21 GLN A 114 112.339 -13.296 -2.031 1.00 0.00 H new ATOM 0 HE22 GLN A 114 114.072 -13.306 -2.372 1.00 0.00 H new ATOM 1545 N PHE A 115 109.456 -14.984 -7.532 1.00 0.00 N ATOM 1546 CA PHE A 115 109.384 -16.254 -8.317 1.00 0.00 C ATOM 1547 C PHE A 115 110.044 -16.086 -9.689 1.00 0.00 C ATOM 1548 O PHE A 115 110.222 -14.985 -10.173 1.00 0.00 O ATOM 1549 CB PHE A 115 107.886 -16.542 -8.464 1.00 0.00 C ATOM 1550 CG PHE A 115 107.213 -15.414 -9.215 1.00 0.00 C ATOM 1551 CD1 PHE A 115 106.788 -14.272 -8.527 1.00 0.00 C ATOM 1552 CD2 PHE A 115 107.020 -15.512 -10.597 1.00 0.00 C ATOM 1553 CE1 PHE A 115 106.167 -13.227 -9.223 1.00 0.00 C ATOM 1554 CE2 PHE A 115 106.400 -14.468 -11.293 1.00 0.00 C ATOM 1555 CZ PHE A 115 105.973 -13.325 -10.606 1.00 0.00 C ATOM 0 H PHE A 115 109.566 -14.135 -8.087 1.00 0.00 H new ATOM 0 HA PHE A 115 109.911 -17.070 -7.823 1.00 0.00 H new ATOM 0 HB2 PHE A 115 107.739 -17.482 -8.995 1.00 0.00 H new ATOM 0 HB3 PHE A 115 107.431 -16.657 -7.480 1.00 0.00 H new ATOM 0 HD1 PHE A 115 106.939 -14.196 -7.460 1.00 0.00 H new ATOM 0 HD2 PHE A 115 107.349 -16.393 -11.127 1.00 0.00 H new ATOM 0 HE1 PHE A 115 105.838 -12.346 -8.693 1.00 0.00 H new ATOM 0 HE2 PHE A 115 106.251 -14.544 -12.360 1.00 0.00 H new ATOM 0 HZ PHE A 115 105.494 -12.519 -11.143 1.00 0.00 H new ATOM 1564 N ASN A 116 110.393 -17.182 -10.323 1.00 0.00 N ATOM 1565 CA ASN A 116 111.032 -17.111 -11.683 1.00 0.00 C ATOM 1566 C ASN A 116 111.513 -18.494 -12.147 1.00 0.00 C ATOM 1567 O ASN A 116 112.062 -19.245 -11.366 1.00 0.00 O ATOM 1568 CB ASN A 116 112.246 -16.180 -11.530 1.00 0.00 C ATOM 1569 CG ASN A 116 112.093 -14.969 -12.454 1.00 0.00 C ATOM 1570 OD1 ASN A 116 113.049 -14.530 -13.061 1.00 0.00 O ATOM 1571 ND2 ASN A 116 110.923 -14.405 -12.587 1.00 0.00 N ATOM 0 H ASN A 116 110.264 -18.126 -9.958 1.00 0.00 H new ATOM 0 HA ASN A 116 110.317 -16.750 -12.423 1.00 0.00 H new ATOM 0 HB2 ASN A 116 112.334 -15.850 -10.495 1.00 0.00 H new ATOM 0 HB3 ASN A 116 113.162 -16.719 -11.772 1.00 0.00 H new ATOM 0 HD21 ASN A 116 110.813 -13.597 -13.200 1.00 0.00 H new ATOM 0 HD22 ASN A 116 110.119 -14.772 -12.078 1.00 0.00 H new ATOM 1577 N PRO A 117 111.328 -18.775 -13.419 1.00 0.00 N ATOM 1578 CA PRO A 117 111.792 -20.056 -13.984 1.00 0.00 C ATOM 1579 C PRO A 117 113.243 -19.897 -14.458 1.00 0.00 C ATOM 1580 O PRO A 117 113.581 -20.230 -15.578 1.00 0.00 O ATOM 1581 CB PRO A 117 110.861 -20.277 -15.170 1.00 0.00 C ATOM 1582 CG PRO A 117 110.392 -18.909 -15.579 1.00 0.00 C ATOM 1583 CD PRO A 117 110.670 -17.951 -14.440 1.00 0.00 C ATOM 0 HA PRO A 117 111.772 -20.886 -13.278 1.00 0.00 H new ATOM 0 HB2 PRO A 117 111.381 -20.774 -15.989 1.00 0.00 H new ATOM 0 HB3 PRO A 117 110.020 -20.913 -14.894 1.00 0.00 H new ATOM 0 HG2 PRO A 117 110.909 -18.585 -16.482 1.00 0.00 H new ATOM 0 HG3 PRO A 117 109.327 -18.926 -15.810 1.00 0.00 H new ATOM 0 HD2 PRO A 117 111.310 -17.129 -14.760 1.00 0.00 H new ATOM 0 HD3 PRO A 117 109.749 -17.508 -14.060 1.00 0.00 H new ATOM 1588 N MET A 118 114.097 -19.382 -13.610 1.00 0.00 N ATOM 1589 CA MET A 118 115.517 -19.185 -13.984 1.00 0.00 C ATOM 1590 C MET A 118 116.391 -19.398 -12.752 1.00 0.00 C ATOM 1591 O MET A 118 116.042 -19.018 -11.651 1.00 0.00 O ATOM 1592 CB MET A 118 115.603 -17.739 -14.467 1.00 0.00 C ATOM 1593 CG MET A 118 114.757 -17.569 -15.731 1.00 0.00 C ATOM 1594 SD MET A 118 115.041 -15.922 -16.428 1.00 0.00 S ATOM 1595 CE MET A 118 116.703 -16.232 -17.073 1.00 0.00 C ATOM 0 H MET A 118 113.860 -19.088 -12.663 1.00 0.00 H new ATOM 0 HA MET A 118 115.857 -19.881 -14.751 1.00 0.00 H new ATOM 0 HB2 MET A 118 115.251 -17.063 -13.688 1.00 0.00 H new ATOM 0 HB3 MET A 118 116.640 -17.475 -14.673 1.00 0.00 H new ATOM 0 HG2 MET A 118 115.017 -18.335 -16.462 1.00 0.00 H new ATOM 0 HG3 MET A 118 113.701 -17.699 -15.495 1.00 0.00 H new ATOM 0 HE1 MET A 118 117.038 -15.368 -17.646 1.00 0.00 H new ATOM 0 HE2 MET A 118 117.389 -16.405 -16.244 1.00 0.00 H new ATOM 0 HE3 MET A 118 116.685 -17.110 -17.718 1.00 0.00 H new ATOM 1603 N GLU A 119 117.507 -20.023 -12.934 1.00 0.00 N ATOM 1604 CA GLU A 119 118.420 -20.304 -11.786 1.00 0.00 C ATOM 1605 C GLU A 119 118.999 -19.021 -11.170 1.00 0.00 C ATOM 1606 O GLU A 119 119.155 -18.934 -9.967 1.00 0.00 O ATOM 1607 CB GLU A 119 119.543 -21.159 -12.375 1.00 0.00 C ATOM 1608 CG GLU A 119 118.971 -22.499 -12.849 1.00 0.00 C ATOM 1609 CD GLU A 119 120.098 -23.395 -13.376 1.00 0.00 C ATOM 1610 OE1 GLU A 119 121.199 -22.895 -13.559 1.00 0.00 O ATOM 1611 OE2 GLU A 119 119.840 -24.567 -13.592 1.00 0.00 O ATOM 0 H GLU A 119 117.839 -20.360 -13.838 1.00 0.00 H new ATOM 0 HA GLU A 119 117.884 -20.802 -10.978 1.00 0.00 H new ATOM 0 HB2 GLU A 119 120.013 -20.637 -13.209 1.00 0.00 H new ATOM 0 HB3 GLU A 119 120.318 -21.327 -11.627 1.00 0.00 H new ATOM 0 HG2 GLU A 119 118.456 -22.995 -12.026 1.00 0.00 H new ATOM 0 HG3 GLU A 119 118.232 -22.331 -13.633 1.00 0.00 H new ATOM 1616 N ASN A 120 119.357 -18.038 -11.965 1.00 0.00 N ATOM 1617 CA ASN A 120 119.963 -16.800 -11.376 1.00 0.00 C ATOM 1618 C ASN A 120 119.088 -15.555 -11.588 1.00 0.00 C ATOM 1619 O ASN A 120 119.539 -14.444 -11.383 1.00 0.00 O ATOM 1620 CB ASN A 120 121.294 -16.635 -12.109 1.00 0.00 C ATOM 1621 CG ASN A 120 122.213 -17.815 -11.780 1.00 0.00 C ATOM 1622 OD1 ASN A 120 122.005 -18.511 -10.805 1.00 0.00 O ATOM 1623 ND2 ASN A 120 123.229 -18.070 -12.558 1.00 0.00 N ATOM 0 H ASN A 120 119.258 -18.038 -12.980 1.00 0.00 H new ATOM 0 HA ASN A 120 120.073 -16.899 -10.296 1.00 0.00 H new ATOM 0 HB2 ASN A 120 121.124 -16.583 -13.184 1.00 0.00 H new ATOM 0 HB3 ASN A 120 121.769 -15.699 -11.815 1.00 0.00 H new ATOM 0 HD21 ASN A 120 123.848 -18.853 -12.348 1.00 0.00 H new ATOM 0 HD22 ASN A 120 123.404 -17.486 -13.376 1.00 0.00 H new ATOM 1629 N VAL A 121 117.851 -15.713 -11.980 1.00 0.00 N ATOM 1630 CA VAL A 121 116.978 -14.511 -12.179 1.00 0.00 C ATOM 1631 C VAL A 121 115.715 -14.641 -11.325 1.00 0.00 C ATOM 1632 O VAL A 121 115.112 -15.695 -11.259 1.00 0.00 O ATOM 1633 CB VAL A 121 116.630 -14.490 -13.669 1.00 0.00 C ATOM 1634 CG1 VAL A 121 115.800 -13.244 -13.981 1.00 0.00 C ATOM 1635 CG2 VAL A 121 117.916 -14.460 -14.499 1.00 0.00 C ATOM 0 H VAL A 121 117.408 -16.612 -12.170 1.00 0.00 H new ATOM 0 HA VAL A 121 117.475 -13.588 -11.880 1.00 0.00 H new ATOM 0 HB VAL A 121 116.058 -15.384 -13.917 1.00 0.00 H new ATOM 0 HG11 VAL A 121 115.552 -13.228 -15.042 1.00 0.00 H new ATOM 0 HG12 VAL A 121 114.882 -13.262 -13.394 1.00 0.00 H new ATOM 0 HG13 VAL A 121 116.374 -12.352 -13.730 1.00 0.00 H new ATOM 0 HG21 VAL A 121 117.664 -14.445 -15.559 1.00 0.00 H new ATOM 0 HG22 VAL A 121 118.489 -13.567 -14.250 1.00 0.00 H new ATOM 0 HG23 VAL A 121 118.511 -15.346 -14.280 1.00 0.00 H new ATOM 1645 N ALA A 122 115.313 -13.583 -10.665 1.00 0.00 N ATOM 1646 CA ALA A 122 114.089 -13.676 -9.814 1.00 0.00 C ATOM 1647 C ALA A 122 113.383 -12.327 -9.647 1.00 0.00 C ATOM 1648 O ALA A 122 114.001 -11.308 -9.425 1.00 0.00 O ATOM 1649 CB ALA A 122 114.596 -14.177 -8.461 1.00 0.00 C ATOM 0 H ALA A 122 115.772 -12.672 -10.678 1.00 0.00 H new ATOM 0 HA ALA A 122 113.350 -14.335 -10.268 1.00 0.00 H new ATOM 0 HB1 ALA A 122 113.757 -14.274 -7.772 1.00 0.00 H new ATOM 0 HB2 ALA A 122 115.075 -15.148 -8.589 1.00 0.00 H new ATOM 0 HB3 ALA A 122 115.317 -13.467 -8.057 1.00 0.00 H new ATOM 1655 N LEU A 123 112.078 -12.341 -9.720 1.00 0.00 N ATOM 1656 CA LEU A 123 111.290 -11.089 -9.528 1.00 0.00 C ATOM 1657 C LEU A 123 110.693 -11.133 -8.127 1.00 0.00 C ATOM 1658 O LEU A 123 110.474 -12.204 -7.596 1.00 0.00 O ATOM 1659 CB LEU A 123 110.190 -11.121 -10.594 1.00 0.00 C ATOM 1660 CG LEU A 123 110.818 -11.218 -11.989 1.00 0.00 C ATOM 1661 CD1 LEU A 123 109.711 -11.272 -13.043 1.00 0.00 C ATOM 1662 CD2 LEU A 123 111.697 -9.990 -12.246 1.00 0.00 C ATOM 0 H LEU A 123 111.520 -13.174 -9.906 1.00 0.00 H new ATOM 0 HA