USER MOD reduce.3.24.130724 H: found=0, std=0, add=924, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 924 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 124 HIS :FLIP no HD1:sc= -1.16 F(o=-2,f=-1.2) USER MOD Set 1.2: A 125 HIS :FLIP no HD1:sc= -0.0315 X(o=-1.3,f=-1.2) USER MOD Set 2.1: A 103 THR OG1 : rot -7:sc= 0.379 USER MOD Set 2.2: A 105 GLN : amide:sc= -0.0398 K(o=0.34,f=-0.26) USER MOD Set 3.1: A 95 GLN : amide:sc= -0.202 X(o=0.51,f=0.71) USER MOD Set 3.2: A 97 ASN : amide:sc= 0.00715! X(o=0.51!,f=0.71) USER MOD Set 3.3: A 108 THR OG1 : rot -82:sc= 0.7 USER MOD Set 3.4: A 110 GLN : amide:sc= 0 X(o=0.51,f=0.71) USER MOD Set 4.1: A 56 GLN : amide:sc= -2 X(o=-2.4,f=-2.3) USER MOD Set 4.2: A 116 ASN : amide:sc= -0.361 K(o=-2.4,f=-3.6) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl -117:sc= 0 (180deg=-3.7!) USER MOD Single : A 6 THR OG1 : rot 43:sc= 0.0314 USER MOD Single : A 8 GLN : amide:sc= -0.258 K(o=-0.26,f=-1.1) USER MOD Single : A 11 ASN : amide:sc= 0 X(o=0,f=0.014) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 ASN : amide:sc= -0.0112 K(o=-0.011,f=-2!) USER MOD Single : A 19 ASN : amide:sc= -0.894 K(o=-0.89,f=-1.5) USER MOD Single : A 20 ASN : amide:sc= -0.526 X(o=-0.53,f=-0.11) USER MOD Single : A 26 ASN :FLIP amide:sc= -0.053 F(o=-1.3!,f=-0.053) USER MOD Single : A 27 SER OG : rot -90:sc= 1.36 USER MOD Single : A 29 GLN : amide:sc=-0.00398 K(o=-0.004,f=-1.4) USER MOD Single : A 31 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.2) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc=-0.00996 K(o=-0.01,f=-0.98) USER MOD Single : A 47 THR OG1 : rot 180:sc= -0.13 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 55 THR OG1 : rot -160:sc= -0.324 USER MOD Single : A 59 GLN : amide:sc= 0.935 K(o=0.93,f=-0.43) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= -0.298 K(o=-0.3,f=-1.6!) USER MOD Single : A 68 SER OG : rot 75:sc= -0.327 USER MOD Single : A 69 ASN : amide:sc= -0.023 K(o=-0.023,f=-3.3!) USER MOD Single : A 71 ASN : amide:sc= -0.771 K(o=-0.77,f=-2.4!) USER MOD Single : A 72 THR OG1 : rot -12:sc= 0.925 USER MOD Single : A 74 LYS NZ :NH3+ -170:sc= 1.05 (180deg=0.563) USER MOD Single : A 78 MET CE :methyl -158:sc= -0.197 (180deg=-0.824) USER MOD Single : A 80 THR OG1 : rot 50:sc= 1.2 USER MOD Single : A 81 ASN :FLIP amide:sc=-0.00446 F(o=-1.1,f=-0.0045) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 ASN :FLIP amide:sc=-0.00346 F(o=-0.59,f=-0.0035) USER MOD Single : A 93 GLN :FLIP amide:sc= 0 F(o=-1.7!,f=0) USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -163:sc= 1.26 (180deg=1.11) USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 ASN : amide:sc=-0.00093 K(o=-0.00093,f=-0.96) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 119 THR OG1 : rot 180:sc=-0.000964 USER MOD Single : A 122 HIS : no HE2:sc= 1.18 K(o=1.2,f=-3.6!) USER MOD Single : A 123 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 126 HIS : no HD1:sc= -0.064 X(o=-0.064,f=-0.072) USER MOD Single : A 127 HIS : no HD1:sc= 0 X(o=0,f=-0.0079) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 45.898 117.282 -40.945 1.00 0.00 N ATOM 2 CA MET A 1 46.919 118.282 -41.329 1.00 52.33 C ATOM 3 C MET A 1 47.473 117.954 -42.709 1.00 71.33 C ATOM 4 O MET A 1 47.883 116.819 -42.954 1.00 1.24 O ATOM 5 CB MET A 1 48.053 118.308 -40.296 1.00 2.44 C ATOM 6 CG MET A 1 48.984 119.500 -40.438 1.00 75.50 C ATOM 7 SD MET A 1 50.257 119.541 -39.159 1.00 21.34 S ATOM 8 CE MET A 1 50.972 121.155 -39.460 1.00 13.04 C ATOM 0 H1 MET A 1 45.524 117.512 -40.002 1.00 0.00 H new ATOM 0 H2 MET A 1 45.122 117.294 -41.638 1.00 0.00 H new ATOM 0 H3 MET A 1 46.329 116.336 -40.925 1.00 0.00 H new ATOM 0 HA MET A 1 46.454 119.267 -41.359 1.00 52.33 H new ATOM 0 HB2 MET A 1 47.621 118.314 -39.295 1.00 2.44 H new ATOM 0 HB3 MET A 1 48.635 117.391 -40.386 1.00 2.44 H new ATOM 0 HG2 MET A 1 49.460 119.470 -41.418 1.00 75.50 H new ATOM 0 HG3 MET A 1 48.400 120.420 -40.395 1.00 75.50 H new ATOM 0 HE1 MET A 1 51.778 121.334 -38.748 1.00 13.04 H new ATOM 0 HE2 MET A 1 51.368 121.194 -40.475 1.00 13.04 H new ATOM 0 HE3 MET A 1 50.205 121.921 -39.340 1.00 13.04 H new ATOM 20 N ALA A 2 47.473 118.955 -43.599 1.00 12.30 N ATOM 21 CA ALA A 2 47.907 118.788 -44.991 1.00 21.34 C ATOM 22 C ALA A 2 46.962 117.863 -45.755 1.00 14.20 C ATOM 23 O ALA A 2 46.950 116.649 -45.547 1.00 72.13 O ATOM 24 CB ALA A 2 49.342 118.279 -45.068 1.00 74.23 C ATOM 0 H ALA A 2 47.172 119.903 -43.374 1.00 12.30 H new ATOM 0 HA ALA A 2 47.875 119.770 -45.464 1.00 21.34 H new ATOM 0 HB1 ALA A 2 49.632 118.166 -46.113 1.00 74.23 H new ATOM 0 HB2 ALA A 2 50.008 118.992 -44.581 1.00 74.23 H new ATOM 0 HB3 ALA A 2 49.413 117.314 -44.565 1.00 74.23 H new ATOM 30 N GLY A 3 46.173 118.450 -46.646 1.00 50.23 N ATOM 31 CA GLY A 3 45.180 117.695 -47.392 1.00 65.14 C ATOM 32 C GLY A 3 45.780 116.844 -48.498 1.00 23.21 C ATOM 33 O GLY A 3 45.065 116.102 -49.172 1.00 32.24 O ATOM 0 H GLY A 3 46.203 119.445 -46.868 1.00 50.23 H new ATOM 0 HA2 GLY A 3 44.631 117.051 -46.705 1.00 65.14 H new ATOM 0 HA3 GLY A 3 44.458 118.387 -47.826 1.00 65.14 H new ATOM 37 N THR A 4 47.087 116.954 -48.695 1.00 43.32 N ATOM 38 CA THR A 4 47.774 116.159 -49.702 1.00 31.21 C ATOM 39 C THR A 4 47.810 114.685 -49.295 1.00 2.41 C ATOM 40 O THR A 4 48.585 114.289 -48.421 1.00 63.23 O ATOM 41 CB THR A 4 49.211 116.667 -49.928 1.00 4.31 C ATOM 42 OG1 THR A 4 49.188 118.080 -50.192 1.00 72.25 O ATOM 43 CG2 THR A 4 49.867 115.944 -51.095 1.00 71.44 C ATOM 0 H THR A 4 47.692 117.586 -48.171 1.00 43.32 H new ATOM 0 HA THR A 4 47.218 116.260 -50.634 1.00 31.21 H new ATOM 0 HB THR A 4 49.791 116.468 -49.027 1.00 4.31 H new ATOM 0 HG1 THR A 4 50.103 118.401 -50.334 1.00 72.25 H new ATOM 0 HG21 THR A 4 50.880 116.321 -51.233 1.00 71.44 H new ATOM 0 HG22 THR A 4 49.903 114.875 -50.887 1.00 71.44 H new ATOM 0 HG23 THR A 4 49.288 116.118 -52.002 1.00 71.44 H new ATOM 51 N MET A 5 46.954 113.886 -49.920 1.00 11.31 N ATOM 52 CA MET A 5 46.861 112.465 -49.614 1.00 75.43 C ATOM 53 C MET A 5 46.510 111.684 -50.873 1.00 15.13 C ATOM 54 O MET A 5 45.366 111.713 -51.332 1.00 24.32 O ATOM 55 CB MET A 5 45.798 112.235 -48.536 1.00 22.24 C ATOM 56 CG MET A 5 45.758 110.817 -47.997 1.00 23.44 C ATOM 57 SD MET A 5 44.448 110.589 -46.777 1.00 11.43 S ATOM 58 CE MET A 5 44.832 108.952 -46.164 1.00 45.42 C ATOM 0 H MET A 5 46.311 114.201 -50.646 1.00 11.31 H new ATOM 0 HA MET A 5 47.824 112.116 -49.242 1.00 75.43 H new ATOM 0 HB2 MET A 5 45.980 112.921 -47.709 1.00 22.24 H new ATOM 0 HB3 MET A 5 44.820 112.484 -48.947 1.00 22.24 H new ATOM 0 HG2 MET A 5 45.609 110.120 -48.822 1.00 23.44 H new ATOM 0 HG3 MET A 5 46.720 110.575 -47.545 1.00 23.44 H new ATOM 0 HE1 MET A 5 44.009 108.275 -46.394 1.00 45.42 H new ATOM 0 HE2 MET A 5 45.743 108.590 -46.640 1.00 45.42 H new ATOM 0 HE3 MET A 5 44.978 108.993 -45.085 1.00 45.42 H new ATOM 68 N THR A 6 47.494 111.004 -51.442 1.00 41.42 N ATOM 69 CA THR A 6 47.298 110.282 -52.689 1.00 43.12 C ATOM 70 C THR A 6 47.716 108.820 -52.559 1.00 64.43 C ATOM 71 O THR A 6 48.816 108.515 -52.101 1.00 60.42 O ATOM 72 CB THR A 6 48.081 110.943 -53.840 1.00 74.21 C ATOM 73 OG1 THR A 6 49.441 111.165 -53.449 1.00 54.11 O ATOM 74 CG2 THR A 6 47.444 112.264 -54.241 1.00 62.12 C ATOM 0 H THR A 6 48.437 110.937 -51.059 1.00 41.42 H new ATOM 0 HA THR A 6 46.233 110.320 -52.917 1.00 43.12 H new ATOM 0 HB THR A 6 48.056 110.269 -54.696 1.00 74.21 H new ATOM 0 HG1 THR A 6 49.780 110.374 -52.980 1.00 54.11 H new ATOM 0 HG21 THR A 6 48.015 112.711 -55.055 1.00 62.12 H new ATOM 0 HG22 THR A 6 46.420 112.089 -54.570 1.00 62.12 H new ATOM 0 HG23 THR A 6 47.440 112.940 -53.386 1.00 62.12 H new ATOM 82 N PHE A 7 46.831 107.923 -52.969 1.00 42.33 N ATOM 83 CA PHE A 7 47.099 106.496 -52.901 1.00 74.33 C ATOM 84 C PHE A 7 47.471 105.949 -54.268 1.00 63.13 C ATOM 85 O PHE A 7 48.455 105.217 -54.401 1.00 64.35 O ATOM 86 CB PHE A 7 45.880 105.734 -52.379 1.00 24.13 C ATOM 87 CG PHE A 7 45.628 105.905 -50.910 1.00 71.12 C ATOM 88 CD1 PHE A 7 46.326 105.144 -49.988 1.00 75.04 C ATOM 89 CD2 PHE A 7 44.684 106.810 -50.453 1.00 54.44 C ATOM 90 CE1 PHE A 7 46.091 105.286 -48.636 1.00 24.44 C ATOM 91 CE2 PHE A 7 44.447 106.956 -49.101 1.00 13.11 C ATOM 92 CZ PHE A 7 45.150 106.193 -48.191 1.00 63.23 C ATOM 0 H PHE A 7 45.917 108.161 -53.354 1.00 42.33 H new ATOM 0 HA PHE A 7 47.934 106.356 -52.214 1.00 74.33 H new ATOM 0 HB2 PHE A 7 44.998 106.063 -52.928 1.00 24.13 H new ATOM 0 HB3 PHE A 7 46.010 104.673 -52.592 1.00 24.13 H new ATOM 0 HD1 PHE A 7 47.062 104.432 -50.331 1.00 75.04 H new ATOM 0 HD2 PHE A 7 44.128 107.407 -51.161 1.00 54.44 H new ATOM 0 HE1 PHE A 7 46.643 104.688 -47.926 1.00 24.44 H new ATOM 0 HE2 PHE A 7 43.711 107.667 -48.755 1.00 13.11 H new ATOM 0 HZ PHE A 7 44.964 106.305 -47.133 1.00 63.23 H new ATOM 102 N GLN A 8 46.683 106.316 -55.279 1.00 31.11 N ATOM 103 CA GLN A 8 46.810 105.735 -56.614 1.00 22.32 C ATOM 104 C GLN A 8 46.596 104.230 -56.529 1.00 73.41 C ATOM 105 O GLN A 8 47.363 103.438 -57.080 1.00 70.13 O ATOM 106 CB GLN A 8 48.177 106.052 -57.232 1.00 44.31 C ATOM 107 CG GLN A 8 48.395 107.531 -57.506 1.00 2.34 C ATOM 108 CD GLN A 8 47.336 108.115 -58.422 1.00 35.43 C ATOM 109 OE1 GLN A 8 46.767 107.417 -59.261 1.00 50.31 O ATOM 110 NE2 GLN A 8 47.071 109.403 -58.277 1.00 14.45 N ATOM 0 H GLN A 8 45.946 107.017 -55.197 1.00 31.11 H new ATOM 0 HA GLN A 8 46.051 106.174 -57.261 1.00 22.32 H new ATOM 0 HB2 GLN A 8 48.960 105.696 -56.562 1.00 44.31 H new ATOM 0 HB3 GLN A 8 48.281 105.499 -58.166 1.00 44.31 H new ATOM 0 HG2 GLN A 8 48.395 108.076 -56.562 1.00 2.34 H new ATOM 0 HG3 GLN A 8 49.378 107.673 -57.956 1.00 2.34 H new ATOM 0 HE21 GLN A 8 47.564 109.949 -57.570 1.00 14.45 H new ATOM 0 HE22 GLN A 8 46.374 109.850 -58.872 1.00 14.45 H new ATOM 119 N PHE A 9 45.538 103.851 -55.829 1.00 73.24 N ATOM 120 CA PHE A 9 45.258 102.455 -55.546 1.00 4.13 C ATOM 121 C PHE A 9 44.436 101.839 -56.676 1.00 32.53 C ATOM 122 O PHE A 9 43.667 102.532 -57.346 1.00 20.24 O ATOM 123 CB PHE A 9 44.516 102.340 -54.212 1.00 55.13 C ATOM 124 CG PHE A 9 44.582 100.975 -53.592 1.00 3.12 C ATOM 125 CD1 PHE A 9 45.748 100.533 -52.989 1.00 54.02 C ATOM 126 CD2 PHE A 9 43.479 100.139 -53.601 1.00 53.11 C ATOM 127 CE1 PHE A 9 45.814 99.279 -52.412 1.00 4.52 C ATOM 128 CE2 PHE A 9 43.541 98.885 -53.027 1.00 31.40 C ATOM 129 CZ PHE A 9 44.708 98.455 -52.430 1.00 63.11 C ATOM 0 H PHE A 9 44.853 104.501 -55.443 1.00 73.24 H new ATOM 0 HA PHE A 9 46.198 101.908 -55.474 1.00 4.13 H new ATOM 0 HB2 PHE A 9 44.932 103.066 -53.513 1.00 55.13 H new ATOM 0 HB3 PHE A 9 43.471 102.608 -54.365 1.00 55.13 H new ATOM 0 HD1 PHE A 9 46.616 101.176 -52.970 1.00 54.02 H new ATOM 0 HD2 PHE A 9 42.560 100.471 -54.062 1.00 53.11 H new ATOM 0 HE1 PHE A 9 46.730 98.945 -51.948 1.00 4.52 H new ATOM 0 HE2 PHE A 9 42.675 98.240 -53.045 1.00 31.40 H new ATOM 0 HZ PHE A 9 44.755 97.475 -51.978 1.00 63.11 H new ATOM 139 N ARG A 10 44.602 100.540 -56.879 1.00 62.51 N ATOM 140 CA ARG A 10 43.938 99.842 -57.972 1.00 44.32 C ATOM 141 C ARG A 10 42.880 98.875 -57.455 1.00 21.34 C ATOM 142 O ARG A 10 42.862 98.533 -56.274 1.00 35.21 O ATOM 143 CB ARG A 10 44.966 99.083 -58.815 1.00 21.20 C ATOM 144 CG ARG A 10 46.036 98.387 -57.985 1.00 72.03 C ATOM 145 CD ARG A 10 46.896 97.463 -58.831 1.00 53.43 C ATOM 146 NE ARG A 10 48.189 97.196 -58.205 1.00 61.25 N ATOM 147 CZ ARG A 10 48.453 96.142 -57.431 1.00 52.03 C ATOM 148 NH1 ARG A 10 47.489 95.292 -57.093 1.00 11.40 N1+ ATOM 149 NH2 ARG A 10 49.685 95.956 -56.973 1.00 60.33 N ATOM 0 H ARG A 10 45.193 99.945 -56.299 1.00 62.51 H new ATOM 0 HA ARG A 10 43.441 100.590 -58.590 1.00 44.32 H new ATOM 0 HB2 ARG A 10 44.449 98.341 -59.423 1.00 21.20 H new ATOM 0 HB3 ARG A 10 45.446 99.780 -59.502 1.00 21.20 H new ATOM 0 HG2 ARG A 10 46.668 99.135 -57.507 1.00 72.03 H new ATOM 0 HG3 ARG A 10 45.562 97.814 -57.188 1.00 72.03 H new ATOM 0 HD2 ARG A 10 46.369 96.522 -58.991 1.00 53.43 H new ATOM 0 HD3 ARG A 10 47.053 97.911 -59.812 1.00 