LEU A 123 111.884 -10.180 -9.625 1.00 0.00 H new ATOM 0 HB2 LEU A 123 109.530 -11.972 -10.423 1.00 0.00 H new ATOM 0 HB3 LEU A 123 109.577 -10.223 -10.523 1.00 0.00 H new ATOM 0 HG LEU A 123 111.427 -12.120 -12.047 1.00 0.00 H new ATOM 0 HD11 LEU A 123 110.157 -11.341 -14.035 1.00 0.00 H new ATOM 0 HD12 LEU A 123 109.082 -12.145 -12.866 1.00 0.00 H new ATOM 0 HD13 LEU A 123 109.104 -10.369 -12.980 1.00 0.00 H new ATOM 0 HD21 LEU A 123 112.142 -10.062 -13.238 1.00 0.00 H new ATOM 0 HD22 LEU A 123 111.088 -9.088 -12.186 1.00 0.00 H new ATOM 0 HD23 LEU A 123 112.487 -9.945 -11.497 1.00 0.00 H new ATOM 1673 N ASP A 124 110.422 -10.014 -7.505 1.00 0.00 N ATOM 1674 CA ASP A 124 109.839 -10.070 -6.132 1.00 0.00 C ATOM 1675 C ASP A 124 108.833 -8.937 -5.935 1.00 0.00 C ATOM 1676 O ASP A 124 109.083 -7.807 -6.307 1.00 0.00 O ATOM 1677 CB ASP A 124 111.033 -9.896 -5.188 1.00 0.00 C ATOM 1678 CG ASP A 124 110.584 -10.085 -3.734 1.00 0.00 C ATOM 1679 OD1 ASP A 124 109.489 -10.584 -3.525 1.00 0.00 O ATOM 1680 OD2 ASP A 124 111.346 -9.726 -2.851 1.00 0.00 O ATOM 0 H ASP A 124 110.576 -9.079 -7.881 1.00 0.00 H new ATOM 0 HA ASP A 124 109.305 -11.002 -5.950 1.00 0.00 H new ATOM 0 HB2 ASP A 124 111.810 -10.620 -5.434 1.00 0.00 H new ATOM 0 HB3 ASP A 124 111.468 -8.905 -5.317 1.00 0.00 H new ATOM 1684 N PHE A 125 107.705 -9.227 -5.339 1.00 0.00 N ATOM 1685 CA PHE A 125 106.685 -8.166 -5.096 1.00 0.00 C ATOM 1686 C PHE A 125 106.276 -8.200 -3.622 1.00 0.00 C ATOM 1687 O PHE A 125 106.181 -9.258 -3.028 1.00 0.00 O ATOM 1688 CB PHE A 125 105.506 -8.531 -5.998 1.00 0.00 C ATOM 1689 CG PHE A 125 104.517 -7.391 -6.022 1.00 0.00 C ATOM 1690 CD1 PHE A 125 104.702 -6.324 -6.910 1.00 0.00 C ATOM 1691 CD2 PHE A 125 103.416 -7.399 -5.157 1.00 0.00 C ATOM 1692 CE1 PHE A 125 103.786 -5.266 -6.934 1.00 0.00 C ATOM 1693 CE2 PHE A 125 102.501 -6.340 -5.181 1.00 0.00 C ATOM 1694 CZ PHE A 125 102.686 -5.274 -6.069 1.00 0.00 C ATOM 0 H PHE A 125 107.447 -10.157 -5.009 1.00 0.00 H new ATOM 0 HA PHE A 125 107.051 -7.163 -5.313 1.00 0.00 H new ATOM 0 HB2 PHE A 125 105.859 -8.741 -7.008 1.00 0.00 H new ATOM 0 HB3 PHE A 125 105.023 -9.438 -5.634 1.00 0.00 H new ATOM 0 HD1 PHE A 125 105.552 -6.318 -7.577 1.00 0.00 H new ATOM 0 HD2 PHE A 125 103.273 -8.222 -4.472 1.00 0.00 H new ATOM 0 HE1 PHE A 125 103.928 -4.444 -7.620 1.00 0.00 H new ATOM 0 HE2 PHE A 125 101.652 -6.345 -4.514 1.00 0.00 H new ATOM 0 HZ PHE A 125 101.980 -4.457 -6.087 1.00 0.00 H new ATOM 1703 N SER A 126 106.049 -7.063 -3.018 1.00 0.00 N ATOM 1704 CA SER A 126 105.666 -7.060 -1.574 1.00 0.00 C ATOM 1705 C SER A 126 104.689 -5.927 -1.259 1.00 0.00 C ATOM 1706 O SER A 126 104.649 -4.916 -1.935 1.00 0.00 O ATOM 1707 CB SER A 126 106.981 -6.844 -0.827 1.00 0.00 C ATOM 1708 OG SER A 126 106.751 -6.954 0.571 1.00 0.00 O ATOM 0 H SER A 126 106.111 -6.144 -3.456 1.00 0.00 H new ATOM 0 HA SER A 126 105.164 -7.985 -1.289 1.00 0.00 H new ATOM 0 HB2 SER A 126 107.718 -7.581 -1.145 1.00 0.00 H new ATOM 0 HB3 SER A 126 107.390 -5.862 -1.064 1.00 0.00 H new ATOM 0 HG SER A 126 107.593 -6.818 1.053 1.00 0.00 H new ATOM 1713 N TYR A 127 103.916 -6.086 -0.216 1.00 0.00 N ATOM 1714 CA TYR A 127 102.952 -5.020 0.179 1.00 0.00 C ATOM 1715 C TYR A 127 103.469 -4.331 1.441 1.00 0.00 C ATOM 1716 O TYR A 127 103.646 -4.958 2.468 1.00 0.00 O ATOM 1717 CB TYR A 127 101.640 -5.751 0.477 1.00 0.00 C ATOM 1718 CG TYR A 127 101.145 -6.452 -0.765 1.00 0.00 C ATOM 1719 CD1 TYR A 127 100.312 -5.778 -1.665 1.00 0.00 C ATOM 1720 CD2 TYR A 127 101.511 -7.782 -1.012 1.00 0.00 C ATOM 1721 CE1 TYR A 127 99.845 -6.431 -2.812 1.00 0.00 C ATOM 1722 CE2 TYR A 127 101.043 -8.435 -2.157 1.00 0.00 C ATOM 1723 CZ TYR A 127 100.211 -7.760 -3.058 1.00 0.00 C ATOM 1724 OH TYR A 127 99.750 -8.404 -4.187 1.00 0.00 O ATOM 0 H TYR A 127 103.912 -6.913 0.381 1.00 0.00 H new ATOM 0 HA TYR A 127 102.821 -4.262 -0.593 1.00 0.00 H new ATOM 0 HB2 TYR A 127 101.792 -6.475 1.277 1.00 0.00 H new ATOM 0 HB3 TYR A 127 100.890 -5.041 0.827 1.00 0.00 H new ATOM 0 HD1 TYR A 127 100.029 -4.753 -1.475 1.00 0.00 H new ATOM 0 HD2 TYR A 127 102.154 -8.303 -0.318 1.00 0.00 H new ATOM 0 HE1 TYR A 127 99.203 -5.910 -3.507 1.00 0.00 H new ATOM 0 HE2 TYR A 127 101.324 -9.461 -2.346 1.00 0.00 H new ATOM 0 HH TYR A 127 100.098 -9.320 -4.206 1.00 0.00 H new ATOM 1733 N GLU A 128 103.726 -3.051 1.375 1.00 0.00 N ATOM 1734 CA GLU A 128 104.245 -2.334 2.575 1.00 0.00 C ATOM 1735 C GLU A 128 103.465 -1.042 2.818 1.00 0.00 C ATOM 1736 O GLU A 128 103.066 -0.361 1.893 1.00 0.00 O ATOM 1737 CB GLU A 128 105.706 -2.022 2.246 1.00 0.00 C ATOM 1738 CG GLU A 128 106.384 -1.398 3.470 1.00 0.00 C ATOM 1739 CD GLU A 128 107.822 -0.987 3.125 1.00 0.00 C ATOM 1740 OE1 GLU A 128 108.221 -1.173 1.985 1.00 0.00 O ATOM 1741 OE2 GLU A 128 108.501 -0.494 4.010 1.00 0.00 O ATOM 0 H GLU A 128 103.599 -2.473 0.544 1.00 0.00 H new ATOM 0 HA GLU A 128 104.143 -2.932 3.481 1.00 0.00 H new ATOM 0 HB2 GLU A 128 106.227 -2.934 1.954 1.00 0.00 H new ATOM 0 HB3 GLU A 128 105.761 -1.338 1.399 1.00 0.00 H new ATOM 0 HG2 GLU A 128 105.819 -0.528 3.804 1.00 0.00 H new ATOM 0 HG3 GLU A 128 106.389 -2.110 4.295 1.00 0.00 H new ATOM 1746 N GLN A 129 103.259 -0.696 4.061 1.00 0.00 N ATOM 1747 CA GLN A 129 102.522 0.560 4.382 1.00 0.00 C ATOM 1748 C GLN A 129 103.168 1.240 5.595 1.00 0.00 C ATOM 1749 O GLN A 129 103.802 0.595 6.408 1.00 0.00 O ATOM 1750 CB GLN A 129 101.088 0.112 4.694 1.00 0.00 C ATOM 1751 CG GLN A 129 101.079 -0.795 5.929 1.00 0.00 C ATOM 1752 CD GLN A 129 99.698 -1.436 6.081 1.00 0.00 C ATOM 1753 OE1 GLN A 129 99.101 -1.857 5.110 1.00 0.00 O ATOM 1754 NE2 GLN A 129 99.161 -1.526 7.268 1.00 0.00 N ATOM 0 H GLN A 129 103.571 -1.232 4.871 1.00 0.00 H new ATOM 0 HA GLN A 129 102.542 1.283 3.567 1.00 0.00 H new ATOM 0 HB2 GLN A 129 100.456 0.983 4.868 1.00 0.00 H new ATOM 0 HB3 GLN A 129 100.670 -0.420 3.839 1.00 0.00 H new ATOM 0 HG2 GLN A 129 101.842 -1.568 5.831 1.00 0.00 H new ATOM 0 HG3 GLN A 129 101.323 -0.217 6.820 1.00 0.00 H new ATOM 0 HE21 GLN A 129 99.663 -1.172 8.083 1.00 0.00 H new ATOM 0 HE22 GLN A 129 98.240 -1.950 7.380 1.00 0.00 H new ATOM 1761 N SER A 130 103.013 2.531 5.722 1.00 0.00 N ATOM 1762 CA SER A 130 103.622 3.241 6.884 1.00 0.00 C ATOM 1763 C SER A 130 102.689 4.344 7.379 1.00 0.00 C ATOM 1764 O SER A 130 102.056 5.029 6.598 1.00 0.00 O ATOM 1765 CB SER A 130 104.921 3.839 6.345 1.00 0.00 C ATOM 1766 OG SER A 130 105.638 4.442 7.414 1.00 0.00 O ATOM 0 H SER A 130 102.493 3.123 5.074 1.00 0.00 H new ATOM 0 HA SER A 130 103.799 2.574 7.728 1.00 0.00 H new ATOM 0 HB2 SER A 130 105.526 3.062 5.878 1.00 0.00 H new ATOM 0 HB3 SER A 130 104.703 4.579 5.575 1.00 0.00 H new ATOM 0 HG SER A 130 106.370 3.852 7.691 1.00 0.00 H new ATOM 1771 N ARG A 131 102.604 4.526 8.670 1.00 0.00 N ATOM 1772 CA ARG A 131 101.717 5.593 9.215 1.00 0.00 C ATOM 1773 C ARG A 131 102.494 6.458 10.207 1.00 0.00 C ATOM 1774 O ARG A 131 103.187 5.951 11.073 1.00 0.00 O ATOM 1775 CB ARG A 131 100.586 4.846 9.921 1.00 0.00 C ATOM 1776 CG ARG A 131 99.768 4.065 8.889 1.00 0.00 C ATOM 1777 CD ARG A 131 98.563 3.411 9.571 1.00 0.00 C ATOM 1778 NE ARG A 131 99.142 2.518 10.613 1.00 0.00 N ATOM 1779 CZ ARG A 131 98.998 1.225 10.517 1.00 0.00 C ATOM 1780 NH1 ARG A 131 97.808 0.710 10.373 1.00 0.00 N ATOM 1781 NH2 ARG A 131 100.044 0.446 10.566 1.00 0.00 N ATOM 0 H ARG A 131 103.110 3.982 9.369 1.00 0.00 H new ATOM 0 HA ARG A 131 101.339 6.258 8.439 1.00 0.00 H new ATOM 0 HB2 ARG A 131 100.996 4.165 10.667 1.00 0.00 H new ATOM 0 HB3 ARG A 131 99.945 5.551 10.451 1.00 0.00 H new ATOM 0 HG2 ARG A 131 99.431 4.734 8.097 1.00 0.00 H new ATOM 0 HG3 ARG A 131 100.390 3.303 8.419 1.00 0.00 H new ATOM 0 HD2 ARG A 131 97.907 4.160 10.014 1.00 0.00 H new ATOM 0 HD3 ARG A 131 97.965 2.846 8.856 1.00 0.00 H new ATOM 0 HE ARG A 131 99.651 2.917 11.402 