53.43 H new ATOM 0 HE ARG A 10 48.943 97.863 -58.372 1.00 61.25 H new ATOM 0 HH11 ARG A 10 46.537 95.442 -57.426 1.00 11.40 H new ATOM 0 HH12 ARG A 10 47.701 94.489 -56.501 1.00 11.40 H new ATOM 0 HH21 ARG A 10 50.424 96.617 -57.213 1.00 60.33 H new ATOM 0 HH22 ARG A 10 49.893 95.152 -56.381 1.00 60.33 H new ATOM 163 N ASN A 11 42.001 98.442 -58.347 1.00 4.11 N ATOM 164 CA ASN A 11 40.993 97.443 -58.014 1.00 44.33 C ATOM 165 C ASN A 11 40.848 96.459 -59.169 1.00 62.55 C ATOM 166 O ASN A 11 40.032 96.662 -60.069 1.00 3.33 O ATOM 167 CB ASN A 11 39.643 98.098 -57.708 1.00 42.41 C ATOM 168 CG ASN A 11 38.609 97.105 -57.201 1.00 62.50 C ATOM 169 OD1 ASN A 11 37.890 96.477 -57.982 1.00 63.14 O ATOM 170 ND2 ASN A 11 38.523 96.967 -55.888 1.00 43.24 N ATOM 0 H ASN A 11 41.965 98.768 -59.313 1.00 4.11 H new ATOM 0 HA ASN A 11 41.317 96.911 -57.120 1.00 44.33 H new ATOM 0 HB2 ASN A 11 39.784 98.881 -56.963 1.00 42.41 H new ATOM 0 HB3 ASN A 11 39.266 98.581 -58.610 1.00 42.41 H new ATOM 0 HD21 ASN A 11 37.843 96.322 -55.486 1.00 43.24 H new ATOM 0 HD22 ASN A 11 39.137 97.506 -55.277 1.00 43.24 H new ATOM 177 N PRO A 12 41.687 95.414 -59.190 1.00 71.33 N ATOM 178 CA PRO A 12 41.705 94.426 -60.274 1.00 34.14 C ATOM 179 C PRO A 12 40.452 93.556 -60.298 1.00 51.42 C ATOM 180 O PRO A 12 39.866 93.344 -61.361 1.00 63.23 O ATOM 181 CB PRO A 12 42.947 93.570 -59.973 1.00 5.44 C ATOM 182 CG PRO A 12 43.716 94.334 -58.949 1.00 13.40 C ATOM 183 CD PRO A 12 42.701 95.116 -58.171 1.00 22.12 C ATOM 0 HA PRO A 12 41.733 94.908 -61.251 1.00 34.14 H new ATOM 0 HB2 PRO A 12 42.665 92.586 -59.599 1.00 5.44 H new ATOM 0 HB3 PRO A 12 43.542 93.410 -60.873 1.00 5.44 H new ATOM 0 HG2 PRO A 12 44.274 93.661 -58.297 1.00 13.40 H new ATOM 0 HG3 PRO A 12 44.442 94.997 -59.420 1.00 13.40 H new ATOM 0 HD2 PRO A 12 42.289 94.538 -57.344 1.00 22.12 H new ATOM 0 HD3 PRO A 12 43.127 96.024 -57.744 1.00 22.12 H new ATOM 191 N ASN A 13 40.048 93.078 -59.116 1.00 41.30 N ATOM 192 CA ASN A 13 38.898 92.173 -58.964 1.00 75.43 C ATOM 193 C ASN A 13 39.216 90.799 -59.558 1.00 53.44 C ATOM 194 O ASN A 13 39.421 90.658 -60.765 1.00 60.03 O ATOM 195 CB ASN A 13 37.628 92.768 -59.599 1.00 5.35 C ATOM 196 CG ASN A 13 36.381 91.942 -59.317 1.00 12.51 C ATOM 197 OD1 ASN A 13 35.716 92.131 -58.299 1.00 74.54 O ATOM 198 ND2 ASN A 13 36.035 91.047 -60.229 1.00 31.22 N ATOM 0 H ASN A 13 40.508 93.307 -58.235 1.00 41.30 H new ATOM 0 HA ASN A 13 38.704 92.051 -57.898 1.00 75.43 H new ATOM 0 HB2 ASN A 13 37.480 93.780 -59.223 1.00 5.35 H new ATOM 0 HB3 ASN A 13 37.770 92.846 -60.677 1.00 5.35 H new ATOM 0 HD21 ASN A 13 35.192 90.487 -60.100 1.00 31.22 H new ATOM 0 HD22 ASN A 13 36.611 90.918 -61.061 1.00 31.22 H new ATOM 205 N PHE A 14 39.262 89.788 -58.700 1.00 62.35 N ATOM 206 CA PHE A 14 39.653 88.442 -59.116 1.00 0.14 C ATOM 207 C PHE A 14 38.519 87.741 -59.861 1.00 75.23 C ATOM 208 O PHE A 14 37.380 88.209 -59.859 1.00 23.43 O ATOM 209 CB PHE A 14 40.079 87.615 -57.902 1.00 41.22 C ATOM 210 CG PHE A 14 41.224 88.220 -57.139 1.00 21.33 C ATOM 211 CD1 PHE A 14 41.003 88.876 -55.937 1.00 5.43 C ATOM 212 CD2 PHE A 14 42.518 88.138 -57.624 1.00 23.12 C ATOM 213 CE1 PHE A 14 42.053 89.435 -55.233 1.00 32.32 C ATOM 214 CE2 PHE A 14 43.572 88.696 -56.924 1.00 54.41 C ATOM 215 CZ PHE A 14 43.339 89.344 -55.726 1.00 3.14 C ATOM 0 H PHE A 14 39.033 89.872 -57.709 1.00 62.35 H new ATOM 0 HA PHE A 14 40.498 88.533 -59.798 1.00 0.14 H new ATOM 0 HB2 PHE A 14 39.226 87.500 -57.233 1.00 41.22 H new ATOM 0 HB3 PHE A 14 40.361 86.616 -58.233 1.00 41.22 H new ATOM 0 HD1 PHE A 14 39.999 88.951 -55.547 1.00 5.43 H new ATOM 0 HD2 PHE A 14 42.706 87.633 -58.560 1.00 23.12 H new ATOM 0 HE1 PHE A 14 41.867 89.943 -54.298 1.00 32.32 H new ATOM 0 HE2 PHE A 14 44.577 88.625 -57.313 1.00 54.41 H new ATOM 0 HZ PHE A 14 44.161 89.778 -55.177 1.00 3.14 H new ATOM 225 N GLY A 15 38.829 86.607 -60.475 1.00 54.15 N ATOM 226 CA GLY A 15 37.853 85.915 -61.294 1.00 71.23 C ATOM 227 C GLY A 15 37.119 84.827 -60.536 1.00 65.22 C ATOM 228 O GLY A 15 37.578 84.370 -59.487 1.00 42.44 O ATOM 0 H GLY A 15 39.741 86.153 -60.420 1.00 54.15 H new ATOM 0 HA2 GLY A 15 37.131 86.635 -61.678 1.00 71.23 H new ATOM 0 HA3 GLY A 15 38.354 85.476 -62.157 1.00 71.23 H new ATOM 232 N GLY A 16 35.978 84.419 -61.069 1.00 14.53 N ATOM 233 CA GLY A 16 35.192 83.376 -60.443 1.00 0.24 C ATOM 234 C GLY A 16 35.786 81.998 -60.650 1.00 22.35 C ATOM 235 O GLY A 16 36.416 81.445 -59.748 1.00 73.33 O ATOM 0 H GLY A 16 35.580 84.794 -61.930 1.00 14.53 H new ATOM 0 HA2 GLY A 16 35.113 83.577 -59.375 1.00 0.24 H new ATOM 0 HA3 GLY A 16 34.180 83.396 -60.847 1.00 0.24 H new ATOM 239 N ASN A 17 35.591 81.447 -61.837 1.00 43.33 N ATOM 240 CA ASN A 17 36.082 80.114 -62.153 1.00 1.12 C ATOM 241 C ASN A 17 37.359 80.190 -62.982 1.00 62.33 C ATOM 242 O ASN A 17 37.519 81.090 -63.811 1.00 61.32 O ATOM 243 CB ASN A 17 35.024 79.316 -62.923 1.00 21.55 C ATOM 244 CG ASN A 17 33.830 78.918 -62.077 1.00 72.14 C ATOM 245 OD1 ASN A 17 33.468 79.594 -61.112 1.00 51.22 O ATOM 246 ND2 ASN A 17 33.206 77.811 -62.438 1.00 0.34 N ATOM 0 H ASN A 17 35.094 81.904 -62.601 1.00 43.33 H new ATOM 0 HA ASN A 17 36.298 79.609 -61.212 1.00 1.12 H new ATOM 0 HB2 ASN A 17 34.678 79.910 -63.769 1.00 21.55 H new ATOM 0 HB3 ASN A 17 35.485 78.417 -63.332 1.00 21.55 H new ATOM 0 HD21 ASN A 17 32.394 77.488 -61.912 1.00 0.34 H new ATOM 0 HD22 ASN A 17 33.536 77.279 -63.243 1.00 0.34 H new ATOM 253 N PRO A 18 38.293 79.253 -62.759 1.00 24.35 N ATOM 254 CA PRO A 18 39.530 79.163 -63.536 1.00 21.23 C ATOM 255 C PRO A 18 39.287 78.576 -64.928 1.00 14.44 C ATOM 256 O PRO A 18 39.624 79.188 -65.943 1.00 61.41 O ATOM 257 CB PRO A 18 40.422 78.223 -62.705 1.00 45.30 C ATOM 258 CG PRO A 18 39.687 77.975 -61.427 1.00 32.23 C ATOM 259 CD PRO A 18 38.238 78.222 -61.717 1.00 15.21 C ATOM 0 HA PRO A 18 39.976 80.143 -63.705 1.00 21.23 H new ATOM 0 HB2 PRO A 18 40.605 77.289 -63.236 1.00 45.30 H new ATOM 0 HB3 PRO A 18 41.394 78.677 -62.513 1.00 45.30 H new ATOM 0 HG2 PRO A 18 39.845 76.954 -61.080 1.00 32.23 H new ATOM 0 HG3 PRO A 18 40.044 78.638 -60.639 1.00 32.23 H new ATOM 0 HD2 PRO A 18 37.735 77.320 -62.065 1.00 15.21 H new ATOM 0 HD3 PRO A 18 37.700 78.566 -60.834 1.00 15.21 H new ATOM 267 N ASN A 19 38.685 77.392 -64.957 1.00 23.42 N ATOM 268 CA ASN A 19 38.368 76.688 -66.197 1.00 64.52 C ATOM 269 C ASN A 19 37.485 75.489 -65.861 1.00 63.24 C ATOM 270 O ASN A 19 37.318 75.176 -64.680 1.00 74.52 O ATOM 271 CB ASN A 19 39.658 76.227 -66.904 1.00 34.52 C ATOM 272 CG ASN A 19 39.415 75.661 -68.296 1.00 65.20 C ATOM 273 OD1 ASN A 19 39.218 74.456 -68.471 1.00 30.24 O ATOM 274 ND2 ASN A 19 39.432 76.526 -69.297 1.00 44.43 N ATOM 0 H ASN A 19 38.401 76.889 -64.116 1.00 23.42 H new ATOM 0 HA ASN A 19 37.840 77.358 -66.875 1.00 64.52 H new ATOM 0 HB2 ASN A 19 40.345 77.070 -66.978 1.00 34.52 H new ATOM 0 HB3 ASN A 19 40.148 75.470 -66.292 1.00 34.52 H new ATOM 0 HD21 ASN A 19 39.279 76.203 -70.252 1.00 44.43 H new ATOM 0 HD22 ASN A 19 39.598 77.515 -69.113 1.00 44.43 H new ATOM 281 N ASN A 20 36.920 74.847 -66.885 1.00 0.34 N ATOM 282 CA ASN A 20 36.080 73.655 -66.722 1.00 2.02 C ATOM 283 C ASN A 20 34.717 74.023 -66.163 1.00 40.34 C ATOM 284 O ASN A 20 34.599 74.477 -65.025 1.00 74.24 O ATOM 285 CB ASN A 20 36.761 72.607 -65.832 1.00 1.51 C ATOM 286 CG ASN A 20 35.922 71.355 -65.653 1.00 51.11 C ATOM 287 OD1 ASN A 20 35.117 71.256 -64.726 1.00 52.43 O ATOM 288 ND2 ASN A 20 36.114 70.386 -66.531 1.00 2.01 N ATOM 0 H ASN A 20 37.032 75.139 -67.856 1.00 0.34 H new ATOM 0 HA ASN A 20 35.940 73.216 -67.710 1.00 2.02 H new ATOM 0 HB2 ASN A 20 37.722 72.336 -66.268 1.00 1.51 H new ATOM 0 HB3 ASN A 20 36.966 73.044 -64.855 1.00 1.51 H new ATOM 0 HD21 ASN A 20 35.586 69.517 -66.455 1.00 2.01 H new ATOM 0 HD22 ASN A 20 36.790 70.507 -67.285 1.00 2.01 H new ATOM 295 N GLY A 21 33.689 73.836 -66.972 1.00 62.44 N ATOM 296 CA GLY A 21 32.357 74.219 -66.569 1.00 13.55 C ATOM 297 C GLY A 21 31.350 73.106 -66.741 1.00 0.45 C ATOM 298 O GLY A 21 30.891 72.522 -65.761 1.00 25.41 O ATOM 0 H GLY A 21 33.754 73.425 -67.903 1.00 62.44 H new ATOM 0 HA2 GLY A 21 32.374 74.529 -65.524 1.00 13.55 H new ATOM 0 HA3 GLY A 21 32.040 75.083 -67.153 1.00 13.55 H new ATOM 302 N ALA A 22 31.014 72.798 -67.983 1.00 11.14 N ATOM 303 CA ALA A 22 29.979 71.817 -68.263 1.00 24.15 C ATOM 304 C ALA A 22 30.321 70.983 -69.489 1.00 21.32 C ATOM 305 O ALA A 22 30.951 71.469 -70.428 1.00 64.10 O ATOM 306 CB ALA A 22 28.644 72.515 -68.460 1.00 21.11 C ATOM 0 H ALA A 22 31.442 73.212 -68.811 1.00 11.14 H new ATOM 0 HA ALA A 22 29.912 71.143 -67.409 1.00 24.15 H new ATOM 0 HB1 ALA A 22 27.873 71.773 -68.669 1.00 21.11 H new ATOM 0 HB2 ALA A 22 28.383 73.064 -67.555 1.00 21.11 H new ATOM 0 HB3 ALA A 22 28.716 73.209 -69.297 1.00 21.11 H new ATOM 312 N PHE A 23 29.905 69.725 -69.468 1.00 32.04 N ATOM 313 CA PHE A 23 30.080 68.828 -70.603 1.00 53.22 C ATOM 314 C PHE A 23 28.759 68.147 -70.927 1.00 65.32 C ATOM 315 O PHE A 23 28.264 67.329 -70.151 1.00 62.34 O ATOM 316 CB PHE A 23 31.156 67.774 -70.317 1.00 65.22 C ATOM 317 CG PHE A 23 32.558 68.316 -70.355 1.00 71.25 C ATOM 318 CD1 PHE A 23 33.286 68.296 -71.534 1.00 53.43 C ATOM 319 CD2 PHE A 23 33.146 68.844 -69.217 1.00 21.43 C ATOM 320 CE1 PHE A 23 34.573 68.794 -71.578 1.00 0.12 C ATOM 321 CE2 PHE A 23 34.435 69.343 -69.256 1.00 3.24 C ATOM 322 CZ PHE A 23 35.149 69.318 -70.438 1.00 64.54 C ATOM 0 H PHE A 23 29.439 69.298 -68.668 1.00 32.04 H new ATOM 0 HA PHE A 23 30.406 69.419 -71.459 1.00 53.22 H new ATOM 0 HB2 PHE A 23 30.972 67.336 -69.336 1.00 65.22 H new ATOM 0 HB3 PHE A 23 31.067 66.969 -71.047 1.00 65.22 H new ATOM 0 HD1 PHE A 23 32.841 67.886 -72.429 1.00 53.43 H new ATOM 0 HD2 PHE A 23 32.592 68.866 -68.290 1.00 21.43 H new ATOM 0 HE1 PHE A 23 35.129 68.774 -72.504 1.00 0.12 H new ATOM 0 HE2 PHE A 23 34.883 69.752 -68.363 1.00 3.24 H new ATOM 0 HZ PHE A 23 36.156 69.708 -70.470 1.00 64.54 H new ATOM 332 N LEU A 24 28.178 68.511 -72.058 1.00 53.34 N ATOM 333 CA LEU A 24 26.897 67.958 -72.471 1.00 51.34 C ATOM 334 C LEU A 24 27.103 66.904 -73.556 1.00 45.44 C ATOM 335 O LEU A 24 28.234 66.472 -73.782 1.00 10.11 O ATOM 336 CB LEU A 24 25.956 69.067 -72.974 1.00 62.32 C ATOM 337 CG LEU A 24 25.446 70.050 -71.909 1.00 3.14 C ATOM 338 CD1 LEU A 24 26.523 71.053 -71.517 1.00 23.03 C ATOM 339 CD2 LEU A 24 24.200 70.769 -72.407 1.00 11.23 C ATOM 0 H LEU A 24 28.574 69.189 -72.709 1.00 53.34 H new ATOM 0 HA LEU A 24 26.433 67.487 -71.605 1.00 51.34 H new ATOM 0 HB2 LEU A 24 26.476 69.635 -73.746 1.00 62.32 H new ATOM 0 HB3 LEU A 24 25.095 68.598 -73.449 1.00 62.32 H new ATOM 0 HG LEU A 24 25.188 69.477 -71.018 1.00 3.14 H new ATOM 0 HD11 LEU A 24 26.129 71.733 -70.762 1.00 23.03 H new ATOM 0 HD12 LEU A 24 27.385 70.522 -71.113 1.00 23.03 H new ATOM 0 HD13 LEU A 24 26.827 71.622 -72.395 1.00 23.03 H new ATOM 0 HD21 LEU A 24 23.850 71.462 -71.642 1.00 11.23 H new ATOM 0 HD22 LEU A 24 24.438 71.321 -73.316 1.00 11.23 H new ATOM 0 HD23 LEU A 24 23.419 70.039 -72.620 1.00 11.23 H new ATOM 351 N LEU A 25 26.001 66.506 -74.206 1.00 14.23 N ATOM 352 CA LEU A 25 25.979 65.467 -75.253 1.00 22.42 C ATOM 353 C LEU A 25 26.499 64.122 -74.739 1.00 42.44 C ATOM 354 O LEU A 25 26.805 63.971 -73.556 1.00 41.32 O ATOM 355 CB LEU A 25 26.697 65.910 -76.560 1.00 52.44 C ATOM 356 CG LEU A 25 28.216 66.170 -76.513 1.00 3.52 C ATOM 357 CD1 LEU A 25 29.013 64.876 -76.582 1.00 35.34 C ATOM 358 CD2 LEU A 25 28.626 67.094 -77.646 1.00 34.05 C ATOM 0 H LEU A 25 25.080 66.903 -74.018 1.00 14.23 H new ATOM 0 HA LEU A 25 24.931 65.325 -75.517 1.00 22.42 H new ATOM 0 HB2 LEU A 25 26.515 65.144 -77.314 1.00 52.44 H new ATOM 0 HB3 LEU A 25 26.215 66.823 -76.910 1.00 52.44 H new ATOM 0 HG LEU A 25 28.438 66.647 -75.558 1.00 3.52 H new ATOM 0 HD11 LEU A 25 30.079 65.103 -76.546 1.00 35.34 H new ATOM 0 HD12 LEU A 25 28.749 64.240 -75.737 1.00 35.34 H new ATOM 0 HD13 LEU A 25 28.784 64.357 -77.512 1.00 35.34 H new ATOM 0 HD21 LEU A 25 29.701 67.270 -77.601 1.00 34.05 H new ATOM 0 HD22 LEU A 25 28.373 66.633 -78.601 1.00 34.05 H new ATOM 0 HD23 LEU A 25 28.099 68.043 -77.550 1.00 34.05 H new ATOM 370 N ASN A 26 26.553 63.137 -75.625 1.00 73.20 N ATOM 371 CA ASN A 26 26.946 61.787 -75.247 1.00 60.40 C ATOM 372 C ASN A 26 27.753 61.152 -76.372 1.00 55.24 C ATOM 373 O ASN A 26 27.622 61.551 -77.531 1.00 70.31 O ATOM 374 CB ASN A 26 25.696 60.948 -74.952 1.00 52.12 C ATOM 375 CG ASN A 26 26.009 59.633 -74.264 1.00 31.52 C ATOM 376 OD1 ASN A 26 26.014 59.647 -72.940 1.00 61.41 O flip ATOM 377 ND2 ASN A 26 26.237 58.614 -74.915 1.00 0.40 N flip ATOM 0 H ASN A 26 26.329 63.249 -76.614 1.00 73.20 H new ATOM 0 HA ASN A 26 27.564 61.828 -74.350 1.00 60.40 H new ATOM 0 HB2 ASN A 26 25.017 61.526 -74.325 1.00 52.12 H new ATOM 0 HB3 ASN A 26 25.173 60.746 -75.887 1.00 52.12 H new ATOM 0 HD21 ASN A 26 26.223 58.646 -75.934 1.00 0.40 H new ATOM 0 HD22 ASN A 26 26.440 57.737 -74.435 1.00 0.40 H new ATOM 384 N SER A 27 28.595 60.188 -76.035 1.00 41.42 N ATOM 385 CA SER A 27 29.362 59.472 -77.039 1.00 71.35 C ATOM 386 C SER A 27 28.451 58.587 -77.888 1.00 32.44 C ATOM 387 O SER A 27 27.994 59.005 -78.955 1.00 10.41 O ATOM 388 CB SER A 27 30.465 58.652 -76.371 1.00 30.22 C ATOM 389 OG SER A 27 29.974 57.980 -75.223 1.00 62.34 O ATOM 0 H SER A 27 28.764 59.885 -75.076 1.00 41.42 H new ATOM 0 HA SER A 27 29.830 60.196 -77.705 1.00 71.35 H new ATOM 0 HB2 SER A 27 30.863 57.926 -77.080 1.00 30.22 H new ATOM 0 HB3 SER A 27 31.290 59.307 -76.089 1.00 30.22 H new ATOM 0 HG SER A 27 30.089 58.551 -74.435 1.00 62.34 H new ATOM 395 N ALA A 28 28.156 57.387 -77.400 1.00 11.40 N ATOM 396 CA ALA A 28 27.288 56.461 -78.118 1.00 74.12 C ATOM 397 C ALA A 28 26.919 55.263 -77.252 1.00 32.20 C ATOM 398 O ALA A 28 27.609 54.247 -77.258 1.00 40.33 O ATOM 399 CB ALA A 28 27.952 55.985 -79.407 1.00 11.11 C ATOM 0 H ALA A 28 28.505 57.033 -76.510 1.00 11.40 H new ATOM 0 HA ALA A 28 26.373 56.998 -78.369 1.00 74.12 H new ATOM 0 HB1 ALA A 28 27.286 55.295 -79.926 1.00 11.11 H new ATOM 0 HB2 ALA A 28 28.158 56.842 -80.048 1.00 11.11 H new ATOM 0 HB3 ALA A 28 28.887 55.477 -79.169 1.00 11.11 H new ATOM 405 N GLN A 29 25.828 55.376 -76.509 1.00 51.32 N ATOM 406 CA GLN A 29 25.356 54.266 -75.688 1.00 50.44 C ATOM 407 C GLN A 29 24.384 53.399 -76.481 1.00 51.32 C ATOM 408 O GLN A 29 23.555 52.682 -75.918 1.00 65.31 O ATOM 409 CB GLN A 29 24.699 54.773 -74.401 1.00 25.01 C ATOM 410 CG GLN A 29 23.615 55.818 -74.616 1.00 22.41 C ATOM 411 CD GLN A 29 22.921 56.195 -73.321 1.00 13.34 C ATOM 412 OE1 GLN A 29 22.770 55.369 -72.420 1.00 43.24 O ATOM 413 NE2 GLN A 29 22.502 57.446 -73.213 1.00 45.43 N ATOM 0 H GLN A 29 25.255 56.218 -76.456 1.00 51.32 H new ATOM 0 HA GLN A 29 26.217 53.660 -75.407 1.00 50.44 H new ATOM 0 HB2 GLN A 29 24.268 53.925 -73.869 1.00 25.01 H new ATOM 0 HB3 GLN A 29 25.470 55.195 -73.756 1.00 25.01 H new ATOM 0 HG2 GLN A 29 24.055 56.709 -75.064 1.00 22.41 H new ATOM 0 HG3 GLN A 29 22.879 55.436 -75.323 1.00 22.41 H new ATOM 0 HE21 GLN A 29 22.646 58.100 -73.982 1.00 45.43 H new ATOM 0 HE22 GLN A 29 22.035 57.756 -72.361 1.00 45.43 H new ATOM 422 N ALA A 30 24.511 53.457 -77.798 1.00 32.35 N ATOM 423 CA ALA A 30 23.679 52.664 -78.684 1.00 75.25 C ATOM 424 C ALA A 30 24.371 51.353 -79.042 1.00 2.24 C ATOM 425 O ALA A 30 23.839 50.544 -79.805 1.00 44.53 O ATOM 426 CB ALA A 30 23.357 53.448 -79.945 1.00 53.52 C ATOM 0 H ALA A 30 25.188 54.050 -78.278 1.00 32.35 H new ATOM 0 HA ALA A 30 22.749 52.433 -78.166 1.00 75.25 H new ATOM 0 HB1 ALA A 30 22.732 52.842 -80.601 1.00 53.52 H new ATOM 0 HB2 ALA A 30 22.825 54.361 -79.680 1.00 53.52 H new ATOM 0 HB3 ALA A 30 24.283 53.704 -80.460 1.00 53.52 H new ATOM 432 N GLN A 31 25.563 51.156 -78.496 1.00 62.43 N ATOM 433 CA GLN A 31 26.339 49.951 -78.758 1.00 45.15 C ATOM 434 C GLN A 31 26.404 49.068 -77.523 1.00 11.34 C ATOM 435 O GLN A 31 26.556 49.560 -76.405 1.00 33.30 O ATOM 436 CB GLN A 31 27.753 50.313 -79.217 1.00 15.14 C ATOM 437 CG GLN A 31 27.801 50.997 -80.574 1.00 52.33 C ATOM 438 CD GLN A 31 27.216 50.142 -81.682 1.00 4.22 C ATOM 439 OE1 GLN A 31 27.913 49.342 -82.300 1.00 75.53 O ATOM 440 NE2 GLN A 31 25.931 50.315 -81.948 1.00 5.45 N ATOM 0 H GLN A 31 26.016 51.818 -77.866 1.00 62.43 H new ATOM 0 HA GLN A 31 25.840 49.397 -79.553 1.00 45.15 H new ATOM 0 HB2 GLN A 31 28.210 50.967 -78.474 1.00 15.14 H new ATOM 0 HB3 GLN A 31 28.356 49.406 -79.256 1.00 15.14 H new ATOM 0 HG2 GLN A 31 27.255 51.939 -80.521 1.00 52.33 H new ATOM 0 HG3 GLN A 31 28.835 51.241 -80.817 1.00 52.33 H new ATOM 0 HE21 GLN A 31 25.386 50.990 -81.412 1.00 5.45 H new ATOM 0 HE22 GLN A 31 25.486 49.774 -82.689 1.00 5.45 H new ATOM 449 N ASN A 32 26.269 47.767 -77.734 1.00 32.35 N ATOM 450 CA ASN A 32 26.365 46.797 -76.650 1.00 60.00 C ATOM 451 C ASN A 32 27.781 46.780 -76.085 1.00 24.31 C ATOM 452 O ASN A 32 28.723 46.352 -76.757 1.00 12.35 O ATOM 453 CB ASN A 32 25.957 45.402 -77.142 1.00 55.23 C ATOM 454 CG ASN A 32 25.941 44.370 -76.027 1.00 52.21 C ATOM 455 OD1 ASN A 32 24.960 44.252 -75.294 1.00 64.01 O ATOM 456 ND2 ASN A 32 27.004 43.594 -75.910 1.00 12.22 N ATOM 0 H ASN A 32 26.092 47.356 -78.650 1.00 32.35 H new ATOM 0 HA ASN A 32 25.680 47.089 -75.854 1.00 60.00 H new ATOM 0 HB2 ASN A 32 24.968 45.456 -77.596 1.00 55.23 H new ATOM 0 HB3 ASN A 32 26.648 45.079 -77.921 1.00 55.23 H new ATOM 0 HD21 ASN A 32 27.029 42.868 -75.194 1.00 12.22 H new ATOM 0 HD22 ASN A 32 27.799 43.721 -76.536 1.00 12.22 H new ATOM 463 N SER A 33 27.909 47.265 -74.853 1.00 43.41 N ATOM 464 CA SER A 33 29.197 47.424 -74.193 1.00 24.32 C ATOM 465 C SER A 33 30.086 48.370 -74.996 1.00 0.13 C ATOM 466 O SER A 33 30.918 47.944 -75.801 1.00 23.01 O ATOM 467 CB SER A 33 29.884 46.071 -73.979 1.00 74.21 C ATOM 468 OG SER A 33 31.023 46.200 -73.141 1.00 5.52 O ATOM 0 H SER A 33 27.116 47.560 -74.283 1.00 43.41 H new ATOM 0 HA SER A 33 29.026 47.860 -73.209 1.00 24.32 H new ATOM 0 HB2 SER A 33 29.179 45.369 -73.534 1.00 74.21 H new ATOM 0 HB3 SER A 33 30.183 45.656 -74.941 1.00 74.21 H new ATOM 0 HG SER A 33 31.441 45.322 -73.020 1.00 5.52 H new ATOM 474 N TYR A 34 29.885 49.662 -74.785 1.00 44.31 N ATOM 475 CA TYR A 34 30.618 50.681 -75.522 1.00 61.24 C ATOM 476 C TYR A 34 31.985 50.921 -74.895 1.00 73.24 C ATOM 477 O TYR A 34 32.868 51.506 -75.528 1.00 62.43 O ATOM 478 CB TYR A 34 29.811 51.986 -75.569 1.00 13.13 C ATOM 479 CG TYR A 34 30.497 53.103 -76.328 1.00 74.24 C ATOM 480 CD1 TYR A 34 30.529 53.106 -77.717 1.00 25.42 C ATOM 481 CD2 TYR A 34 31.118 54.147 -75.654 1.00 64.13 C ATOM 482 CE1 TYR A 34 31.159 54.119 -78.414 1.00 53.30 C ATOM 483 CE2 TYR A 34 31.749 55.164 -76.342 1.00 70.13 C ATOM 484 CZ TYR A 34 31.768 55.147 -77.723 1.00 21.34 C ATOM 485 OH TYR A 34 32.403 56.155 -78.411 1.00 74.43 O ATOM 0 H TYR A 34 29.218 50.031 -74.107 1.00 44.31 H new ATOM 0 HA TYR A 34 30.769 50.327 -76.542 1.00 61.24 H new ATOM 0 HB2 TYR A 34 28.843 51.787 -76.030 1.00 13.13 H new ATOM 0 HB3 TYR A 34 29.616 52.319 -74.549 1.00 13.13 H new ATOM 0 HD1 TYR A 34 30.054 52.303 -78.261 1.00 25.42 H new ATOM 0 HD2 TYR A 34 31.107 54.163 -74.574 1.00 64.13 H new ATOM 0 HE1 TYR A 34 31.175 54.107 -79.494 1.00 53.30 H new ATOM 0 HE2 TYR A 34 32.226 55.969 -75.803 1.00 70.13 H new ATOM 0 HH TYR A 34 32.778 56.799 -77.775 1.00 74.43 H new ATOM 495 N LYS A 35 32.151 50.445 -73.657 1.00 52.32 N ATOM 496 CA LYS A 35 33.385 50.640 -72.899 1.00 32.34 C ATOM 497 C LYS A 35 33.466 52.102 -72.459 1.00 3.52 C ATOM 498 O LYS A 35 32.451 52.802 -72.457 1.00 34.43 O ATOM 499 CB LYS A 35 34.606 50.240 -73.741 1.00 4.45 C ATOM 500 CG LYS A 35 35.747 49.614 -72.953 1.00 64.01 C ATOM 501 CD LYS A 35 36.905 49.241 -73.866 1.00 53.33 C ATOM 502 CE LYS A 35 36.455 48.318 -74.987 1.00 71.43 C ATOM 503 NZ LYS A 35 37.569 47.977 -75.909 1.00 25.44 N1+ ATOM 0 H LYS A 35 31.436 49.917 -73.157 1.00 52.32 H new ATOM 0 HA LYS A 35 33.381 50.002 -72.015 1.00 32.34 H new ATOM 0 HB2 LYS A 35 34.285 49.537 -74.510 1.00 4.45 H new ATOM 0 HB3 LYS A 35 34.981 51.125 -74.255 1.00 4.45 H new ATOM 0 HG2 LYS A 35 36.092 50.312 -72.190 1.00 64.01 H new ATOM 0 HG3 LYS A 35 35.389 48.725 -72.433 1.00 64.01 H new ATOM 0 HD2 LYS A 35 37.341 50.145 -74.291 1.00 53.33 H new ATOM 0 HD3 LYS A 35 37.687 48.754 -73.283 1.00 53.33 H new ATOM 0 HE2 LYS A 35 36.045 47.403 -74.560 1.00 71.43 H new ATOM 0 HE3 LYS A 35 35.652 48.795 -75.549 1.00 71.43 H new ATOM 0 HZ1 LYS A 35 37.219 47.346 -76.658 1.00 25.44 H new ATOM 0 HZ2 LYS A 35 37.944 48.847 -76.337 1.00 25.44 H new ATOM 0 HZ3 LYS A 35 38.325 47.498 -75.378 1.00 25.44 H new ATOM 517 N ASP A 36 34.640 52.559 -72.055 1.00 74.53 N ATOM 518 CA ASP A 36 34.806 53.945 -71.636 1.00 12.22 C ATOM 519 C ASP A 36 34.764 54.874 -72.849 1.00 2.12 C ATOM 520 O ASP A 36 35.240 54.520 -73.929 1.00 1.02 O ATOM 521 CB ASP A 36 36.126 54.124 -70.871 1.00 13.10 C ATOM 522 CG ASP A 36 37.349 53.799 -71.709 1.00 53.20 C ATOM 523 OD1 ASP A 36 38.076 54.733 -72.098 1.00 0.23 O ATOM 524 OD2 ASP A 36 37.584 52.601 -71.986 1.00 61.43 O1- ATOM 0 H ASP A 36 35.489 51.996 -72.008 1.00 74.53 H new ATOM 0 HA ASP A 36 33.984 54.204 -70.969 1.00 12.22 H new ATOM 0 HB2 ASP A 36 36.198 55.153 -70.518 1.00 13.10 H new ATOM 0 HB3 ASP A 36 36.117 53.484 -69.989 1.00 13.10 H new ATOM 529 N PRO A 37 34.167 56.064 -72.696 1.00 13.20 N ATOM 530 CA PRO A 37 34.106 57.061 -73.759 1.00 63.51 C ATOM 531 C PRO A 37 35.416 57.834 -73.881 1.00 54.33 C ATOM 532 O PRO A 37 36.083 58.108 -72.881 1.00 45.11 O ATOM 533 CB PRO A 37 32.958 57.987 -73.327 1.00 21.24 C ATOM 534 CG PRO A 37 32.391 57.388 -72.078 1.00 41.34 C ATOM 535 CD PRO A 37 33.473 56.529 -71.496 1.00 70.22 C ATOM 0 HA PRO A 37 33.944 56.612 -74.739 1.00 63.51 H new ATOM 0 HB2 PRO A 37 33.321 58.999 -73.145 1.00 21.24 H new ATOM 0 HB3 PRO A 37 32.199 58.056 -74.106 1.00 21.24 H new ATOM 0 HG2 PRO A 37 32.091 58.165 -71.375 1.00 41.34 H new ATOM 0 HG3 PRO A 37 31.502 56.797 -72.299 1.00 41.34 H new ATOM 0 HD2 PRO A 37 34.132 57.093 -70.836 1.00 70.22 H new ATOM 0 HD3 PRO A 37 33.068 55.702 -70.912 1.00 70.22 H new ATOM 543 N SER A 38 35.784 58.188 -75.104 1.00 14.04 N ATOM 544 CA SER A 38 37.077 58.808 -75.352 1.00 55.00 C ATOM 545 C SER A 38 36.966 59.981 -76.322 1.00 15.51 C ATOM 546 O SER A 38 37.978 60.558 -76.725 1.00 61.15 O ATOM 547 CB SER A 38 38.049 57.770 -75.917 1.00 62.11 C ATOM 548 OG SER A 38 38.082 56.605 -75.106 1.00 2.22 O ATOM 0 H SER A 38 35.209 58.057 -75.936 1.00 14.04 H new ATOM 0 HA SER A 38 37.448 59.191 -74.401 1.00 55.00 H new ATOM 0 HB2 SER A 38 37.751 57.503 -76.931 1.00 62.11 H new ATOM 0 HB3 SER A 38 39.048 58.200 -75.981 1.00 62.11 H new ATOM 0 HG SER A 38 38.709 55.957 -75.490 1.00 2.22 H new ATOM 554 N TYR A 39 35.750 60.335 -76.703 1.00 43.44 N ATOM 555 CA TYR A 39 35.551 61.406 -77.666 1.00 20.45 C ATOM 556 C TYR A 39 34.612 62.471 -77.114 1.00 62.10 C ATOM 557 O TYR A 39 33.394 62.347 -77.220 1.00 24.30 O ATOM 558 CB TYR A 39 35.009 60.838 -78.984 1.00 32.34 C ATOM 559 CG TYR A 39 34.715 61.883 -80.040 1.00 55.01 C ATOM 560 CD1 TYR A 39 33.409 62.132 -80.448 1.00 1.41 C ATOM 561 CD2 TYR A 39 35.737 62.621 -80.625 1.00 62.40 C ATOM 562 CE1 TYR A 39 33.132 63.081 -81.410 1.00 74.42 C ATOM 563 CE2 TYR A 39 35.466 63.574 -81.588 1.00 23.44 C ATOM 564 CZ TYR A 39 34.162 63.800 -81.977 1.00 40.22 C ATOM 565 OH TYR A 39 33.886 64.746 -82.936 1.00 3.35 O ATOM 0 H TYR A 39 34.892 59.901 -76.364 1.00 43.44 H new ATOM 0 HA TYR A 39 36.515 61.878 -77.858 1.00 20.45 H new ATOM 0 HB2 TYR A 39 35.732 60.128 -79.384 1.00 32.34 H new ATOM 0 HB3 TYR A 39 34.095 60.281 -78.777 1.00 32.34 H new ATOM 0 HD1 TYR A 39 32.598 61.573 -80.004 1.00 1.41 H new ATOM 0 HD2 TYR A 39 36.759 62.447 -80.322 1.00 62.40 H new ATOM 0 HE1 TYR A 39 32.112 63.260 -81.718 1.00 74.42 H new ATOM 0 HE2 TYR A 39 36.271 64.139 -82.034 1.00 23.44 H new ATOM 0 HH TYR A 39 34.721 65.164 -83.233 1.00 3.35 H new ATOM 575 N ASN A 40 35.198 63.490 -76.476 1.00 65.22 N ATOM 576 CA ASN A 40 34.463 64.668 -75.986 1.00 