1.00 0.00 H new ATOM 0 HH11 ARG A 131 96.990 1.318 10.335 1.00 0.00 H new ATOM 0 HH12 ARG A 131 97.695 -0.301 10.298 1.00 0.00 H new ATOM 0 HH21 ARG A 131 100.975 0.848 10.679 1.00 0.00 H new ATOM 0 HH22 ARG A 131 99.931 -0.565 10.491 1.00 0.00 H new ATOM 1792 N ILE A 132 102.380 7.758 10.091 1.00 0.00 N ATOM 1793 CA ILE A 132 103.101 8.657 11.024 1.00 0.00 C ATOM 1794 C ILE A 132 102.084 9.599 11.672 1.00 0.00 C ATOM 1795 O ILE A 132 102.270 10.793 11.715 1.00 0.00 O ATOM 1796 CB ILE A 132 104.146 9.417 10.170 1.00 0.00 C ATOM 1797 CG1 ILE A 132 103.463 10.422 9.234 1.00 0.00 C ATOM 1798 CG2 ILE A 132 104.955 8.424 9.318 1.00 0.00 C ATOM 1799 CD1 ILE A 132 104.531 11.235 8.495 1.00 0.00 C ATOM 0 H ILE A 132 101.815 8.230 9.385 1.00 0.00 H new ATOM 0 HA ILE A 132 103.608 8.125 11.829 1.00 0.00 H new ATOM 0 HB ILE A 132 104.807 9.952 10.852 1.00 0.00 H new ATOM 0 HG12 ILE A 132 102.830 9.897 8.519 1.00 0.00 H new ATOM 0 HG13 ILE A 132 102.815 11.086 9.806 1.00 0.00 H new ATOM 0 HG21 ILE A 132 105.687 8.969 8.721 1.00 0.00 H new ATOM 0 HG22 ILE A 132 105.471 7.720 9.971 1.00 0.00 H new ATOM 0 HG23 ILE A 132 104.281 7.879 8.657 1.00 0.00 H new ATOM 0 HD11 ILE A 132 104.048 11.950 7.829 1.00 0.00 H new ATOM 0 HD12 ILE A 132 105.146 11.771 9.218 1.00 0.00 H new ATOM 0 HD13 ILE A 132 105.160 10.563 7.911 1.00 0.00 H new ATOM 1810 N ARG A 133 101.002 9.043 12.171 1.00 0.00 N ATOM 1811 CA ARG A 133 99.925 9.853 12.837 1.00 0.00 C ATOM 1812 C ARG A 133 99.297 10.887 11.890 1.00 0.00 C ATOM 1813 O ARG A 133 98.097 10.903 11.694 1.00 0.00 O ATOM 1814 CB ARG A 133 100.605 10.549 14.022 1.00 0.00 C ATOM 1815 CG ARG A 133 101.149 9.495 14.989 1.00 0.00 C ATOM 1816 CD ARG A 133 101.743 10.185 16.218 1.00 0.00 C ATOM 1817 NE ARG A 133 102.427 9.099 16.975 1.00 0.00 N ATOM 1818 CZ ARG A 133 103.701 8.880 16.796 1.00 0.00 C ATOM 1819 NH1 ARG A 133 104.105 8.175 15.775 1.00 0.00 N ATOM 1820 NH2 ARG A 133 104.571 9.366 17.639 1.00 0.00 N ATOM 0 H ARG A 133 100.816 8.040 12.144 1.00 0.00 H new ATOM 0 HA ARG A 133 99.103 9.209 13.151 1.00 0.00 H new ATOM 0 HB2 ARG A 133 101.416 11.185 13.667 1.00 0.00 H new ATOM 0 HB3 ARG A 133 99.893 11.196 14.535 1.00 0.00 H new ATOM 0 HG2 ARG A 133 100.351 8.817 15.290 1.00 0.00 H new ATOM 0 HG3 ARG A 133 101.910 8.892 14.495 1.00 0.00 H new ATOM 0 HD2 ARG A 133 102.444 10.968 15.931 1.00 0.00 H new ATOM 0 HD3 ARG A 133 100.966 10.657 16.820 1.00 0.00 H new ATOM 0 HE ARG A 133 101.899 8.526 17.634 1.00 0.00 H new ATOM 0 HH11 ARG A 133 103.425 7.795 15.117 1.00 0.00 H new ATOM 0 HH12 ARG A 133 105.101 8.004 15.635 1.00 0.00 H new ATOM 0 HH21 ARG A 133 104.255 9.917 18.437 1.00 0.00 H new ATOM 0 HH22 ARG A 133 105.567 9.195 17.499 1.00 0.00 H new ATOM 1831 N SER A 134 100.085 11.756 11.318 1.00 0.00 N ATOM 1832 CA SER A 134 99.528 12.794 10.405 1.00 0.00 C ATOM 1833 C SER A 134 99.543 12.313 8.955 1.00 0.00 C ATOM 1834 O SER A 134 98.803 12.812 8.127 1.00 0.00 O ATOM 1835 CB SER A 134 100.450 14.000 10.577 1.00 0.00 C ATOM 1836 OG SER A 134 100.423 14.422 11.934 1.00 0.00 O ATOM 0 H SER A 134 101.096 11.792 11.445 1.00 0.00 H new ATOM 0 HA SER A 134 98.490 13.027 10.641 1.00 0.00 H new ATOM 0 HB2 SER A 134 101.467 13.739 10.285 1.00 0.00 H new ATOM 0 HB3 SER A 134 100.130 14.813 9.925 1.00 0.00 H new ATOM 0 HG SER A 134 101.015 15.195 12.048 1.00 0.00 H new ATOM 1841 N VAL A 135 100.373 11.354 8.635 1.00 0.00 N ATOM 1842 CA VAL A 135 100.404 10.869 7.215 1.00 0.00 C ATOM 1843 C VAL A 135 100.430 9.342 7.141 1.00 0.00 C ATOM 1844 O VAL A 135 101.135 8.681 7.875 1.00 0.00 O ATOM 1845 CB VAL A 135 101.667 11.468 6.588 1.00 0.00 C ATOM 1846 CG1 VAL A 135 101.697 11.131 5.097 1.00 0.00 C ATOM 1847 CG2 VAL A 135 101.658 12.990 6.760 1.00 0.00 C ATOM 0 H VAL A 135 101.018 10.892 9.276 1.00 0.00 H new ATOM 0 HA VAL A 135 99.506 11.180 6.681 1.00 0.00 H new ATOM 0 HB VAL A 135 102.547 11.053 7.080 1.00 0.00 H new ATOM 0 