3.22 C ATOM 577 C ASN A 40 33.405 64.318 -74.940 1.00 70.45 C ATOM 578 O ASN A 40 32.643 65.183 -74.502 1.00 15.21 O ATOM 579 CB ASN A 40 33.824 65.421 -77.155 1.00 75.20 C ATOM 580 CG ASN A 40 34.862 66.095 -78.028 1.00 64.02 C ATOM 581 OD1 ASN A 40 35.900 66.543 -77.539 1.00 40.50 O ATOM 582 ND2 ASN A 40 34.603 66.166 -79.321 1.00 70.04 N ATOM 0 H ASN A 40 36.199 63.524 -76.283 1.00 65.22 H new ATOM 0 HA ASN A 40 35.193 65.310 -75.493 1.00 3.22 H new ATOM 0 HB2 ASN A 40 33.239 64.726 -77.758 1.00 75.20 H new ATOM 0 HB3 ASN A 40 33.132 66.170 -76.770 1.00 75.20 H new ATOM 0 HD21 ASN A 40 35.274 66.604 -79.952 1.00 70.04 H new ATOM 0 HD22 ASN A 40 33.732 65.783 -79.688 1.00 70.04 H new ATOM 589 N ASP A 41 33.387 63.064 -74.522 1.00 1.43 N ATOM 590 CA ASP A 41 32.429 62.585 -73.540 1.00 42.41 C ATOM 591 C ASP A 41 33.079 61.553 -72.637 1.00 73.04 C ATOM 592 O ASP A 41 34.035 60.882 -73.035 1.00 20.40 O ATOM 593 CB ASP A 41 31.202 61.973 -74.233 1.00 75.34 C ATOM 594 CG ASP A 41 30.311 61.200 -73.272 1.00 44.10 C ATOM 595 OD1 ASP A 41 30.061 59.999 -73.521 1.00 61.14 O ATOM 596 OD2 ASP A 41 29.896 61.774 -72.248 1.00 31.02 O1- ATOM 0 H ASP A 41 34.035 62.350 -74.853 1.00 1.43 H new ATOM 0 HA ASP A 41 32.102 63.433 -72.938 1.00 42.41 H new ATOM 0 HB2 ASP A 41 30.621 62.767 -74.702 1.00 75.34 H new ATOM 0 HB3 ASP A 41 31.534 61.307 -75.030 1.00 75.34 H new ATOM 601 N ASP A 42 32.578 61.453 -71.420 1.00 64.11 N ATOM 602 CA ASP A 42 33.010 60.429 -70.486 1.00 22.32 C ATOM 603 C ASP A 42 31.830 59.993 -69.625 1.00 12.21 C ATOM 604 O ASP A 42 31.992 59.286 -68.632 1.00 2.23 O ATOM 605 CB ASP A 42 34.170 60.927 -69.615 1.00 70.12 C ATOM 606 CG ASP A 42 33.778 62.029 -68.650 1.00 70.01 C ATOM 607 OD1 ASP A 42 33.782 61.779 -67.426 1.00 24.15 O ATOM 608 OD2 ASP A 42 33.493 63.155 -69.105 1.00 23.10 O1- ATOM 0 H ASP A 42 31.861 62.078 -71.051 1.00 64.11 H new ATOM 0 HA ASP A 42 33.374 59.571 -71.051 1.00 22.32 H new ATOM 0 HB2 ASP A 42 34.574 60.088 -69.049 1.00 70.12 H new ATOM 0 HB3 ASP A 42 34.969 61.290 -70.262 1.00 70.12 H new ATOM 613 N PHE A 43 30.633 60.398 -70.040 1.00 34.33 N ATOM 614 CA PHE A 43 29.414 60.067 -69.318 1.00 42.52 C ATOM 615 C PHE A 43 28.689 58.904 -69.988 1.00 55.15 C ATOM 616 O PHE A 43 27.769 58.320 -69.416 1.00 42.21 O ATOM 617 CB PHE A 43 28.488 61.284 -69.245 1.00 45.40 C ATOM 618 CG PHE A 43 29.100 62.470 -68.556 1.00 60.21 C ATOM 619 CD1 PHE A 43 29.684 63.491 -69.291 1.00 61.42 C ATOM 620 CD2 PHE A 43 29.087 62.567 -67.173 1.00 74.23 C ATOM 621 CE1 PHE A 43 30.245 64.583 -68.659 1.00 3.13 C ATOM 622 CE2 PHE A 43 29.646 63.658 -66.536 1.00 34.35 C ATOM 623 CZ PHE A 43 30.227 64.668 -67.280 1.00 75.22 C ATOM 0 H PHE A 43 30.484 60.959 -70.878 1.00 34.33 H new ATOM 0 HA PHE A 43 29.690 59.771 -68.306 1.00 42.52 H new ATOM 0 HB2 PHE A 43 28.200 61.571 -70.256 1.00 45.40 H new ATOM 0 HB3 PHE A 43 27.574 61.003 -68.722 1.00 45.40 H new ATOM 0 HD1 PHE A 43 29.700 63.431 -70.369 1.00 61.42 H new ATOM 0 HD2 PHE A 43 28.635 61.781 -66.587 1.00 74.23 H new ATOM 0 HE1 PHE A 43 30.698 65.371 -69.243 1.00 3.13 H new ATOM 0 HE2 PHE A 43 29.629 63.722 -65.458 1.00 34.35 H new ATOM 0 HZ PHE A 43 30.666 65.521 -66.785 1.00 75.22 H new ATOM 633 N GLY A 44 29.127 58.556 -71.197 1.00 3.11 N ATOM 634 CA GLY A 44 28.508 57.472 -71.949 1.00 42.15 C ATOM 635 C GLY A 44 28.836 56.093 -71.399 1.00 3.45 C ATOM 636 O GLY A 44 28.781 55.096 -72.120 1.00 74.52 O ATOM 0 H GLY A 44 29.907 59.009 -71.674 1.00 3.11 H new ATOM 0 HA2 GLY A 44 27.427 57.609 -71.946 1.00 42.15 H new ATOM 0 HA3 GLY A 44 28.834 57.528 -72.988 1.00 42.15 H new ATOM 640 N ILE A 45 29.177 56.035 -70.118 1.00 51.24 N ATOM 641 CA ILE A 45 29.442 54.775 -69.451 1.00 71.42 C ATOM 642 C ILE A 45 28.121 54.105 -69.086 1.00 20.41 C ATOM 643 O ILE A 45 28.015 52.878 -69.062 1.00 25.51 O ATOM 644 CB ILE A 45 30.289 54.984 -68.173 1.00 34.42 C ATOM 645 CG1 ILE A 45 31.585 55.728 -68.510 1.00 11.31 C ATOM 646 CG2 ILE A 45 30.597 53.647 -67.511 1.00 54.24 C ATOM 647 CD1 ILE A 45 32.462 56.011 -67.308 1.00 75.24 C ATOM 0 H ILE A 45 29.276 56.855 -69.520 1.00 51.24 H new ATOM 0 HA ILE A 45 30.007 54.139 -70.133 1.00 71.42 H new ATOM 0 HB ILE A 45 29.714 55.589 -67.472 1.00 34.42 H new ATOM 0 HG12 ILE A 45 32.153 55.140 -69.231 1.00 11.31 H new ATOM 0 HG13 ILE A 45 31.335 56.672 -68.995 1.00 11.31 H new ATOM 0 HG21 ILE A 45 31.193 53.814 -66.614 1.00 54.24 H new ATOM 0 HG22 ILE A 45 29.665 53.152 -67.240 1.00 54.24 H new ATOM 0 HG23 ILE A 45 31.154 53.017 -68.205 1.00 54.24 H new ATOM 0 HD11 ILE A 45 33.360 56.540 -67.629 1.00 75.24 H new ATOM 0 HD12 ILE A 45 31.914 56.626 -66.595 1.00 75.24 H new ATOM 0 HD13 ILE A 45 32.745 55.071 -66.834 1.00 75.24 H new ATOM 659 N GLU A 46 27.110 54.931 -68.829 1.00 65.21 N ATOM 660 CA GLU A 46 25.799 54.434 -68.439 1.00 41.54 C ATOM 661 C GLU A 46 25.053 53.905 -69.654 1.00 5.12 C ATOM 662 O GLU A 46 25.145 54.463 -70.747 1.00 43.23 O ATOM 663 CB GLU A 46 24.976 55.534 -67.752 1.00 55.55 C ATOM 664 CG GLU A 46 24.696 56.741 -68.634 1.00 14.53 C ATOM 665 CD GLU A 46 23.829 57.778 -67.948 1.00 0.14 C ATOM 666 OE1 GLU A 46 24.387 58.667 -67.274 1.00 65.32 O ATOM 667 OE2 GLU A 46 22.583 57.708 -68.084 1.00 5.55 O1- ATOM 0 H GLU A 46 27.176 55.947 -68.885 1.00 65.21 H new ATOM 0 HA GLU A 46 25.943 53.620 -67.728 1.00 41.54 H new ATOM 0 HB2 GLU A 46 24.027 55.111 -67.422 1.00 55.55 H new ATOM 0 HB3 GLU A 46 25.506 55.865 -66.859 1.00 55.55 H new ATOM 0 HG2 GLU A 46 25.641 57.199 -68.926 1.00 14.53 H new ATOM 0 HG3 GLU A 46 24.205 56.411 -69.549 1.00 14.53 H new ATOM 674 N THR A 47 24.359 52.799 -69.470 1.00 53.34 N ATOM 675 CA THR A 47 23.505 52.255 -70.508 1.00 11.21 C ATOM 676 C THR A 47 22.349 51.488 -69.873 1.00 2.33 C ATOM 677 O THR A 47 22.443 50.284 -69.635 1.00 31.14 O ATOM 678 CB THR A 47 24.287 51.332 -71.471 1.00 14.13 C ATOM 679 OG1 THR A 47 25.457 52.012 -71.950 1.00 60.32 O ATOM 680 CG2 THR A 47 23.424 50.922 -72.656 1.00 31.14 C ATOM 0 H THR A 47 24.370 52.257 -68.606 1.00 53.34 H new ATOM 0 HA THR A 47 23.117 53.088 -71.094 1.00 11.21 H new ATOM 0 HB THR A 47 24.575 50.435 -70.923 1.00 14.13 H new ATOM 0 HG1 THR A 47 25.951 51.424 -72.559 1.00 60.32 H new ATOM 0 HG21 THR A 47 23.998 50.273 -73.317 1.00 31.14 H new ATOM 0 HG22 THR A 47 22.544 50.387 -72.298 1.00 31.14 H new ATOM 0 HG23 THR A 47 23.110 51.811 -73.203 1.00 31.14 H new ATOM 688 N PRO A 48 21.266 52.196 -69.530 1.00 63.35 N ATOM 689 CA PRO A 48 20.102 51.598 -68.875 1.00 21.13 C ATOM 690 C PRO A 48 19.430 50.536 -69.744 1.00 23.22 C ATOM 691 O PRO A 48 18.848 50.843 -70.783 1.00 30.10 O ATOM 692 CB PRO A 48 19.163 52.790 -68.641 1.00 72.10 C ATOM 693 CG PRO A 48 19.611 53.834 -69.606 1.00 2.42 C ATOM 694 CD PRO A 48 21.091 53.641 -69.761 1.00 3.12 C ATOM 0 HA PRO A 48 20.374 51.077 -67.957 1.00 21.13 H new ATOM 0 HB2 PRO A 48 18.123 52.513 -68.815 1.00 72.10 H new ATOM 0 HB3 PRO A 48 19.230 53.148 -67.614 1.00 72.10 H new ATOM 0 HG2 PRO A 48 19.101 53.726 -70.563 1.00 2.42 H new ATOM 0 HG3 PRO A 48 19.384 54.833 -69.234 1.00 2.42 H new ATOM 0 HD2 PRO A 48 21.434 53.935 -70.753 1.00 3.12 H new ATOM 0 HD3 PRO A 48 21.653 54.235 -69.040 1.00 3.12 H new ATOM 702 N SER A 49 19.545 49.285 -69.325 1.00 1.52 N ATOM 703 CA SER A 49 18.915 48.179 -70.027 1.00 71.45 C ATOM 704 C SER A 49 18.001 47.399 -69.082 1.00 5.40 C ATOM 705 O SER A 49 17.043 46.758 -69.515 1.00 55.33 O ATOM 706 CB SER A 49 19.986 47.257 -70.616 1.00 4.01 C ATOM 707 OG SER A 49 20.875 47.983 -71.455 1.00 52.25 O ATOM 0 H SER A 49 20.073 49.010 -68.497 1.00 1.52 H new ATOM 0 HA SER A 49 18.308 48.578 -70.840 1.00 71.45 H new ATOM 0 HB2 SER A 49 20.546 46.782 -69.810 1.00 4.01 H new ATOM 0 HB3 SER A 49 19.511 46.459 -71.187 1.00 4.01 H new ATOM 0 HG SER A 49 21.552 47.375 -71.819 1.00 52.25 H new ATOM 713 N ALA A 50 18.302 47.464 -67.790 1.00 4.34 N ATOM 714 CA ALA A 50 17.508 46.767 -66.789 1.00 71.23 C ATOM 715 C ALA A 50 17.411 47.571 -65.499 1.00 52.43 C ATOM 716 O ALA A 50 16.369 47.592 -64.846 1.00 63.35 O ATOM 717 CB ALA A 50 18.099 45.393 -66.514 1.00 52.42 C ATOM 0 H ALA A 50 19.089 47.992 -67.413 1.00 4.34 H new ATOM 0 HA ALA A 50 16.499 46.647 -67.183 1.00 71.23 H new ATOM 0 HB1 ALA A 50 17.496 44.881 -65.764 1.00 52.42 H new ATOM 0 HB2 ALA A 50 18.105 44.809 -67.434 1.00 52.42 H new ATOM 0 HB3 ALA A 50 19.119 45.503 -66.147 1.00 52.42 H new ATOM 723 N LEU A 51 18.500 48.243 -65.134 1.00 14.24 N ATOM 724 CA LEU A 51 18.542 48.994 -63.882 1.00 65.24 C ATOM 725 C LEU A 51 17.707 50.266 -63.968 1.00 54.11 C ATOM 726 O LEU A 51 17.423 50.898 -62.951 1.00 73.42 O ATOM 727 CB LEU A 51 19.994 49.319 -63.481 1.00 34.13 C ATOM 728 CG LEU A 51 20.845 50.079 -64.515 1.00 14.14 C ATOM 729 CD1 LEU A 51 20.517 51.566 -64.534 1.00 42.24 C ATOM 730 CD2 LEU A 51 22.323 49.868 -64.234 1.00 32.32 C ATOM 0 H LEU A 51 19.359 48.283 -65.682 1.00 14.24 H new ATOM 0 HA LEU A 51 18.108 48.363 -63.106 1.00 65.24 H new ATOM 0 HB2 LEU A 51 19.970 49.906 -62.563 1.00 34.13 H new ATOM 0 HB3 LEU A 51 20.500 48.382 -63.247 1.00 34.13 H new ATOM 0 HG LEU A 51 20.606 49.678 -65.500 1.00 14.14 H new ATOM 0 HD11 LEU A 51 21.139 52.066 -65.276 1.00 42.24 H new ATOM 0 HD12 LEU A 51 19.466 51.704 -64.789 1.00 42.24 H new ATOM 0 HD13 LEU A 51 20.711 51.994 -63.551 1.00 42.24 H new ATOM 0 HD21 LEU A 51 22.915 50.410 -64.972 1.00 32.32 H new ATOM 0 HD22 LEU A 51 22.560 50.237 -63.236 1.00 32.32 H new ATOM 0 HD23 LEU A 51 22.556 48.805 -64.292 1.00 32.32 H new ATOM 742 N ASP A 52 17.307 50.626 -65.182 1.00 2.23 N ATOM 743 CA ASP A 52 16.534 51.840 -65.407 1.00 12.25 C ATOM 744 C ASP A 52 15.181 51.759 -64.710 1.00 34.31 C ATOM 745 O ASP A 52 14.855 52.602 -63.880 1.00 33.15 O ATOM 746 CB ASP A 52 16.349 52.100 -66.908 1.00 5.20 C ATOM 747 CG ASP A 52 15.798 50.907 -67.663 1.00 62.52 C ATOM 748 OD1 ASP A 52 14.570 50.845 -67.880 1.00 12.41 O ATOM 749 OD2 ASP A 52 16.596 50.033 -68.050 1.00 63.02 O1- ATOM 0 H ASP A 52 17.506 50.092 -66.028 1.00 2.23 H new ATOM 0 HA ASP A 52 17.090 52.675 -64.980 1.00 12.25 H new ATOM 0 HB2 ASP A 52 15.677 52.947 -67.042 1.00 5.20 H new ATOM 0 HB3 ASP A 52 17.308 52.383 -67.341 1.00 5.20 H new ATOM 754 N ASN A 53 14.410 50.731 -65.030 1.00 61.25 N ATOM 755 CA ASN A 53 13.097 50.543 -64.426 1.00 42.12 C ATOM 756 C ASN A 53 13.240 50.289 -62.929 1.00 63.01 C ATOM 757 O ASN A 53 12.360 50.632 -62.135 1.00 23.25 O ATOM 758 CB ASN A 53 12.375 49.373 -65.103 1.00 44.53 C ATOM 759 CG ASN A 53 10.941 49.210 -64.633 1.00 73.01 C ATOM 760 OD1 ASN A 53 10.273 50.182 -64.274 1.00 72.42 O ATOM 761 ND2 ASN A 53 10.451 47.980 -64.647 1.00 31.23 N ATOM 0 H ASN A 53 14.670 50.012 -65.705 1.00 61.25 H new ATOM 0 HA ASN A 53 12.506 51.448 -64.568 1.00 42.12 H new ATOM 0 HB2 ASN A 53 12.383 49.524 -66.182 1.00 44.53 H new ATOM 0 HB3 ASN A 53 12.923 48.452 -64.906 1.00 44.53 H new ATOM 0 HD21 ASN A 53 9.489 47.811 -64.354 1.00 31.23 H new ATOM 0 HD22 ASN A 53 11.036 47.202 -64.951 1.00 31.23 H new ATOM 768 N PHE A 54 14.372 49.708 -62.556 1.00 22.14 N ATOM 769 CA PHE A 54 14.671 49.415 -61.163 1.00 43.23 C ATOM 770 C PHE A 54 14.839 50.703 -60.355 1.00 0.30 C ATOM 771 O PHE A 54 14.219 50.870 -59.305 1.00 51.31 O ATOM 772 CB PHE A 54 15.939 48.555 -61.081 1.00 64.13 C ATOM 773 CG PHE A 54 16.359 48.197 -59.682 1.00 32.43 C ATOM 774 CD1 PHE A 54 17.504 48.746 -59.128 1.00 20.25 C ATOM 775 CD2 PHE A 54 15.614 47.309 -58.926 1.00 52.44 C ATOM 776 CE1 PHE A 54 17.897 48.415 -57.847 1.00 74.25 C ATOM 777 CE2 PHE A 54 16.001 46.975 -57.643 1.00 41.13 C ATOM 778 CZ PHE A 54 17.144 47.529 -57.102 1.00 1.54 C ATOM 0 H PHE A 54 15.105 49.428 -63.208 1.00 22.14 H new ATOM 0 HA PHE A 54 13.835 48.863 -60.733 1.00 43.23 H new ATOM 0 HB2 PHE A 54 15.777 47.636 -61.645 1.00 64.13 H new ATOM 0 HB3 PHE A 54 16.756 49.088 -61.567 1.00 64.13 H new ATOM 0 HD1 PHE A 54 18.096 49.441 -59.705 1.00 20.25 H new ATOM 0 HD2 PHE A 54 14.719 46.872 -59.344 1.00 52.44 H new ATOM 0 HE1 PHE A 54 18.793 48.849 -57.428 1.00 74.25 H new ATOM 0 HE2 PHE A 54 15.410 46.281 -57.064 1.00 41.13 H new ATOM 0 HZ PHE A 54 17.448 47.270 -56.099 1.00 1.54 H new ATOM 788 N THR A 55 15.657 51.622 -60.861 1.00 75.41 N ATOM 789 CA THR A 55 15.960 52.855 -60.141 1.00 62.12 C ATOM 790 C THR A 55 14.770 53.816 -60.139 1.00 21.25 C ATOM 791 O THR A 55 14.698 54.715 -59.299 1.00 1.24 O ATOM 792 CB THR A 55 17.203 53.576 -60.723 1.00 4.21 C ATOM 793 OG1 THR A 55 17.510 54.740 -59.951 1.00 21.43 O ATOM 794 CG2 THR A 55 16.986 53.988 -62.168 1.00 4.31 C ATOM 0 H THR A 55 16.121 51.536 -61.765 1.00 75.41 H new ATOM 0 HA THR A 55 16.178 52.561 -59.114 1.00 62.12 H new ATOM 0 HB THR A 55 18.033 52.871 -60.681 1.00 4.21 H new ATOM 0 HG1 THR A 55 18.067 55.347 -60.482 1.00 21.43 H new ATOM 0 HG21 THR A 55 17.879 54.490 -62.541 1.00 4.31 H new ATOM 0 HG22 THR A 55 16.788 53.103 -62.773 1.00 4.31 H new ATOM 0 HG23 THR A 55 16.135 54.667 -62.229 1.00 4.31 H new ATOM 802 N GLN A 56 13.840 53.618 -61.067 1.00 32.54 N ATOM 803 CA GLN A 56 12.673 54.490 -61.186 1.00 40.22 C ATOM 804 C GLN A 56 11.790 54.397 -59.947 1.00 42.31 C ATOM 805 O GLN A 56 11.343 55.410 -59.413 1.00 33.50 O ATOM 806 CB GLN A 56 11.870 54.134 -62.438 1.00 24.31 C ATOM 807 CG GLN A 56 12.551 54.549 -63.732 1.00 3.12 C ATOM 808 CD GLN A 56 11.967 53.865 -64.953 1.00 23.51 C ATOM 809 OE1 GLN A 56 10.784 53.516 -64.985 1.00 22.43 O ATOM 810 NE2 GLN A 56 12.800 53.667 -65.963 1.00 51.20 N ATOM 0 H GLN A 56 13.870 52.861 -61.750 1.00 32.54 H new ATOM 0 HA GLN A 56 13.026 55.518 -61.273 1.00 40.22 H new ATOM 0 HB2 GLN A 56 11.698 53.058 -62.456 1.00 24.31 H new ATOM 0 HB3 GLN A 56 10.892 54.612 -62.381 1.00 24.31 H new ATOM 0 HG2 GLN A 56 12.465 55.629 -63.851 1.00 3.12 H new ATOM 0 HG3 GLN A 56 13.614 54.319 -63.667 1.00 3.12 H new ATOM 0 HE21 GLN A 56 13.770 53.973 -65.891 1.00 51.20 H new ATOM 0 HE22 GLN A 56 12.471 53.209 -66.813 1.00 51.20 H new ATOM 819 N ALA A 57 11.570 53.178 -59.471 1.00 43.12 N ATOM 820 CA ALA A 57 10.712 52.960 -58.311 1.00 74.22 C ATOM 821 C ALA A 57 11.390 53.418 -57.022 1.00 13.44 C ATOM 822 O ALA A 57 10.723 53.762 -56.047 1.00 44.41 O ATOM 823 CB ALA A 57 10.327 51.491 -58.208 1.00 32.32 C ATOM 0 H ALA A 57 11.971 52.328 -59.867 1.00 43.12 H new ATOM 0 HA ALA A 57 9.810 53.557 -58.446 1.00 74.22 H new ATOM 0 HB1 ALA A 57 9.687 51.343 -57.338 1.00 32.32 H new ATOM 0 HB2 ALA A 57 9.791 51.191 -59.108 1.00 32.32 H new ATOM 0 HB3 ALA A 57 11.227 50.885 -58.103 1.00 32.32 H new ATOM 829 N ILE A 58 12.719 53.439 -57.027 1.00 52.41 N ATOM 830 CA ILE A 58 13.479 53.783 -55.830 1.00 43.42 C ATOM 831 C ILE A 58 13.454 55.288 -55.581 1.00 42.32 C ATOM 832 O ILE A 58 13.696 55.752 -54.468 1.00 2.22 O ATOM 833 CB ILE A 58 14.944 53.305 -55.933 1.00 4.31 C ATOM 834 CG1 ILE A 58 14.996 51.864 -56.448 1.00 33.32 C ATOM 835 CG2 ILE A 58 15.637 53.406 -54.578 1.00 22.11 C ATOM 836 CD1 ILE A 58 16.378 51.257 -56.408 1.00 75.03 C ATOM 0 H ILE A 58 13.291 53.223 -57.844 1.00 52.41 H new ATOM 0 HA ILE A 58 13.003 53.273 -54.993 1.00 43.42 H new ATOM 0 HB ILE A 58 15.469 53.950 -56.638 1.00 4.31 H new ATOM 0 HG12 ILE A 58 14.321 51.250 -55.852 1.00 33.32 H new ATOM 0 HG13 ILE A 58 14.627 51.840 -57.473 1.00 33.32 H new ATOM 0 HG21 ILE A 58 16.668 53.065 -54.670 1.00 22.11 H new ATOM 0 HG22 ILE A 58 15.626 54.442 -54.240 1.00 22.11 H new ATOM 0 HG23 ILE A 58 15.112 52.783 -53.854 1.00 22.11 H new ATOM 0 HD11 ILE A 58 16.338 50.236 -56.787 1.00 75.03 H new ATOM 0 HD12 ILE A 58 17.053 51.848 -57.027 1.00 75.03 H new ATOM 0 HD13 ILE A 58 16.742 51.248 -55.381 1.00 75.03 H new ATOM 848 N GLN A 59 13.124 56.049 -56.612 1.00 20.32 N ATOM 849 CA GLN A 59 13.089 57.501 -56.501 1.00 43.14 C ATOM 850 C GLN A 59 11.967 57.951 -55.569 1.00 30.01 C ATOM 851 O GLN A 59 11.993 59.063 -55.043 1.00 22.32 O ATOM 852 CB GLN A 59 12.934 58.133 -57.884 1.00 0.24 C ATOM 853 CG GLN A 59 14.101 57.817 -58.807 1.00 33.03 C ATOM 854 CD GLN A 59 13.922 58.365 -60.211 1.00 32.54 C ATOM 855 OE1 GLN A 59 13.294 59.402 -60.417 1.00 24.13 O ATOM 856 NE2 GLN A 59 14.474 57.661 -61.185 1.00 51.23 N ATOM 0 H GLN A 59 12.877 55.688 -57.533 1.00 20.32 H new ATOM 0 HA GLN A 59 14.033 57.836 -56.071 1.00 43.14 H new ATOM 0 HB2 GLN A 59 12.009 57.779 -58.340 1.00 0.24 H new ATOM 0 HB3 GLN A 59 12.843 59.214 -57.777 1.00 0.24 H new ATOM 0 HG2 GLN A 59 15.015 58.227 -58.378 1.00 33.03 H new ATOM 0 HG3 GLN A 59 14.231 56.736 -58.860 1.00 33.03 H new ATOM 0 HE21 GLN A 59 14.987 56.806 -60.969 1.00 51.23 H new ATOM 0 HE22 GLN A 59 14.387 57.973 -62.152 1.00 51.23 H new ATOM 865 N SER A 60 11.000 57.073 -55.339 1.00 51.04 N ATOM 866 CA SER A 60 9.889 57.377 -54.451 1.00 11.41 C ATOM 867 C SER A 60 10.316 57.326 -52.980 1.00 54.31 C ATOM 868 O SER A 60 9.841 58.120 -52.165 1.00 71.15 O ATOM 869 CB SER A 60 8.739 56.405 -54.704 1.00 73.34 C ATOM 870 OG SER A 60 8.267 56.512 -56.037 1.00 3.51 O ATOM 0 H SER A 60 10.964 56.143 -55.757 1.00 51.04 H new ATOM 0 HA SER A 60 9.555 58.393 -54.663 1.00 11.41 H new ATOM 0 HB2 SER A 60 9.072 55.385 -54.513 1.00 73.34 H new ATOM 0 HB3 SER A 60 7.925 56.610 -54.009 1.00 73.34 H new ATOM 0 HG SER A 60 7.532 55.879 -56.176 1.00 3.51 H new ATOM 876 N GLN A 61 11.231 56.418 -52.641 1.00 30.10 N ATOM 877 CA GLN A 61 11.663 56.267 -51.253 1.00 24.42 C ATOM 878 C GLN A 61 12.727 57.303 -50.896 1.00 14.32 C ATOM 879 O GLN A 61 13.132 57.420 -49.738 1.00 1.12 O ATOM 880 CB GLN A 61 12.173 54.843 -50.972 1.00 64.21 C ATOM 881 CG GLN A 61 13.378 54.424 -51.796 1.00 32.32 C ATOM 882 CD GLN A 61 13.846 53.018 -51.466 1.00 64.01 C ATOM 883 OE1 GLN A 61 14.708 52.819 -50.610 1.00 52.54 O ATOM 884 NE2 GLN A 61 13.265 52.031 -52.127 1.00 61.52 N ATOM 0 H GLN A 61 11.682 55.783 -53.300 1.00 30.10 H new ATOM 0 HA GLN A 61 10.793 56.438 -50.619 1.00 24.42 H new ATOM 0 HB2 GLN A 61 12.428 54.766 -49.915 1.00 64.21 H new ATOM 0 HB3 GLN A 61 11.362 54.139 -51.156 1.00 64.21 H new ATOM 0 HG2 GLN A 61 13.128 54.481 -52.855 1.00 32.32 H new ATOM 0 HG3 GLN A 61 14.194 55.125 -51.623 1.00 32.32 H new ATOM 0 HE21 GLN A 61 12.554 52.236 -52.829 1.00 61.52 H new ATOM 0 HE22 GLN A 61 13.527 51.064 -51.934 1.00 61.52 H new ATOM 893 N ILE A 62 13.163 58.070 -51.892 1.00 25.21 N ATOM 894 CA ILE A 62 14.111 59.153 -51.661 1.00 60.23 C ATOM 895 C ILE A 62 13.465 60.229 -50.794 1.00 4.22 C ATOM 896 O ILE A 62 14.108 60.825 -49.930 1.00 73.53 O ATOM 897 CB ILE A 62 14.602 59.775 -52.991 1.00 31.41 C ATOM 898 CG1 ILE A 62 15.356 58.730 -53.816 1.00 75.12 C ATOM 899 CG2 ILE A 62 15.486 60.991 -52.730 1.00 11.33 C ATOM 900 CD1 ILE A 62 15.866 59.253 -55.144 1.00 54.33 C ATOM 0 H ILE A 62 12.875 57.961 -52.864 1.00 25.21 H new ATOM 0 HA ILE A 62 14.977 58.736 -51.147 1.00 60.23 H new ATOM 0 HB ILE A 62 13.732 60.107 -53.557 1.00 31.41 H new ATOM 0 HG12 ILE A 62 16.200 58.360 -53.233 1.00 75.12 H new ATOM 0 HG13 ILE A 62 14.698 57.881 -53.999 1.00 75.12 H new ATOM 0 HG21 ILE A 62 15.818 61.410 -53.680 1.00 11.33 H new ATOM 0 HG22 ILE A 62 14.918 61.742 -52.181 1.00 11.33 H new ATOM 0 HG23 ILE A 62 16.354 60.691 -52.143 1.00 11.33 H new ATOM 0 HD11 ILE A 62 16.390 58.456 -55.672 1.00 54.33 H new ATOM 0 HD12 ILE A 62 15.025 59.597 -55.747 1.00 54.33 H new ATOM 0 HD13 ILE A 62 16.550 60.083 -54.969 1.00 54.33 H new ATOM 912 N LEU A 63 12.171 60.439 -51.015 1.00 64.35 N ATOM 913 CA LEU A 63 11.403 61.413 -50.251 1.00 53.53 C ATOM 914 C LEU A 63 11.349 61.019 -48.779 1.00 34.31 C ATOM 915 O LEU A 63 11.383 61.877 -47.896 1.00 74.53 O ATOM 916 CB LEU A 63 9.983 61.555 -50.814 1.00 24.15 C ATOM 917 CG LEU A 63 9.854 62.364 -52.113 1.00 14.34 C ATOM 918 CD1 LEU A 63 10.508 61.646 -53.284 1.00 52.54 C ATOM 919 CD2 LEU A 63 8.390 62.647 -52.419 1.00 61.01 C ATOM 0 H LEU A 63 11.630 59.943 -51.723 1.00 64.35 H new ATOM 0 HA LEU A 63 11.904 62.377 -50.336 1.00 53.53 H new ATOM 0 HB2 LEU A 63 9.581 60.557 -50.989 1.00 24.15 H new ATOM 0 HB3 LEU A 63 9.357 62.022 -50.054 1.00 24.15 H new ATOM 0 HG LEU A 63 10.375 63.310 -51.968 1.00 14.34 H new ATOM 0 HD11 LEU A 63 10.398 62.247 -54.187 1.00 52.54 H new ATOM 0 HD12 LEU A 63 11.567 61.497 -53.074 1.00 52.54 H new ATOM 0 HD13 LEU A 63 10.028 60.678 -53.431 1.00 52.54 H new ATOM 0 HD21 LEU A 63 8.316 63.221 -53.343 1.00 61.01 H new ATOM 0 HD22 LEU A 63 7.853 61.705 -52.533 1.00 61.01 H new ATOM 0 HD23 LEU A 63 7.951 63.218 -51.601 1.00 61.01 H new ATOM 931 N GLY A 64 11.280 59.716 -48.520 1.00 54.14 N ATOM 932 CA GLY A 64 11.315 59.228 -47.155 1.00 43.53 C ATOM 933 C GLY A 64 12.652 59.508 -46.506 1.00 42.50 C ATOM 934 O GLY A 64 12.723 59.913 -45.345 1.00 45.41 O ATOM 0 H GLY A 64 11.200 58.990 -49.232 1.00 54.14 H new ATOM 0 HA2 GLY A 64 10.521 59.701 -46.577 1.00 43.53 H new ATOM 0 HA3 GLY A 64 11.121 58.155 -47.145 1.00 43.53 H new ATOM 938 N GLY A 65 13.717 59.320 -47.276 1.00 25.24 N ATOM 939 CA GLY A 65 15.052 59.608 -46.792 1.00 5.50 C ATOM 940 C GLY A 65 15.268 61.088 -46.539 1.00 33.53 C ATOM 941 O GLY A 65 16.188 61.470 -45.816 1.00 11.34 O ATOM 0 H GLY A 65 13.678 58.971 -48.234 1.00 25.24 H new ATOM 0 HA2 GLY A 65 15.228 59.055 -45.869 1.00 5.50 H new ATOM 0 HA3 GLY A 65 15.783 59.256 -47.520 1.00 5.50 H new ATOM 945 N LEU A 66 14.426 61.922 -47.144 1.00 53.33 N ATOM 946 CA LEU A 66 14.487 63.364 -46.930 1.00 72.23 C ATOM 947 C LEU A 66 13.928 63.715 -45.559 1.00 34.12 C ATOM 948 O LEU A 66 14.370 64.670 -44.918 1.00 33.03 O ATOM 949 CB LEU A 66 13.710 64.110 -48.019 1.00 31.31 C ATOM 950 CG LEU A 66 14.205 63.876 -49.447 1.00 64.21 C ATOM 951 CD1 LEU A 66 13.366 64.662 -50.442 1.00 22.03 C ATOM 952 CD2 LEU A 66 15.672 64.254 -49.570 1.00 65.03 C ATOM 0 H LEU A 66 13.693 61.623 -47.787 1.00 53.33 H new ATOM 0 HA LEU A 66 15.531 63.672 -46.979 1.00 72.23 H new ATOM 0 HB2 LEU A 66 12.662 63.816 -47.962 1.00 31.31 H new ATOM 0 HB3 LEU A 66 13.753 65.178 -47.807 1.00 31.31 H new ATOM 0 HG LEU A 66 14.101 62.815 -49.676 1.00 64.21 H new ATOM 0 HD11 LEU A 66 13.735 64.481 -51.452 1.00 22.03 H new ATOM 0 HD12 LEU A 66 12.326 64.343 -50.373 1.00 22.03 H new ATOM 0 HD13 LEU A 66 13.435 65.726 -50.215 1.00 22.03 H new ATOM 0 HD21 LEU A 66 16.008 64.081 -50.592 1.00 65.03 H new ATOM 0 HD22 LEU A 66 15.799 65.307 -49.320 1.00 65.03 H new ATOM 0 HD23 LEU A 66 16.263 63.645 -48.886 1.00 65.03 H new ATOM 964 N LEU A 67 12.960 62.932 -45.110 1.00 53.21 N ATOM 965 CA LEU A 67 12.406 63.098 -43.776 1.00 64.45 C ATOM 966 C LEU A 67 13.399 62.560 -42.757 1.00 60.43 C ATOM 967 O LEU A 67 13.667 63.183 -41.730 1.00 44.24 O ATOM 968 CB LEU A 67 11.071 62.356 -43.659 1.00 51.43 C ATOM 969 CG LEU A 67 10.056 62.667 -44.763 1.00 3.00 C ATOM 970 CD1 LEU A 67 8.786 61.859 -44.566 1.00 70.32 C ATOM 971 CD2 LEU A 67 9.744 64.156 -44.804 1.00 22.21 C ATOM 0 H LEU A 67 12.542 62.175 -45.650 1.00 53.21 H new ATOM 0 HA LEU A 67 12.226 64.156 -43.586 1.00 64.45 H new ATOM 0 HB2 LEU A 67 11.268 61.284 -43.659 1.00 51.43 H new ATOM 0 HB3 LEU A 67 10.622 62.597 -42.696 1.00 51.43 H new ATOM 0 HG LEU A 67 10.496 62.385 -45.719 1.00 3.00 H new ATOM 0 HD11 LEU A 67 8.078 62.095 -45.361 1.00 70.32 H new ATOM 0 HD12 LEU A 67 9.023 60.796 -44.595 1.00 70.32 H new ATOM 0 HD13 LEU A 67 8.344 62.106 -43.601 1.00 70.32 H new ATOM 0 HD21 LEU A 67 9.021 64.355 -45.595 1.00 22.21 H new ATOM 0 HD22 LEU A 67 9.328 64.467 -43.846 1.00 22.21 H new ATOM 0 HD23 LEU A 67 10.659 64.714 -45.000 1.00 22.21 H new ATOM 983 N SER A 68 13.977 61.412 -43.086 1.00 40.32 N ATOM 984 CA SER A 68 14.976 60.769 -42.250 1.00 11.31 C ATOM 985 C SER A 68 16.327 61.480 -42.354 1.00 75.02 C ATOM 986 O SER A 68 17.328 61.024 -41.798 1.00 75.11 O ATOM 987 CB SER A 68 15.115 59.311 -42.682 1.00 0.14 C ATOM 988 OG SER A 68 13.846 58.681 -42.720 1.00 4.11 O ATOM 0 H SER A 68 13.764 60.901 -43.943 1.00 40.32 H new ATOM 0 HA SER A 68 14.655 60.822 -41.210 1.00 11.31 H new ATOM 0 HB2 SER A 68 15.582 59.260 -43.665 1.00 0.14 H new ATOM 0 HB3 SER A 68 15.770 58.781 -41.990 1.00 0.14 H new ATOM 0 HG SER A 68 13.357 58.979 -43.515 1.00 4.11 H new ATOM 994 N ASN A 69 16.346 62.600 -43.064 1.00 22.22 N ATOM 995 CA ASN A 69 17.570 63.360 -43.275 