HG11 VAL A 135 102.594 11.555 4.646 1.00 0.00 H new ATOM 0 HG12 VAL A 135 101.703 10.049 4.969 1.00 0.00 H new ATOM 0 HG13 VAL A 135 100.815 11.549 4.612 1.00 0.00 H new ATOM 0 HG21 VAL A 135 102.558 13.412 6.313 1.00 0.00 H new ATOM 0 HG22 VAL A 135 100.779 13.407 6.268 1.00 0.00 H new ATOM 0 HG23 VAL A 135 101.631 13.236 7.822 1.00 0.00 H new ATOM 1857 N ASP A 136 99.667 8.782 6.241 1.00 0.00 N ATOM 1858 CA ASP A 136 99.638 7.302 6.083 1.00 0.00 C ATOM 1859 C ASP A 136 99.763 6.964 4.600 1.00 0.00 C ATOM 1860 O ASP A 136 98.895 7.279 3.810 1.00 0.00 O ATOM 1861 CB ASP A 136 98.275 6.867 6.626 1.00 0.00 C ATOM 1862 CG ASP A 136 98.190 7.165 8.127 1.00 0.00 C ATOM 1863 OD1 ASP A 136 99.232 7.328 8.743 1.00 0.00 O ATOM 1864 OD2 ASP A 136 97.083 7.227 8.636 1.00 0.00 O ATOM 0 H ASP A 136 99.057 9.293 5.603 1.00 0.00 H new ATOM 0 HA ASP A 136 100.450 6.799 6.608 1.00 0.00 H new ATOM 0 HB2 ASP A 136 97.479 7.391 6.097 1.00 0.00 H new ATOM 0 HB3 ASP A 136 98.127 5.802 6.449 1.00 0.00 H new ATOM 1868 N VAL A 137 100.842 6.347 4.208 1.00 0.00 N ATOM 1869 CA VAL A 137 101.032 6.014 2.766 1.00 0.00 C ATOM 1870 C VAL A 137 101.207 4.505 2.574 1.00 0.00 C ATOM 1871 O VAL A 137 101.738 3.818 3.425 1.00 0.00 O ATOM 1872 CB VAL A 137 102.310 6.758 2.359 1.00 0.00 C ATOM 1873 CG1 VAL A 137 102.113 8.263 2.553 1.00 0.00 C ATOM 1874 CG2 VAL A 137 103.483 6.288 3.228 1.00 0.00 C ATOM 0 H VAL A 137 101.602 6.058 4.823 1.00 0.00 H new ATOM 0 HA VAL A 137 100.172 6.305 2.162 1.00 0.00 H new ATOM 0 HB VAL A 137 102.525 6.548 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 137 103.022 8.789 2.263 1.00 0.00 H new ATOM 0 HG12 VAL A 137 101.283 8.604 1.934 1.00 0.00 H new ATOM 0 HG13 VAL A 137 101.893 8.469 3.600 1.00 0.00 H new ATOM 0 HG21 VAL A 137 104.389 6.819 2.935 1.00 0.00 H new ATOM 0 HG22 VAL A 137 103.265 6.493 4.276 1.00 0.00 H new ATOM 0 HG23 VAL A 137 103.631 5.217 3.091 1.00 0.00 H new ATOM 1884 N GLY A 138 100.779 3.993 1.451 1.00 0.00 N ATOM 1885 CA GLY A 138 100.934 2.534 1.181 1.00 0.00 C ATOM 1886 C GLY A 138 101.900 2.374 0.011 1.00 0.00 C ATOM 1887 O GLY A 138 101.744 3.015 -1.009 1.00 0.00 O ATOM 0 H GLY A 138 100.327 4.524 0.707 1.00 0.00 H new ATOM 0 HA2 GLY A 138 101.316 2.021 2.064 1.00 0.00 H new ATOM 0 HA3 GLY A 138 99.969 2.085 0.944 1.00 0.00 H new ATOM 1890 N THR A 139 102.907 1.550 0.148 1.00 0.00 N ATOM 1891 CA THR A 139 103.884 1.400 -0.970 1.00 0.00 C ATOM 1892 C THR A 139 104.065 -0.061 -1.390 1.00 0.00 C ATOM 1893 O THR A 139 104.073 -0.965 -0.577 1.00 0.00 O ATOM 1894 CB THR A 139 105.199 1.970 -0.420 1.00 0.00 C ATOM 1895 OG1 THR A 139 106.147 2.067 -1.473 1.00 0.00 O ATOM 1896 CG2 THR A 139 105.756 1.066 0.687 1.00 0.00 C ATOM 0 H THR A 139 103.093 0.982 0.974 1.00 0.00 H new ATOM 0 HA THR A 139 103.540 1.918 -1.865 1.00 0.00 H new ATOM 0 HB THR A 139 105.006 2.958 -0.001 1.00 0.00 H new ATOM 0 HG1 THR A 139 105.679 2.081 -2.334 1.00 0.00 H new ATOM 0 HG21 THR A 139 106.688 1.486 1.065 1.00 0.00 H new ATOM 0 HG22 THR A 139 105.033 0.998 1.500 1.00 0.00 H new ATOM 0 HG23 THR A 139 105.943 0.071 0.284 1.00 0.00 H new ATOM 1904 N TRP A 140 104.244 -0.275 -2.664 1.00 0.00 N ATOM 1905 CA TRP A 140 104.470 -1.649 -3.188 1.00 0.00 C ATOM 1906 C TRP A 140 105.797 -1.659 -3.947 1.00 0.00 C ATOM 1907 O TRP A 140 106.126 -0.708 -4.631 1.00 0.00 O ATOM 1908 CB TRP A 140 103.296 -1.920 -4.134 1.00 0.00 C ATOM 1909 CG TRP A 140 102.000 -1.906 -3.376 1.00 0.00 C ATOM 1910 CD1 TRP A 140 101.854 -2.202 -2.060 1.00 0.00 C ATOM 1911 CD2 TRP A 140 100.666 -1.587 -3.869 1.00 0.00 C ATOM 1912 NE1 TRP A 140 100.519 -2.082 -1.718 1.00 0.00 N ATOM 1913 CE2 TRP A 140 99.747 -1.706 -2.799 1.00 0.00 C ATOM 1914 CE3 TRP A 140 100.169 -1.209 -5.129 1.00 0.00 C ATOM 1915 CZ2 TRP A 140 98.385 -1.459 -2.973 1.00 0.00 C ATOM 1916 CZ3 TRP A 140 98.799 -0.959 -5.308 1.00 0.00 C ATOM 1917 CH2 TRP A 140 97.908 -1.084 -4.232 1.00 0.00 C ATOM 0 