1.00 3.21 C ATOM 996 C ASN A 69 17.863 64.264 -42.085 1.00 33.23 C ATOM 997 O ASN A 69 19.017 64.593 -41.811 1.00 41.32 O ATOM 998 CB ASN A 69 17.454 64.207 -44.549 1.00 53.44 C ATOM 999 CG ASN A 69 18.720 64.984 -44.865 1.00 25.14 C ATOM 1000 OD1 ASN A 69 19.830 64.525 -44.599 1.00 41.35 O ATOM 1001 ND2 ASN A 69 18.562 66.169 -45.439 1.00 2.13 N ATOM 0 H ASN A 69 15.521 63.004 -43.506 1.00 22.22 H new ATOM 0 HA ASN A 69 18.392 62.652 -43.384 1.00 3.21 H new ATOM 0 HB2 ASN A 69 17.215 63.556 -45.390 1.00 53.44 H new ATOM 0 HB3 ASN A 69 16.624 64.905 -44.440 1.00 53.44 H new ATOM 0 HD21 ASN A 69 19.378 66.734 -45.676 1.00 2.13 H new ATOM 0 HD22 ASN A 69 17.625 66.515 -45.644 1.00 2.13 H new ATOM 1008 N ILE A 70 16.818 64.637 -41.363 1.00 71.41 N ATOM 1009 CA ILE A 70 16.962 65.571 -40.258 1.00 54.25 C ATOM 1010 C ILE A 70 17.374 64.846 -38.979 1.00 15.54 C ATOM 1011 O ILE A 70 18.341 65.236 -38.325 1.00 23.53 O ATOM 1012 CB ILE A 70 15.669 66.400 -40.020 1.00 3.10 C ATOM 1013 CG1 ILE A 70 15.479 67.460 -41.116 1.00 23.53 C ATOM 1014 CG2 ILE A 70 15.699 67.072 -38.654 1.00 12.32 C ATOM 1015 CD1 ILE A 70 15.179 66.901 -42.493 1.00 42.43 C ATOM 0 H ILE A 70 15.865 64.309 -41.521 1.00 71.41 H new ATOM 0 HA ILE A 70 17.752 66.269 -40.534 1.00 54.25 H new ATOM 0 HB ILE A 70 14.827 65.709 -40.056 1.00 3.10 H new ATOM 0 HG12 ILE A 70 14.666 68.124 -40.823 1.00 23.53 H new ATOM 0 HG13 ILE A 70 16.382 68.068 -41.174 1.00 23.53 H new ATOM 0 HG21 ILE A 70 14.784 67.646 -38.511 1.00 12.32 H new ATOM 0 HG22 ILE A 70 15.776 66.312 -37.876 1.00 12.32 H new ATOM 0 HG23 ILE A 70 16.559 67.739 -38.596 1.00 12.32 H new ATOM 0 HD11 ILE A 70 15.061 67.721 -43.201 1.00 42.43 H new ATOM 0 HD12 ILE A 70 16.001 66.261 -42.813 1.00 42.43 H new ATOM 0 HD13 ILE A 70 14.259 66.318 -42.456 1.00 42.43 H new ATOM 1027 N ASN A 71 16.658 63.788 -38.623 1.00 10.14 N ATOM 1028 CA ASN A 71 16.997 63.046 -37.414 1.00 44.34 C ATOM 1029 C ASN A 71 17.540 61.667 -37.755 1.00 55.34 C ATOM 1030 O ASN A 71 18.743 61.498 -37.945 1.00 20.43 O ATOM 1031 CB ASN A 71 15.780 62.910 -36.491 1.00 33.10 C ATOM 1032 CG ASN A 71 15.253 64.247 -36.009 1.00 24.15 C ATOM 1033 OD1 ASN A 71 15.999 65.216 -35.894 1.00 2.11 O ATOM 1034 ND2 ASN A 71 13.964 64.304 -35.711 1.00 61.43 N ATOM 0 H ASN A 71 15.856 63.429 -39.140 1.00 10.14 H new ATOM 0 HA ASN A 71 17.771 63.609 -36.892 1.00 44.34 H new ATOM 0 HB2 ASN A 71 14.987 62.382 -37.020 1.00 33.10 H new ATOM 0 HB3 ASN A 71 16.050 62.300 -35.629 1.00 33.10 H new ATOM 0 HD21 ASN A 71 13.557 65.176 -35.372 1.00 61.43 H new ATOM 0 HD22 ASN A 71 13.378 63.476 -35.820 1.00 61.43 H new ATOM 1041 N THR A 72 16.641 60.698 -37.880 1.00 12.11 N ATOM 1042 CA THR A 72 16.999 59.321 -38.210 1.00 23.30 C ATOM 1043 C THR A 72 15.733 58.546 -38.557 1.00 44.31 C ATOM 1044 O THR A 72 14.776 58.543 -37.784 1.00 44.23 O ATOM 1045 CB THR A 72 17.716 58.593 -37.036 1.00 2.13 C ATOM 1046 OG1 THR A 72 18.924 59.273 -36.666 1.00 14.23 O ATOM 1047 CG2 THR A 72 18.057 57.156 -37.409 1.00 53.31 C ATOM 0 H THR A 72 15.639 60.844 -37.755 1.00 12.11 H new ATOM 0 HA THR A 72 17.688 59.358 -39.054 1.00 23.30 H new ATOM 0 HB THR A 72 17.027 58.595 -36.192 1.00 2.13 H new ATOM 0 HG1 THR A 72 19.145 59.941 -37.348 1.00 14.23 H new ATOM 0 HG21 THR A 72 18.557 56.671 -36.570 1.00 53.31 H new ATOM 0 HG22 THR A 72 17.141 56.615 -37.647 1.00 53.31 H new ATOM 0 HG23 THR A 72 18.717 57.152 -38.276 1.00 53.31 H new ATOM 1055 N GLY A 73 15.715 57.909 -39.715 1.00 3.13 N ATOM 1056 CA GLY A 73 14.557 57.129 -40.097 1.00 42.41 C ATOM 1057 C GLY A 73 14.921 55.998 -41.027 1.00 24.53 C ATOM 1058 O GLY A 73 14.234 55.756 -42.019 1.00 71.02 O ATOM 0 H GLY A 73 16.476 57.917 -40.395 1.00 3.13 H new ATOM 0 HA2 GLY A 73 14.081 56.725 -39.204 1.00 42.41 H new ATOM 0 HA3 GLY A 73 13.827 57.777 -40.582 1.00 42.41 H new ATOM 1062 N LYS A 74 16.022 55.325 -40.716 1.00 31.51 N ATOM 1063 CA LYS A 74 16.496 54.209 -41.519 1.00 51.44 C ATOM 1064 C LYS A 74 15.421 53.125 -41.640 1.00 44.43 C ATOM 1065 O LYS A 74 14.649 52.902 -40.703 1.00 24.01 O ATOM 1066 CB LYS A 74 17.810 53.660 -40.943 1.00 23.21 C ATOM 1067 CG LYS A 74 17.783 53.319 -39.456 1.00 4.23 C ATOM 1068 CD LYS A 74 17.260 51.916 -39.201 1.00 20.20 C ATOM 1069 CE LYS A 74 17.391 51.535 -37.736 1.00 35.24 C ATOM 1070 NZ LYS A 74 18.812 51.523 -37.297 1.00 22.45 N1+ ATOM 0 H LYS A 74 16.606 55.536 -39.907 1.00 31.51 H new ATOM 0 HA LYS A 74 16.701 54.564 -42.529 1.00 51.44 H new ATOM 0 HB2 LYS A 74 18.083 52.763 -41.499 1.00 23.21 H new ATOM 0 HB3 LYS A 74 18.597 54.394 -41.115 1.00 23.21 H new ATOM 0 HG2 LYS A 74 18.788 53.411 -39.045 1.00 4.23 H new ATOM 0 HG3 LYS A 74 17.157 54.040 -38.930 1.00 4.23 H new ATOM 0 HD2 LYS A 74 16.214 51.855 -39.503 1.00 20.20 H new ATOM 0 HD3 LYS A 74 17.811 51.203 -39.815 1.00 20.20 H new ATOM 0 HE2 LYS A 74 16.827 52.239 -37.125 1.00 35.24 H new ATOM 0 HE3 LYS A 74 16.952 50.550 -37.575 1.00 35.24 H new ATOM 0 HZ1 LYS A 74 18.879 51.099 -36.350 1.00 22.45 H new ATOM 0 HZ2 LYS A 74 19.378 50.965 -37.968 1.00 22.45 H new ATOM 0 HZ3 LYS A 74 19.174 52.497 -37.266 1.00 22.45 H new ATOM 1084 N PRO A 75 15.349 52.453 -42.801 1.00 62.34 N ATOM 1085 CA PRO A 75 14.304 51.464 -43.087 1.00 2.31 C ATOM 1086 C PRO A 75 14.274 50.324 -42.078 1.00 25.45 C ATOM 1087 O PRO A 75 13.207 49.928 -41.612 1.00 34.43 O ATOM 1088 CB PRO A 75 14.662 50.932 -44.481 1.00 60.25 C ATOM 1089 CG PRO A 75 16.078 51.336 -44.706 1.00 23.21 C ATOM 1090 CD PRO A 75 16.270 52.609 -43.934 1.00 65.03 C ATOM 0 HA PRO A 75 13.313 51.915 -43.033 1.00 2.31 H new ATOM 0 HB2 PRO A 75 14.550 49.849 -44.529 1.00 60.25 H new ATOM 0 HB3 PRO A 75 14.007 51.354 -45.243 1.00 60.25 H new ATOM 0 HG2 PRO A 75 16.764 50.563 -44.361 1.00 23.21 H new ATOM 0 HG3 PRO A 75 16.277 51.489 -45.767 1.00 23.21 H new ATOM 0 HD2 PRO A 75 17.301 52.727 -43.602 1.00 65.03 H new ATOM 0 HD3 PRO A 75 16.026 53.485 -44.534 1.00 65.03 H new ATOM 1098 N GLY A 76 15.444 49.811 -41.734 1.00 12.10 N ATOM 1099 CA GLY A 76 15.516 48.717 -40.796 1.00 14.01 C ATOM 1100 C GLY A 76 16.891 48.095 -40.752 1.00 13.34 C ATOM 1101 O GLY A 76 17.882 48.733 -41.113 1.00 72.12 O ATOM 0 H GLY A 76 16.344 50.134 -42.089 1.00 12.10 H new ATOM 0 HA2 GLY A 76 15.249 49.075 -39.802 1.00 14.01 H new ATOM 0 HA3 GLY A 76 14.784 47.957 -41.069 1.00 14.01 H new ATOM 1105 N ARG A 77 16.949 46.849 -40.319 1.00 2.44 N ATOM 1106 CA ARG A 77 18.210 46.141 -40.177 1.00 13.33 C ATOM 1107 C ARG A 77 17.998 44.649 -40.376 1.00 22.11 C ATOM 1108 O ARG A 77 16.867 44.193 -40.543 1.00 0.25 O ATOM 1109 CB ARG A 77 18.805 46.396 -38.787 1.00 21.41 C ATOM 1110 CG ARG A 77 17.938 45.863 -37.656 1.00 30.43 C ATOM 1111 CD ARG A 77 18.574 46.100 -36.296 1.00 20.32 C ATOM 1112 NE ARG A 77 17.752 45.565 -35.207 1.00 45.02 N ATOM 1113 CZ ARG A 77 18.017 45.744 -33.913 1.00 1.11 C ATOM 1114 NH1 ARG A 77 19.088 46.431 -33.540 1.00 21.40 N1+ ATOM 1115 NH2 ARG A 77 17.221 45.226 -32.988 1.00 14.15 N ATOM 0 H ARG A 77 16.129 46.301 -40.057 1.00 2.44 H new ATOM 0 HA ARG A 77 18.902 46.508 -40.935 1.00 13.33 H new ATOM 0 HB2 ARG A 77 19.790 45.933 -38.730 1.00 21.41 H new ATOM 0 HB3 ARG A 77 18.949 47.468 -38.652 1.00 21.41 H new ATOM 0 HG2 ARG A 77 16.961 46.345 -37.689 1.00 30.43 H new ATOM 0 HG3 ARG A 77 17.772 44.795 -37.798 1.00 30.43 H new ATOM 0 HD2 ARG A 77 19.559 45.634 -36.270 1.00 20.32 H new ATOM 0 HD3 ARG A 77 18.723 47.169 -36.146 1.00 20.32 H new ATOM 0 HE ARG A 77 16.925 45.022 -35.455 1.00 45.02 H new ATOM 0 HH11 ARG A 77 19.712 46.825 -34.244 1.00 21.40 H new ATOM 0 HH12 ARG A 77 19.288 46.566 -32.549 1.00 21.40 H new ATOM 0 HH21 ARG A 77 16.401 44.687 -33.265 1.00 14.15 H new ATOM 0 HH22 ARG A 77 17.429 45.366 -31.999 1.00 14.15 H new ATOM 1129 N MET A 78 19.082 43.897 -40.365 1.00 12.00 N ATOM 1130 CA MET A 78 19.007 42.449 -40.406 1.00 2.03 C ATOM 1131 C MET A 78 19.706 41.885 -39.180 1.00 70.13 C ATOM 1132 O MET A 78 20.891 42.145 -38.957 1.00 44.34 O ATOM 1133 CB MET A 78 19.648 41.912 -41.686 1.00 63.14 C ATOM 1134 CG MET A 78 19.591 40.397 -41.811 1.00 52.15 C ATOM 1135 SD MET A 78 20.355 39.797 -43.330 1.00 73.31 S ATOM 1136 CE MET A 78 19.375 40.655 -44.560 1.00 35.54 C ATOM 0 H MET A 78 20.031 44.268 -40.328 1.00 12.00 H new ATOM 0 HA MET A 78 17.962 42.139 -40.403 1.00 2.03 H new ATOM 0 HB2 MET A 78 19.148 42.357 -42.546 1.00 63.14 H new ATOM 0 HB3 MET A 78 20.690 42.231 -41.722 1.00 63.14 H new ATOM 0 HG2 MET A 78 20.092 39.946 -40.954 1.00 52.15 H new ATOM 0 HG3 MET A 78 18.551 40.072 -41.779 1.00 52.15 H new ATOM 0 HE1 MET A 78 19.439 40.125 -45.510 1.00 35.54 H new ATOM 0 HE2 MET A 78 18.335 40.693 -44.235 1.00 35.54 H new ATOM 0 HE3 MET A 78 19.754 41.669 -44.684 1.00 35.54 H new ATOM 1146 N VAL A 79 18.971 41.130 -38.380 1.00 63.22 N ATOM 1147 CA VAL A 79 19.490 40.648 -37.113 1.00 53.31 C ATOM 1148 C VAL A 79 20.218 39.313 -37.268 1.00 34.33 C ATOM 1149 O VAL A 79 19.608 38.245 -37.353 1.00 23.05 O ATOM 1150 CB VAL A 79 18.377 40.554 -36.036 1.00 51.15 C ATOM 1151 CG1 VAL A 79 17.201 39.714 -36.512 1.00 62.34 C ATOM 1152 CG2 VAL A 79 18.933 40.012 -34.726 1.00 20.14 C ATOM 0 H VAL A 79 18.015 40.839 -38.586 1.00 63.22 H new ATOM 0 HA VAL A 79 20.220 41.382 -36.771 1.00 53.31 H new ATOM 0 HB VAL A 79 18.008 41.565 -35.861 1.00 51.15 H new ATOM 0 HG11 VAL A 79 16.443 39.673 -35.730 1.00 62.34 H new ATOM 0 HG12 VAL A 79 16.773 40.162 -37.408 1.00 62.34 H new ATOM 0 HG13 VAL A 79 17.543 38.704 -36.739 1.00 62.34 H new ATOM 0 HG21 VAL A 79 18.134 39.956 -33.987 1.00 20.14 H new ATOM 0 HG22 VAL A 79 19.346 39.017 -34.890 1.00 20.14 H new ATOM 0 HG23 VAL A 79 19.718 40.675 -34.362 1.00 20.14 H new ATOM 1162 N THR A 80 21.533 39.396 -37.352 1.00 24.24 N ATOM 1163 CA THR A 80 22.380 38.220 -37.318 1.00 43.31 C ATOM 1164 C THR A 80 23.378 38.346 -36.172 1.00 22.22 C ATOM 1165 O THR A 80 23.656 39.453 -35.708 1.00 20.53 O ATOM 1166 CB THR A 80 23.116 38.004 -38.658 1.00 4.42 C ATOM 1167 OG1 THR A 80 23.505 39.265 -39.222 1.00 23.43 O ATOM 1168 CG2 THR A 80 22.237 37.253 -39.648 1.00 23.11 C ATOM 0 H THR A 80 22.041 40.276 -37.445 1.00 24.24 H new ATOM 0 HA THR A 80 21.747 37.347 -37.156 1.00 43.31 H new ATOM 0 HB THR A 80 24.006 37.407 -38.458 1.00 4.42 H new ATOM 0 HG1 THR A 80 23.969 39.798 -38.543 1.00 23.43 H new ATOM 0 HG21 THR A 80 22.779 37.114 -40.583 1.00 23.11 H new ATOM 0 HG22 THR A 80 21.972 36.280 -39.234 1.00 23.11 H new ATOM 0 HG23 THR A 80 21.329 37.826 -39.836 1.00 23.11 H new ATOM 1176 N ASN A 81 23.895 37.227 -35.695 1.00 12.13 N ATOM 1177 CA ASN A 81 24.784 37.242 -34.536 1.00 13.33 C ATOM 1178 C ASN A 81 26.190 37.681 -34.921 1.00 53.52 C ATOM 1179 O ASN A 81 26.824 38.461 -34.210 1.00 72.31 O ATOM 1180 CB ASN A 81 24.840 35.866 -33.862 1.00 31.34 C ATOM 1181 CG ASN A 81 23.491 35.396 -33.341 1.00 23.22 C ATOM 1182 OD1 ASN A 81 22.620 36.332 -32.982 1.00 55.05 O flip ATOM 1183 ND2 ASN A 81 23.234 34.194 -33.256 1.00 51.02 N flip ATOM 0 H ASN A 81 23.719 36.301 -36.085 1.00 12.13 H new ATOM 0 HA ASN A 81 24.375 37.964 -33.829 1.00 13.33 H new ATOM 0 HB2 ASN A 81 25.221 35.135 -34.575 1.00 31.34 H new ATOM 0 HB3 ASN A 81 25.548 35.903 -33.034 1.00 31.34 H new ATOM 0 HD21 ASN A 81 23.928 33.503 -33.541 1.00 51.02 H new ATOM 0 HD22 ASN A 81 22.328 33.890 -32.900 1.00 51.02 H new ATOM 1190 N ASP A 82 26.663 37.195 -36.060 1.00 32.11 N ATOM 1191 CA ASP A 82 28.038 37.442 -36.495 1.00 24.13 C ATOM 1192 C ASP A 82 28.172 38.806 -37.153 1.00 61.51 C ATOM 1193 O ASP A 82 29.267 39.361 -37.239 1.00 75.51 O ATOM 1194 CB ASP A 82 28.495 36.363 -37.480 1.00 23.52 C ATOM 1195 CG ASP A 82 28.492 34.974 -36.880 1.00 72.21 C ATOM 1196 OD1 ASP A 82 27.433 34.314 -36.902 1.00 63.25 O ATOM 1197 OD2 ASP A 82 29.555 34.529 -36.393 1.00 30.43 O1- ATOM 0 H ASP A 82 26.115 36.625 -36.704 1.00 32.11 H new ATOM 0 HA ASP A 82 28.669 37.415 -35.607 1.00 24.13 H new ATOM 0 HB2 ASP A 82 27.843 36.377 -38.353 1.00 23.52 H new ATOM 0 HB3 ASP A 82 29.500 36.600 -37.829 1.00 23.52 H new ATOM 1202 N TYR A 83 27.062 39.341 -37.631 1.00 2.10 N ATOM 1203 CA TYR A 83 27.077 40.621 -38.324 1.00 61.22 C ATOM 1204 C TYR A 83 25.913 41.494 -37.897 1.00 25.13 C ATOM 1205 O TYR A 83 24.783 41.027 -37.777 1.00 35.42 O ATOM 1206 CB TYR A 83 27.031 40.419 -39.843 1.00 22.35 C ATOM 1207 CG TYR A 83 28.346 39.977 -40.435 1.00 63.34 C ATOM 1208 CD1 TYR A 83 28.725 38.642 -40.423 1.00 54.31 C ATOM 1209 CD2 TYR A 83 29.216 40.901 -40.996 1.00 61.31 C ATOM 1210 CE1 TYR A 83 29.935 38.242 -40.950 1.00 54.50 C ATOM 1211 CE2 TYR A 83 30.425 40.509 -41.529 1.00 43.02 C ATOM 1212 CZ TYR A 83 30.781 39.178 -41.502 1.00 0.23 C ATOM 1213 OH TYR A 83 31.992 38.785 -42.025 1.00 35.22 O ATOM 0 H TYR A 83 26.140 38.912 -37.553 1.00 2.10 H new ATOM 0 HA TYR A 83 28.007 41.122 -38.056 1.00 61.22 H new ATOM 0 HB2 TYR A 83 26.268 39.677 -40.079 1.00 22.35 H new ATOM 0 HB3 TYR A 83 26.725 41.352 -40.316 1.00 22.35 H new ATOM 0 HD1 TYR A 83 28.062 37.905 -39.994 1.00 54.31 H new ATOM 0 HD2 TYR A 83 28.941 41.945 -41.015 1.00 61.31 H new ATOM 0 HE1 TYR A 83 30.218 37.200 -40.930 1.00 54.50 H new ATOM 0 HE2 TYR A 83 31.089 41.240 -41.965 1.00 43.02 H new ATOM 0 HH TYR A 83 32.466 39.568 -42.375 1.00 35.22 H new ATOM 1223 N ILE A 84 26.198 42.760 -37.660 1.00 71.04 N ATOM 1224 CA ILE A 84 25.155 43.733 -37.408 1.00 33.43 C ATOM 1225 C ILE A 84 25.008 44.610 -38.642 1.00 24.33 C ATOM 1226 O ILE A 84 25.639 45.663 -38.758 1.00 13.30 O ATOM 1227 CB ILE A 84 25.426 44.619 -36.164 1.00 35.11 C ATOM 1228 CG1 ILE A 84 25.728 43.762 -34.926 1.00 70.51 C ATOM 1229 CG2 ILE A 84 24.237 45.535 -35.892 1.00 63.41 C ATOM 1230 CD1 ILE A 84 27.163 43.284 -34.845 1.00 21.15 C ATOM 0 H ILE A 84 27.145 43.138 -37.637 1.00 71.04 H new ATOM 0 HA ILE A 84 24.237 43.185 -37.197 1.00 33.43 H new ATOM 0 HB ILE A 84 26.303 45.231 -36.375 1.00 35.11 H new ATOM 0 HG12 ILE A 84 25.497 44.340 -34.031 1.00 70.51 H new ATOM 0 HG13 ILE A 84 25.066 42.896 -34.926 1.00 70.51 H new ATOM 0 HG21 ILE A 84 24.444 46.150 -35.016 1.00 63.41 H new ATOM 0 HG22 ILE A 84 24.069 46.179 -36.755 1.00 63.41 H new ATOM 0 HG23 ILE A 84 23.347 44.932 -35.710 1.00 63.41 H new ATOM 0 HD11 ILE A 84 27.297 42.686 -33.944 1.00 21.15 H new ATOM 0 HD12 ILE A 84 27.395 42.678 -35.721 1.00 21.15 H new ATOM 0 HD13 ILE A 84 27.832 44.144 -34.812 1.00 21.15 H new ATOM 1242 N VAL A 85 24.222 44.133 -39.591 1.00 45.21 N ATOM 1243 CA VAL A 85 24.025 44.837 -40.844 1.00 41.00 C ATOM 1244 C VAL A 85 22.822 45.776 -40.746 1.00 52.13 C ATOM 1245 O VAL A 85 21.666 45.346 -40.717 1.00 43.50 O ATOM 1246 CB VAL A 85 23.880 43.842 -42.026 1.00 62.43 C ATOM 1247 CG1 VAL A 85 22.896 42.728 -41.695 1.00 1.04 C ATOM 1248 CG2 VAL A 85 23.466 44.567 -43.294 1.00 64.33 C ATOM 0 H VAL A 85 23.707 43.256 -39.516 1.00 45.21 H new ATOM 0 HA VAL A 85 24.908 45.445 -41.041 1.00 41.00 H new ATOM 0 HB VAL A 85 24.855 43.385 -42.196 1.00 62.43 H new ATOM 0 HG11 VAL A 85 22.817 42.048 -42.543 1.00 1.04 H new ATOM 0 HG12 VAL A 85 23.248 42.179 -40.822 1.00 1.04 H new ATOM 0 HG13 VAL A 85 21.917 43.158 -41.483 1.00 1.04 H new ATOM 0 HG21 VAL A 85 23.371 43.849 -44.109 1.00 64.33 H new ATOM 0 HG22 VAL A 85 22.509 45.063 -43.133 1.00 64.33 H new ATOM 0 HG23 VAL A 85 24.221 45.310 -43.551 1.00 64.33 H new ATOM 1258 N ASP A 86 23.115 47.067 -40.672 1.00 31.13 N ATOM 1259 CA ASP A 86 22.096 48.089 -40.473 1.00 20.21 C ATOM 1260 C ASP A 86 21.948 48.940 -41.728 1.00 24.31 C ATOM 1261 O ASP A 86 22.935 49.458 -42.260 1.00 74.51 O ATOM 1262 CB ASP A 86 22.478 48.962 -39.273 1.00 4.42 C ATOM 1263 CG ASP A 86 21.451 50.030 -38.958 1.00 33.31 C ATOM 1264 OD1 ASP A 86 21.643 51.190 -39.378 1.00 21.44 O ATOM 1265 OD2 ASP A 86 20.461 49.721 -38.263 1.00 45.22 O1- ATOM 0 H ASP A 86 24.063 47.435 -40.748 1.00 31.13 H new ATOM 0 HA ASP A 86 21.138 47.609 -40.274 1.00 20.21 H new ATOM 0 HB2 ASP A 86 22.611 48.326 -38.398 1.00 4.42 H new ATOM 0 HB3 ASP A 86 23.438 49.438 -39.470 1.00 4.42 H new ATOM 1270 N ILE A 87 20.720 49.075 -42.203 1.00 70.13 N ATOM 1271 CA ILE A 87 20.454 49.813 -43.427 1.00 11.31 C ATOM 1272 C ILE A 87 20.055 51.244 -43.106 1.00 5.45 C ATOM 1273 O ILE A 87 18.929 51.496 -42.683 1.00 31.44 O ATOM 1274 CB ILE A 87 19.326 49.160 -44.256 1.00 73.15 C ATOM 1275 CG1 ILE A 87 19.530 47.644 -44.348 1.00 41.53 C ATOM 1276 CG2 ILE A 87 19.279 49.777 -45.651 1.00 33.35 C ATOM 1277 CD1 ILE A 87 18.397 46.915 -45.040 1.00 31.30 C ATOM 0 H ILE A 87 19.890 48.682 -41.758 1.00 70.13 H new ATOM 0 HA ILE A 87 21.373 49.800 -44.013 1.00 11.31 H new ATOM 0 HB ILE A 87 18.375 49.345 -43.756 1.00 73.15 H new ATOM 0 HG12 ILE A 87 20.459 47.444 -44.883 1.00 41.53 H new ATOM 0 HG13 ILE A 87 19.648 47.241 -43.342 1.00 41.53 H new ATOM 0 HG21 ILE A 87 18.481 49.311 -46.228 1.00 33.35 H new ATOM 0 HG22 ILE A 87 19.090 50.847 -45.569 1.00 33.35 H new ATOM 0 HG23 ILE A 87 20.233 49.614 -46.153 1.00 33.35 H new ATOM 0 HD11 ILE A 87 18.614 45.847 -45.066 1.00 31.30 H new ATOM 0 HD12 ILE A 87 17.469 47.083 -44.494 1.00 31.30 H new ATOM 0 HD13 ILE A 87 18.292 47.289 -46.058 1.00 31.30 H new ATOM 1289 N ALA A 88 20.978 52.173 -43.304 1.00 34.53 N ATOM 1290 CA ALA A 88 20.720 53.573 -43.005 1.00 21.21 C ATOM 1291 C ALA A 88 20.111 54.284 -44.205 1.00 23.43 C ATOM 1292 O ALA A 88 20.415 53.960 -45.353 1.00 54.14 O ATOM 1293 CB ALA A 88 22.001 54.271 -42.570 1.00 40.44 C ATOM 0 H ALA A 88 21.911 51.983 -43.670 1.00 34.53 H new ATOM 0 HA ALA A 88 20.003 53.616 -42.185 1.00 21.21 H new ATOM 0 HB1 ALA A 88 21.789 55.317 -42.351 1.00 40.44 H new ATOM 0 HB2 ALA A 88 22.395 53.786 -41.677 1.00 40.44 H new ATOM 0 HB3 ALA A 88 22.738 54.211 -43.371 1.00 40.44 H new ATOM 1299 N ASN A 89 19.244 55.249 -43.933 1.00 52.24 N ATOM 1300 CA ASN A 89 18.612 56.031 -44.983 1.00 21.13 C ATOM 1301 C ASN A 89 18.540 57.488 -44.565 1.00 22.12 C ATOM 1302 O ASN A 89 17.808 57.842 -43.643 1.00 62.21 O ATOM 1303 CB ASN A 89 17.207 55.509 -45.277 1.00 44.43 C ATOM 1304 CG ASN A 89 16.534 56.229 -46.435 1.00 51.24 C ATOM 1305 OD1 ASN A 89 17.313 56.631 -47.431 1.00 34.21 O flip ATOM 1306 ND2 ASN A 89 15.318 56.410 -46.441 1.00 52.10 N flip ATOM 0 H ASN A 89 18.962 55.509 -42.988 1.00 52.24 H new ATOM 0 HA ASN A 89 19.211 55.940 -45.889 1.00 21.13 H new ATOM 0 HB2 ASN A 89 17.261 54.444 -45.501 1.00 44.43 H new ATOM 0 HB3 ASN A 89 16.592 55.616 -44.384 1.00 44.43 H new ATOM 0 HD21 ASN A 89 14.750 56.087 -45.657 1.00 52.10 H new ATOM 0 HD22 ASN A 89 14.877 56.883 -47.230 1.00 52.10 H new ATOM 1313 N ARG A 90 19.324 58.319 -45.225 1.00 34.23 N ATOM 1314 CA ARG A 90 19.343 59.740 -44.938 1.00 61.53 C ATOM 1315 C ARG A 90 19.618 60.514 -46.217 1.00 14.51 C ATOM 1316 O ARG A 90 20.380 60.052 -47.065 1.00 31.12 O ATOM 1317 CB ARG A 90 20.404 60.060 -43.879 1.00 1.00 C ATOM 1318 CG ARG A 90 20.416 61.517 -43.454 1.00 75.44 C ATOM 1319 CD ARG A 90 21.456 61.790 -42.382 1.00 14.21 C ATOM 1320 NE ARG A 90 21.461 63.193 -41.977 1.00 45.22 N ATOM 1321 CZ ARG A 90 22.502 63.809 -41.418 1.00 45.51 C ATOM 1322 NH1 ARG A 90 23.624 63.140 -41.174 1.00 34.45 N1+ ATOM 1323 NH2 ARG A 90 22.415 65.092 -41.097 1.00 21.12 N ATOM 0 H ARG A 90 19.960 58.031 -45.969 1.00 34.23 H new ATOM 0 HA ARG A 90 18.371 60.036 -44.544 1.00 61.53 H new ATOM 0 HB2 ARG A 90 20.231 59.436 -43.002 1.00 1.00 H new ATOM 0 HB3 ARG A 90 21.387 59.796 -44.269 1.00 1.00 H new ATOM 0 HG2 ARG A 90 20.616 62.146 -44.322 1.00 75.44 H new ATOM 0 HG3 ARG A 90 19.430 61.794 -43.081 1.00 75.44 H new ATOM 0 HD2 ARG A 90 21.257 61.162 -41.514 1.00 14.21 H new ATOM 0 HD3 ARG A 90 22.443 61.516 -42.755 1.00 14.21 H new ATOM 0 HE ARG A 90 20.612 63.737 -42.132 1.00 45.22 H new ATOM 0 HH11 ARG A 90 23.691 62.151 -41.415 1.00 34.45 H new ATOM 0 HH12 ARG A 90 24.418 63.615 -40.746 1.00 34.45 H new ATOM 0 HH21 ARG A 90 21.553 65.606 -41.278 1.00 21.12 H new ATOM 0 HH22 ARG A 90 23.210 65.566 -40.669 1.00 21.12 H new ATOM 1337 N ASP A 91 18.944 61.656 -46.371 1.00 14.33 N ATOM 1338 CA ASP A 91 19.139 62.551 -47.520 1.00 71.02 C ATOM 1339 C ASP A 91 18.548 61.930 -48.788 1.00 43.52 C ATOM 1340 O ASP A 91 18.627 62.496 -49.876 1.00 61.51 O ATOM 1341 CB ASP A 91 20.632 62.861 -47.710 1.00 34.34 C ATOM 1342 CG ASP A 91 20.879 64.046 -48.621 1.00 2.00 C ATOM 1343 OD1 ASP A 91 20.897 65.189 -48.119 1.00 21.24 O ATOM 1344 OD2 ASP A 91 21.068 63.847 -49.839 1.00 32.31 O1- ATOM 0 H ASP A 91 18.247 61.989 -45.704 1.00 14.33 H new ATOM 0 HA ASP A 91 18.617 63.488 -47.324 1.00 71.02 H new ATOM 0 HB2 ASP A 91 21.083 63.057 -46.737 1.00 34.34 H new ATOM 0 HB3 ASP A 91 21.130 61.983 -48.122 1.00 34.34 H new ATOM 1349 N GLY A 92 17.931 60.768 -48.629 1.00 75.32 N ATOM 1350 CA GLY A 92 17.405 60.038 -49.765 1.00 62.34 C ATOM 1351 C GLY A 92 18.372 58.969 -50.223 1.00 52.21 C ATOM 1352 O GLY A 92 18.044 58.134 -51.064 1.00 23.30 O ATOM 0 H GLY A 92 17.784 60.315 -47.727 1.00 75.32 H new ATOM 0 HA2 GLY A 92 16.453 59.580 -49.497 1.00 62.34 H new ATOM 0 HA3 GLY A 92 17.207 60.729 -50.585 1.00 62.34 H new ATOM 1356 N GLN A 93 19.567 58.998 -49.652 1.00 55.42 N ATOM 1357 CA GLN A 93 20.600 58.032 -49.973 1.00 43.03 C ATOM 1358 C GLN A 93 20.502 56.824 -49.048 1.00 53.23 C ATOM 1359 O GLN A 93 20.300 56.967 -47.838 1.00 62.41 O ATOM 1360 CB GLN A 93 21.986 58.675 -49.838 1.00 32.14 C ATOM 1361 CG GLN A 93 22.238 59.831 -50.802 1.00 62.32 C ATOM 1362 CD GLN A 93 22.816 59.390 -52.140 1.00 5.43 C ATOM 1363 OE1 GLN A 93 22.510 58.172 -52.561 1.00 25.23 O flip ATOM 1364 NE2 GLN A 93 23.544 60.140 -52.789 1.00 33.20 N flip ATOM 0 H GLN A 93 19.845 59.690 -48.956 1.00 55.42 H new ATOM 0 HA GLN A 93 20.457 57.703 -51.002 1.00 43.03 H new ATOM 0 HB2 GLN A 93 22.109 59.036 -48.817 1.00 32.14 H new ATOM 0 HB3 GLN A 93 22.746 57.910 -49.999 1.00 32.14 H new ATOM 0 HG2 GLN A 93 21.301 60.359 -50.976 1.00 62.32 H new ATOM 0 HG3 GLN A 93 22.922 60.540 -50.336 1.00 62.32 H new ATOM 0 HE21 GLN A 93 23.760 61.072 -52.436 1.00 33.20 H new ATOM 0 HE22 GLN A 93 23.932 59.829 -53.680 1.00 33.20 H new ATOM 1373 N LEU A 94 20.610 55.637 -49.622 1.00 22.14 N ATOM 1374 CA LEU A 94 20.664 54.418 -48.836 1.00 50.31 C ATOM 1375 C LEU A 94 22.113 54.069 -48.545 1.00 43.43 C ATOM 1376 O LEU A 94 22.961 54.090 -49.441 1.00 52.24 O ATOM 1377 CB LEU A 94 19.970 53.253 -49.555 1.00 41.23 C ATOM 1378 CG LEU A 94 18.441 53.198 -49.431 1.00 41.02 C ATOM 1379 CD1 LEU A 94 18.028 53.076 -47.973 1.00 1.43 C ATOM 1380 CD2 LEU A 94 17.789 54.415 -50.070 1.00 42.11 C ATOM 0 H LEU A 94 20.662 55.493 -50.630 1.00 22.14 H new ATOM 0 HA LEU A 94 20.132 54.588 -47.900 1.00 50.31 H new ATOM 0 HB2 LEU A 94 20.227 53.301 -50.613 1.00 41.23 H new ATOM 0 HB3 LEU A 94 20.379 52.319 -49.170 1.00 41.23 H new ATOM 0 HG LEU A 94 18.095 52.314 -49.967 1.00 41.02 H new ATOM 0 HD11 LEU A 94 16.941 53.038 -47.905 1.00 1.43 H new ATOM 0 HD12 LEU A 94 18.450 52.164 -47.550 1.00 1.43 H new ATOM 0 HD13 LEU A 94 18.397 53.938 -47.417 1.00 1.43 H new ATOM 0 HD21 LEU A 94 16.706 54.345 -49.965 1.00 42.11 H new ATOM 0 HD22 LEU A 94 18.144 55.319 -49.576 1.00 42.11 H new ATOM 0 HD23 LEU A 94 18.049 54.454 -51.128 1.00 42.11 H new ATOM 1392 N GLN A 95 22.397 53.780 -47.291 1.00 22.34 N ATOM 1393 CA GLN A 95 23.745 53.457 -46.867 1.00 52.10 C ATOM 1394 C GLN A 95 23.742 52.218 -45.979 1.00 55.53 C ATOM 1395 O GLN A 95 23.287 52.253 -44.838 1.00 20.22 O ATOM 1396 CB GLN A 95 24.366 54.650 -46.141 1.00 54.30 C ATOM 1397 CG GLN A 95 25.670 54.331 -45.431 1.00 4.25 C ATOM 1398 CD GLN A 95 26.316 55.554 -44.811 1.00 5.40 C ATOM 1399 OE1 GLN A 95 26.932 55.471 -43.750 1.00 14.41 O ATOM 1400 NE2 GLN A 95 26.219 56.685 -45.489 1.00 5.31 N ATOM 0 H GLN A 95 21.705 53.762 -46.541 1.00 22.34 H new ATOM 0 HA GLN A 95 24.350 53.238 -47.747 1.00 52.10 H new ATOM 0 HB2 GLN A 95 24.543 55.449 -46.861 1.00 54.30 H new ATOM 0 HB3 GLN A 95 23.651 55.031 -45.412 1.00 54.30 H new ATOM 0 HG2 GLN A 95 25.483 53.591 -44.653 1.00 4.25 H new ATOM 0 HG3 GLN A 95 26.364 53.880 -46.140 1.00 4.25 H new ATOM 0 HE21 GLN A 95 25.698 56.711 -46.366 1.00 5.31 H new ATOM 0 HE22 GLN A 95 26.665 57.531 -45.135 1.00 5.31 H new ATOM 1409 