H TRP A 140 104.243 0.457 -3.374 1.00 0.00 H new ATOM 0 HA TRP A 140 104.522 -2.408 -2.407 1.00 0.00 H new ATOM 0 HB2 TRP A 140 103.273 -1.166 -4.921 1.00 0.00 H new ATOM 0 HB3 TRP A 140 103.429 -2.886 -4.622 1.00 0.00 H new ATOM 0 HD1 TRP A 140 102.651 -2.485 -1.388 1.00 0.00 H new ATOM 0 HE1 TRP A 140 100.150 -2.251 -0.782 1.00 0.00 H new ATOM 0 HE3 TRP A 140 100.846 -1.110 -5.965 1.00 0.00 H new ATOM 0 HZ2 TRP A 140 97.704 -1.557 -2.141 1.00 0.00 H new ATOM 0 HZ3 TRP A 140 98.429 -0.669 -6.280 1.00 0.00 H new ATOM 0 HH2 TRP A 140 96.855 -0.891 -4.376 1.00 0.00 H new ATOM 1927 N ILE A 141 106.570 -2.704 -3.828 1.00 0.00 N ATOM 1928 CA ILE A 141 107.880 -2.730 -4.543 1.00 0.00 C ATOM 1929 C ILE A 141 107.957 -3.910 -5.513 1.00 0.00 C ATOM 1930 O ILE A 141 107.374 -4.954 -5.294 1.00 0.00 O ATOM 1931 CB ILE A 141 108.934 -2.866 -3.439 1.00 0.00 C ATOM 1932 CG1 ILE A 141 108.711 -4.171 -2.667 1.00 0.00 C ATOM 1933 CG2 ILE A 141 108.834 -1.679 -2.476 1.00 0.00 C ATOM 1934 CD1 ILE A 141 109.869 -4.393 -1.694 1.00 0.00 C ATOM 0 H ILE A 141 106.356 -3.533 -3.273 1.00 0.00 H new ATOM 0 HA ILE A 141 108.028 -1.833 -5.144 1.00 0.00 H new ATOM 0 HB ILE A 141 109.925 -2.879 -3.893 1.00 0.00 H new ATOM 0 HG12 ILE A 141 107.768 -4.127 -2.122 1.00 0.00 H new ATOM 0 HG13 ILE A 141 108.640 -5.009 -3.361 1.00 0.00 H new ATOM 0 HG21 ILE A 141 109.586 -1.781 -1.693 1.00 0.00 H new ATOM 0 HG22 ILE A 141 109.003 -0.751 -3.023 1.00 0.00 H new ATOM 0 HG23 ILE A 141 107.842 -1.659 -2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 141 109.710 -5.321 -1.145 1.00 0.00 H new ATOM 0 HD12 ILE A 141 110.804 -4.456 -2.250 1.00 0.00 H new ATOM 0 HD13 ILE A 141 109.919 -3.561 -0.992 1.00 0.00 H new ATOM 1945 N ALA A 142 108.693 -3.744 -6.579 1.00 0.00 N ATOM 1946 CA ALA A 142 108.843 -4.843 -7.575 1.00 0.00 C ATOM 1947 C ALA A 142 110.213 -4.723 -8.239 1.00 0.00 C ATOM 1948 O ALA A 142 110.668 -3.631 -8.525 1.00 0.00 O ATOM 1949 CB ALA A 142 107.726 -4.615 -8.594 1.00 0.00 C ATOM 0 H ALA A 142 109.200 -2.888 -6.804 1.00 0.00 H new ATOM 0 HA ALA A 142 108.775 -5.835 -7.130 1.00 0.00 H new ATOM 0 HB1 ALA A 142 107.771 -5.387 -9.362 1.00 0.00 H new ATOM 0 HB2 ALA A 142 106.760 -4.659 -8.091 1.00 0.00 H new ATOM 0 HB3 ALA A 142 107.850 -3.636 -9.056 1.00 0.00 H new ATOM 1955 N GLY A 143 110.887 -5.819 -8.480 1.00 0.00 N ATOM 1956 CA GLY A 143 112.231 -5.710 -9.115 1.00 0.00 C ATOM 1957 C GLY A 143 112.808 -7.082 -9.469 1.00 0.00 C ATOM 1958 O GLY A 143 112.100 -8.004 -9.831 1.00 0.00 O ATOM 0 H GLY A 143 110.572 -6.766 -8.269 1.00 0.00 H new ATOM 0 HA2 GLY A 143 112.158 -5.103 -10.017 1.00 0.00 H new ATOM 0 HA3 GLY A 143 112.912 -5.194 -8.438 1.00 0.00 H new ATOM 1961 N VAL A 144 114.107 -7.197 -9.371 1.00 0.00 N ATOM 1962 CA VAL A 144 114.795 -8.477 -9.715 1.00 0.00 C ATOM 1963 C VAL A 144 115.530 -9.046 -8.499 1.00 0.00 C ATOM 1964 O VAL A 144 115.512 -8.473 -7.427 1.00 0.00 O ATOM 1965 CB VAL A 144 115.787 -8.113 -10.824 1.00 0.00 C ATOM 1966 CG1 VAL A 144 115.022 -7.591 -12.041 1.00 0.00 C ATOM 1967 CG2 VAL A 144 116.749 -7.027 -10.327 1.00 0.00 C ATOM 0 H VAL A 144 114.728 -6.449 -9.063 1.00 0.00 H new ATOM 0 HA VAL A 144 114.088 -9.243 -10.034 1.00 0.00 H new ATOM 0 HB VAL A 144 116.356 -9.001 -11.100 1.00 0.00 H new ATOM 0 HG11 VAL A 144 115.727 -7.332 -12.830 1.00 0.00 H new ATOM 0 HG12 VAL A 144 114.341 -8.362 -12.401 1.00 0.00 H new ATOM 0 HG13 VAL A 144 114.451 -6.706 -11.760 1.00 0.00 H new ATOM 0 HG21 VAL A 144 117.452 -6.773 -11.120 1.00 0.00 H new ATOM 0 HG22 VAL A 144 116.182 -6.139 -10.046 1.00 0.00 H new ATOM 0 HG23 VAL A 144 117.298 -7.396 -9.461 1.00 0.00 H new ATOM 1977 N GLY A 145 116.176 -10.173 -8.663 1.00 0.00 N ATOM 1978 CA GLY A 145 116.909 -10.783 -7.517 1.00 0.00 C ATOM 1979 C GLY A 145 117.950 -11.791 -8.014 1.00 0.00 C ATOM 1980 O GLY A 145 117.731 -12.512 -8.969 1.00 0.00 O ATOM 0 H GLY A 145 116.226 -10.694 -9.538 1.00 0.00 H new ATOM 0 HA2 GLY A 145 117.400 -10.002 -6.936 1.00 0.00 H new ATOM 0 HA3 GLY A 145 116.204 -11.280 -6.851 1.00 0.00 H new ATOM 1983 N TYR A 146 119.078 -11.852 -7.351 1.00 0.00 N ATOM 1984 CA TYR A 146 120.148 -12.818 -7.748 1.00 0.00 C ATOM 1985 C TYR A 146 120.664 -13.558 -6.507 1.00 0.00 C ATOM 1986 O TYR A 146 120.558 -13.069 -5.399 1.00 0.00 O ATOM 1987 CB TYR A 146 121.255 -11.962 -8.365 1.00 0.00 C ATOM 1988 CG TYR A 146 120.736 -11.289 -9.615 1.00 0.00 C ATOM 1989 CD1 TYR A 146 120.766 -11.968 -10.839 1.00 0.00 C ATOM 1990 CD2 TYR A 146 120.228 -9.987 -9.550 1.00 0.00 C ATOM 1991 CE1 TYR A 146 120.287 -11.346 -11.998 1.00 0.00 C ATOM 1992 CE2 TYR A 146 119.749 -9.364 -10.709 1.00 0.00 C ATOM 1993 CZ TYR A 146 119.779 -10.043 -11.932 1.00 0.00 C ATOM 1994 OH TYR A 146 119.307 -9.428 -13.074 1.00 0.00 O ATOM 0 H TYR A 146 119.305 -11.269 -6.545 1.00 0.00 H new ATOM 0 HA TYR A 146 119.789 -13.573 -8.448 1.00 0.00 H new ATOM 0 HB2 TYR A 146 121.591 -11.212 -7.649 1.00 0.00 H new ATOM 0 HB3 TYR A 146 122.118 -12.583 -8.605 1.00 0.00 H new ATOM 0 HD1 TYR A 146 121.159 -12.973 -10.889 1.00 0.00 H new ATOM 0 HD2 TYR A 146 120.205 -9.463 -8.606 1.00 0.00 H new ATOM 0 HE1 TYR A 146 120.309 -11.871 -12.942 1.00 0.00 H new ATOM 0 HE2 TYR A 146 119.356 -8.359 -10.659 1.00 0.00 H new ATOM 0 HH TYR A 146 118.989 -8.528 -12.853 1.00 0.00 H new ATOM 2003 N ARG A 147 121.222 -14.728 -6.684 1.00 0.00 N ATOM 2004 CA ARG A 147 121.743 -15.488 -5.506 1.00 0.00 C ATOM 2005 C ARG A 147 123.144 -16.051 -5.782 1.00 0.00 C ATOM 2006 O ARG A 147 123.358 -16.771 -6.738 1.00 0.00 O ATOM 2007 CB ARG A 147 120.731 -16.617 -5.278 1.00 0.00 C ATOM 2008 CG ARG A 147 120.713 -17.564 -6.482 1.00 0.00 C ATOM 2009 CD ARG A 147 119.524 -18.518 -6.362 1.00 0.00 C ATOM 2010 NE ARG A 147 119.685 -19.478 -7.489 1.00 0.00 N ATOM 2011 CZ ARG A 147 120.481 -20.504 -7.365 1.00 0.00 C ATOM 2012 NH1 ARG A 147 120.371 -21.293 -6.331 1.00 0.00 N ATOM 2013 NH2 ARG A 147 121.387 -20.741 -8.273 1.00 0.00 N ATOM 0 H ARG A 147 121.339 -15.188 -7.587 1.00 0.00 H new ATOM 0 HA ARG A 147 121.846 -14.850 -4.628 1.00 0.00 H new ATOM 0 HB2 ARG A 147 120.990 -17.170 -4.375 1.00 0.00 H new ATOM 0 HB3 ARG A 147 119.737 -16.198 -5.121 1.00 0.00 H new ATOM 0 HG2 ARG A 147 120.642 -16.992 -7.407 1.00 0.00 H new ATOM 0 HG3 ARG A 147 121.644 -18.130 -6.527 1.00 0.00 H new ATOM 0 HD2 ARG A 147 119.527 -19.033 -5.401 1.00 0.00 H new ATOM 0 HD3 ARG A 147 118.578 -17.981 -6.433 1.00 0.00 H new ATOM 0 HE ARG A 147 119.172 -19.333 -8.359 1.00 0.00 H new ATOM 0 HH11 ARG A 147 119.663 -21.107 -5.621 1.00 0.00 H new ATOM 0 HH12 ARG A 147 120.993 -22.095 -6.233 1.00 0.00 H new ATOM 0 HH21 ARG A 147 121.473 -20.124 -9.081 1.00 0.00 H new ATOM 0 HH22 ARG A 147 122.009 -21.543 -8.175 1.00 0.00 H new ATOM 2024 N PHE A 148 124.101 -15.722 -4.948 1.00 0.00 N ATOM 2025 CA PHE A 148 125.487 -16.236 -5.157 1.00 0.00 C ATOM 2026 C PHE A 148 126.200 -16.413 -3.811 1.00 0.00 C ATOM 2027 CB PHE A 148 126.184 -15.168 -6.009 1.00 0.00 C ATOM 2028 CG PHE A 148 126.229 -13.855 -5.259 1.00 0.00 C ATOM 2029 CD1 PHE A 148 125.133 -12.985 -5.305 1.00 0.00 C ATOM 2030 CD2 PHE A 148 127.366 -13.512 -4.519 1.00 0.00 C ATOM 2031 CE1 PHE A 148 125.177 -11.769 -4.609 1.00 0.00 C ATOM 2032 CE2 PHE A 148 127.410 -12.297 -3.825 1.00 0.00 C ATOM 2033 CZ PHE A 148 126.315 -11.427 -3.869 1.00 0.00 C ATOM 0 H PHE A 148 123.980 -15.120 -4.133 1.00 0.00 H new ATOM 0 HA PHE A 148 125.496 -17.211 -5.644 1.00 0.00 H new ATOM 0 HB2 PHE A 148 127.196 -15.491 -6.255 1.00 0.00 H new ATOM 0 HB3 PHE A 148 125.652 -15.039 -6.952 1.00 0.00 H new ATOM 0 HD1 PHE A 148 124.255 -13.250 -5.876 1.00 0.00 H new ATOM 0 HD2 PHE A 148 128.210 -14.185 -4.483 1.00 0.00 H new ATOM 0 HE1 PHE A 148 124.333 -11.096 -4.644 1.00 0.00 H new ATOM 0 HE2 PHE A 148 128.289 -12.031 -3.256 1.00 0.00 H new ATOM 0 HZ PHE A 148 126.348 -10.491 -3.332 1.00 0.00 H new