N LEU A 96 24.237 51.124 -46.521 1.00 75.11 N ATOM 1410 CA LEU A 96 24.281 49.867 -45.797 1.00 53.33 C ATOM 1411 C LEU A 96 25.577 49.758 -45.007 1.00 12.32 C ATOM 1412 O LEU A 96 26.653 49.641 -45.585 1.00 51.50 O ATOM 1413 CB LEU A 96 24.164 48.699 -46.777 1.00 11.23 C ATOM 1414 CG LEU A 96 24.063 47.320 -46.131 1.00 54.15 C ATOM 1415 CD1 LEU A 96 22.792 47.216 -45.308 1.00 12.31 C ATOM 1416 CD2 LEU A 96 24.109 46.229 -47.192 1.00 11.35 C ATOM 0 H LEU A 96 24.617 51.079 -47.466 1.00 75.11 H new ATOM 0 HA LEU A 96 23.444 49.833 -45.100 1.00 53.33 H new ATOM 0 HB2 LEU A 96 23.285 48.856 -47.402 1.00 11.23 H new ATOM 0 HB3 LEU A 96 25.031 48.711 -47.438 1.00 11.23 H new ATOM 0 HG LEU A 96 24.916 47.184 -45.466 1.00 54.15 H new ATOM 0 HD11 LEU A 96 22.733 46.227 -44.853 1.00 12.31 H new ATOM 0 HD12 LEU A 96 22.802 47.975 -44.526 1.00 12.31 H new ATOM 0 HD13 LEU A 96 21.927 47.371 -45.953 1.00 12.31 H new ATOM 0 HD21 LEU A 96 24.036 45.253 -46.713 1.00 11.35 H new ATOM 0 HD22 LEU A 96 23.276 46.358 -47.883 1.00 11.35 H new ATOM 0 HD23 LEU A 96 25.049 46.294 -47.741 1.00 11.35 H new ATOM 1428 N ASN A 97 25.481 49.813 -43.688 1.00 24.34 N ATOM 1429 CA ASN A 97 26.658 49.678 -42.843 1.00 24.31 C ATOM 1430 C ASN A 97 26.699 48.307 -42.200 1.00 43.41 C ATOM 1431 O ASN A 97 25.911 48.006 -41.300 1.00 33.42 O ATOM 1432 CB ASN A 97 26.710 50.757 -41.757 1.00 32.34 C ATOM 1433 CG ASN A 97 27.160 52.105 -42.281 1.00 4.11 C ATOM 1434 OD1 ASN A 97 28.358 52.365 -42.407 1.00 11.22 O ATOM 1435 ND2 ASN A 97 26.210 52.984 -42.556 1.00 2.51 N ATOM 0 H ASN A 97 24.606 49.949 -43.181 1.00 24.34 H new ATOM 0 HA ASN A 97 27.529 49.804 -43.487 1.00 24.31 H new ATOM 0 HB2 ASN A 97 25.722 50.860 -41.307 1.00 32.34 H new ATOM 0 HB3 ASN A 97 27.388 50.436 -40.966 1.00 32.34 H new ATOM 0 HD21 ASN A 97 26.458 53.917 -42.886 1.00 2.51 H new ATOM 0 HD22 ASN A 97 25.229 52.729 -42.438 1.00 2.51 H new ATOM 1442 N VAL A 98 27.605 47.474 -42.673 1.00 45.14 N ATOM 1443 CA VAL A 98 27.808 46.163 -42.091 1.00 72.02 C ATOM 1444 C VAL A 98 28.794 46.249 -40.941 1.00 15.31 C ATOM 1445 O VAL A 98 29.990 46.457 -41.142 1.00 42.35 O ATOM 1446 CB VAL A 98 28.309 45.139 -43.130 1.00 44.14 C ATOM 1447 CG1 VAL A 98 28.787 43.865 -42.453 1.00 50.42 C ATOM 1448 CG2 VAL A 98 27.206 44.819 -44.114 1.00 24.02 C ATOM 0 H VAL A 98 28.215 47.684 -43.463 1.00 45.14 H new ATOM 0 HA VAL A 98 26.842 45.818 -41.723 1.00 72.02 H new ATOM 0 HB VAL A 98 29.152 45.579 -43.664 1.00 44.14 H new ATOM 0 HG11 VAL A 98 29.135 43.160 -43.208 1.00 50.42 H new ATOM 0 HG12 VAL A 98 29.605 44.100 -41.772 1.00 50.42 H new ATOM 0 HG13 VAL A 98 27.965 43.420 -41.893 1.00 50.42 H new ATOM 0 HG21 VAL A 98 27.568 44.095 -44.844 1.00 24.02 H new ATOM 0 HG22 VAL A 98 26.353 44.400 -43.581 1.00 24.02 H new ATOM 0 HG23 VAL A 98 26.901 45.731 -44.628 1.00 24.02 H new ATOM 1458 N THR A 99 28.277 46.123 -39.735 1.00 13.53 N ATOM 1459 CA THR A 99 29.107 46.126 -38.554 1.00 63.52 C ATOM 1460 C THR A 99 29.538 44.701 -38.231 1.00 34.14 C ATOM 1461 O THR A 99 28.747 43.891 -37.743 1.00 52.04 O ATOM 1462 CB THR A 99 28.357 46.737 -37.362 1.00 15.12 C ATOM 1463 OG1 THR A 99 27.827 48.021 -37.729 1.00 32.14 O ATOM 1464 CG2 THR A 99 29.269 46.883 -36.150 1.00 64.32 C ATOM 0 H THR A 99 27.280 46.017 -39.550 1.00 13.53 H new ATOM 0 HA THR A 99 29.990 46.736 -38.747 1.00 63.52 H new ATOM 0 HB THR A 99 27.542 46.065 -37.093 1.00 15.12 H new ATOM 0 HG1 THR A 99 27.348 48.407 -36.966 1.00 32.14 H new ATOM 0 HG21 THR A 99 28.708 47.318 -35.323 1.00 64.32 H new ATOM 0 HG22 THR A 99 29.645 45.903 -35.857 1.00 64.32 H new ATOM 0 HG23 THR A 99 30.107 47.533 -36.402 1.00 64.32 H new ATOM 1472 N ASP A 100 30.787 44.404 -38.542 1.00 61.11 N ATOM 1473 CA ASP A 100 31.345 43.072 -38.351 1.00 23.41 C ATOM 1474 C ASP A 100 31.539 42.773 -36.873 1.00 63.40 C ATOM 1475 O ASP A 100 32.164 43.547 -36.151 1.00 62.23 O ATOM 1476 CB ASP A 100 32.677 42.979 -39.087 1.00 14.41 C ATOM 1477 CG ASP A 100 33.380 41.649 -38.919 1.00 53.52 C ATOM 1478 OD1 ASP A 100 34.488 41.641 -38.356 1.00 4.12 O ATOM 1479 OD2 ASP A 100 32.840 40.617 -39.352 1.00 11.31 O1- ATOM 0 H ASP A 100 31.445 45.077 -38.934 1.00 61.11 H new ATOM 0 HA ASP A 100 30.651 42.334 -38.753 1.00 23.41 H new ATOM 0 HB2 ASP A 100 32.507 43.157 -40.149 1.00 14.41 H new ATOM 0 HB3 ASP A 100 33.333 43.773 -38.731 1.00 14.41 H new ATOM 1484 N ARG A 101 31.004 41.650 -36.430 1.00 1.22 N ATOM 1485 CA ARG A 101 31.101 41.261 -35.031 1.00 70.42 C ATOM 1486 C ARG A 101 32.225 40.244 -34.844 1.00 41.44 C ATOM 1487 O ARG A 101 32.470 39.753 -33.743 1.00 3.54 O ATOM 1488 CB ARG A 101 29.762 40.677 -34.562 1.00 70.04 C ATOM 1489 CG ARG A 101 29.658 40.421 -33.063 1.00 12.41 C ATOM 1490 CD ARG A 101 29.576 41.710 -32.257 1.00 13.24 C ATOM 1491 NE ARG A 101 30.853 42.420 -32.202 1.00 14.53 N ATOM 1492 CZ ARG A 101 30.968 43.745 -32.190 1.00 32.32 C ATOM 1493 NH1 ARG A 101 29.880 44.508 -32.235 1.00 20.33 N1+ ATOM 1494 NH2 ARG A 101 32.174 44.303 -32.121 1.00 52.25 N ATOM 0 H ARG A 101 30.497 40.989 -37.018 1.00 1.22 H new ATOM 0 HA ARG A 101 31.331 42.140 -34.429 1.00 70.42 H new ATOM 0 HB2 ARG A 101 28.964 41.359 -34.855 1.00 70.04 H new ATOM 0 HB3 ARG A 101 29.588 39.738 -35.088 1.00 70.04 H new ATOM 0 HG2 ARG A 101 28.776 39.813 -32.862 1.00 12.41 H new ATOM 0 HG3 ARG A 101 30.523 39.845 -32.735 1.00 12.41 H new ATOM 0 HD2 ARG A 101 28.821 42.362 -32.696 1.00 13.24 H new ATOM 0 HD3 ARG A 101 29.248 41.480 -31.243 1.00 13.24 H new ATOM 0 HE ARG A 101 31.708 41.865 -32.171 1.00 14.53 H new ATOM 0 HH11 ARG A 101 28.956 44.077 -32.279 1.00 20.33 H new ATOM 0 HH12 ARG A 101 29.969 45.524 -32.226 1.00 20.33 H new ATOM 0 HH21 ARG A 101 33.006 43.715 -32.078 1.00 52.25 H new ATOM 0 HH22 ARG A 101 32.266 45.319 -32.112 1.00 52.25 H new ATOM 1508 N LYS A 102 32.917 39.934 -35.932 1.00 25.22 N ATOM 1509 CA LYS A 102 33.986 38.949 -35.889 1.00 51.24 C ATOM 1510 C LYS A 102 35.313 39.619 -35.557 1.00 24.03 C ATOM 1511 O LYS A 102 35.975 39.259 -34.585 1.00 61.52 O ATOM 1512 CB LYS A 102 34.091 38.206 -37.226 1.00 63.24 C ATOM 1513 CG LYS A 102 32.750 37.745 -37.785 1.00 64.00 C ATOM 1514 CD LYS A 102 31.920 37.013 -36.745 1.00 42.35 C ATOM 1515 CE LYS A 102 32.625 35.775 -36.221 1.00 32.33 C ATOM 1516 NZ LYS A 102 31.854 35.128 -35.134 1.00 73.14 N1+ ATOM 0 H LYS A 102 32.758 40.349 -36.850 1.00 25.22 H new ATOM 0 HA LYS A 102 33.752 38.226 -35.108 1.00 51.24 H new ATOM 0 HB2 LYS A 102 34.573 38.857 -37.955 1.00 63.24 H new ATOM 0 HB3 LYS A 102 34.738 37.338 -37.098 1.00 63.24 H new ATOM 0 HG2 LYS A 102 32.194 38.608 -38.150 1.00 64.00 H new ATOM 0 HG3 LYS A 102 32.920 37.090 -38.640 1.00 64.00 H new ATOM 0 HD2 LYS A 102 31.704 37.686 -35.915 1.00 42.35 H new ATOM 0 HD3 LYS A 102 30.963 36.727 -37.181 1.00 42.35 H new ATOM 0 HE2 LYS A 102 32.771 35.066 -37.036 1.00 32.33 H new ATOM 0 HE3 LYS A 102 33.615 36.047 -35.854 1.00 32.33 H new ATOM 0 HZ1 LYS A 102 32.473 34.477 -34.610 1.00 73.14 H new ATOM 0 HZ2 LYS A 102 31.489 35.856 -34.486 1.00 73.14 H new ATOM 0 HZ3 LYS A 102 31.058 34.597 -35.542 1.00 73.14 H new ATOM 1530 N THR A 103 35.691 40.589 -36.371 1.00 32.11 N ATOM 1531 CA THR A 103 36.915 41.346 -36.165 1.00 65.25 C ATOM 1532 C THR A 103 36.589 42.807 -35.867 1.00 51.12 C ATOM 1533 O THR A 103 37.302 43.487 -35.126 1.00 72.12 O ATOM 1534 CB THR A 103 37.832 41.265 -37.405 1.00 3.51 C ATOM 1535 OG1 THR A 103 37.139 41.734 -38.573 1.00 71.14 O ATOM 1536 CG2 THR A 103 38.293 39.836 -37.637 1.00 15.44 C ATOM 0 H THR A 103 35.159 40.875 -37.193 1.00 32.11 H new ATOM 0 HA THR A 103 37.439 40.910 -35.314 1.00 65.25 H new ATOM 0 HB THR A 103 38.701 41.897 -37.222 1.00 3.51 H new ATOM 0 HG1 THR A 103 36.199 41.899 -38.351 1.00 71.14 H new ATOM 0 HG21 THR A 103 38.938 39.800 -38.515 1.00 15.44 H new ATOM 0 HG22 THR A 103 38.846 39.486 -36.766 1.00 15.44 H new ATOM 0 HG23 THR A 103 37.426 39.195 -37.797 1.00 15.44 H new ATOM 1544 N GLY A 104 35.493 43.274 -36.445 1.00 65.24 N ATOM 1545 CA GLY A 104 35.048 44.628 -36.221 1.00 42.41 C ATOM 1546 C GLY A 104 35.210 45.496 -37.445 1.00 24.42 C ATOM 1547 O GLY A 104 35.433 46.706 -37.339 1.00 13.23 O ATOM 0 H GLY A 104 34.900 42.730 -37.072 1.00 65.24 H new ATOM 0 HA2 GLY A 104 34.000 44.618 -35.922 1.00 42.41 H new ATOM 0 HA3 GLY A 104 35.612 45.061 -35.395 1.00 42.41 H new ATOM 1551 N GLN A 105 35.116 44.872 -38.610 1.00 51.35 N ATOM 1552 CA GLN A 105 35.079 45.599 -39.870 1.00 72.04 C ATOM 1553 C GLN A 105 33.823 46.464 -39.942 1.00 12.40 C ATOM 1554 O GLN A 105 32.854 46.244 -39.209 1.00 64.30 O ATOM 1555 CB GLN A 105 35.088 44.625 -41.056 1.00 71.44 C ATOM 1556 CG GLN A 105 36.316 43.736 -41.121 1.00 11.23 C ATOM 1557 CD GLN A 105 37.595 44.519 -41.335 1.00 44.43 C ATOM 1558 OE1 GLN A 105 37.594 45.585 -41.953 1.00 42.45 O ATOM 1559 NE2 GLN A 105 38.695 44.000 -40.819 1.00 23.32 N ATOM 0 H GLN A 105 35.064 43.858 -38.709 1.00 51.35 H new ATOM 0 HA GLN A 105 35.964 46.234 -39.921 1.00 72.04 H new ATOM 0 HB2 GLN A 105 34.200 43.995 -41.001 1.00 71.44 H new ATOM 0 HB3 GLN A 105 35.017 45.196 -41.982 1.00 71.44 H new ATOM 0 HG2 GLN A 105 36.395 43.165 -40.196 1.00 11.23 H new ATOM 0 HG3 GLN A 105 36.196 43.016 -41.931 1.00 11.23 H new ATOM 0 HE21 GLN A 105 38.653 43.115 -40.314 1.00 23.32 H new ATOM 0 HE22 GLN A 105 39.586 44.485 -40.925 1.00 23.32 H new ATOM 1568 N THR A 106 33.841 47.450 -40.811 1.00 25.35 N ATOM 1569 CA THR A 106 32.674 48.270 -41.048 1.00 43.25 C ATOM 1570 C THR A 106 32.570 48.576 -42.533 1.00 44.11 C ATOM 1571 O THR A 106 33.110 49.571 -43.021 1.00 33.22 O ATOM 1572 CB THR A 106 32.716 49.576 -40.229 1.00 61.32 C ATOM 1573 OG1 THR A 106 32.959 49.273 -38.845 1.00 1.35 O ATOM 1574 CG2 THR A 106 31.407 50.339 -40.353 1.00 5.13 C ATOM 0 H THR A 106 34.656 47.704 -41.368 1.00 25.35 H new ATOM 0 HA THR A 106 31.793 47.717 -40.723 1.00 43.25 H new ATOM 0 HB THR A 106 33.521 50.198 -40.621 1.00 61.32 H new ATOM 0 HG1 THR A 106 32.987 50.105 -38.328 1.00 1.35 H new ATOM 0 HG21 THR A 106 31.463 51.256 -39.766 1.00 5.13 H new ATOM 0 HG22 THR A 106 31.229 50.588 -41.399 1.00 5.13 H new ATOM 0 HG23 THR A 106 30.589 49.721 -39.983 1.00 5.13 H new ATOM 1582 N SER A 107 31.916 47.679 -43.253 1.00 30.10 N ATOM 1583 CA SER A 107 31.765 47.812 -44.686 1.00 71.15 C ATOM 1584 C SER A 107 30.561 48.689 -44.992 1.00 42.21 C ATOM 1585 O SER A 107 29.425 48.337 -44.668 1.00 53.14 O ATOM 1586 CB SER A 107 31.609 46.429 -45.329 1.00 62.32 C ATOM 1587 OG SER A 107 31.654 46.502 -46.745 1.00 35.01 O ATOM 0 H SER A 107 31.479 46.845 -42.861 1.00 30.10 H new ATOM 0 HA SER A 107 32.655 48.283 -45.103 1.00 71.15 H new ATOM 0 HB2 SER A 107 32.401 45.770 -44.973 1.00 62.32 H new ATOM 0 HB3 SER A 107 30.663 45.987 -45.017 1.00 62.32 H new ATOM 0 HG SER A 107 31.553 45.603 -47.122 1.00 35.01 H new ATOM 1593 N THR A 108 30.818 49.842 -45.580 1.00 61.34 N ATOM 1594 CA THR A 108 29.764 50.782 -45.902 1.00 45.01 C ATOM 1595 C THR A 108 29.420 50.719 -47.385 1.00 51.14 C ATOM 1596 O THR A 108 30.246 51.033 -48.243 1.00 24.12 O ATOM 1597 CB THR A 108 30.171 52.218 -45.524 1.00 51.54 C ATOM 1598 OG1 THR A 108 30.668 52.239 -44.182 1.00 42.23 O ATOM 1599 CG2 THR A 108 28.987 53.164 -45.638 1.00 12.31 C ATOM 0 H THR A 108 31.753 50.150 -45.845 1.00 61.34 H new ATOM 0 HA THR A 108 28.884 50.504 -45.322 1.00 45.01 H new ATOM 0 HB THR A 108 30.948 52.548 -46.213 1.00 51.54 H new ATOM 0 HG1 THR A 108 29.916 52.283 -43.555 1.00 42.23 H new ATOM 0 HG21 THR A 108 29.299 54.172 -45.366 1.00 12.31 H new ATOM 0 HG22 THR A 108 28.618 53.163 -46.664 1.00 12.31 H new ATOM 0 HG23 THR A 108 28.194 52.836 -44.966 1.00 12.31 H new ATOM 1607 N ILE A 109 28.203 50.289 -47.682 1.00 13.34 N ATOM 1608 CA ILE A 109 27.723 50.234 -49.052 1.00 55.11 C ATOM 1609 C ILE A 109 26.722 51.361 -49.294 1.00 14.15 C ATOM 1610 O ILE A 109 25.545 51.253 -48.946 1.00 1.14 O ATOM 1611 CB ILE A 109 27.056 48.872 -49.397 1.00 61.20 C ATOM 1612 CG1 ILE A 109 28.018 47.698 -49.175 1.00 73.01 C ATOM 1613 CG2 ILE A 109 26.573 48.867 -50.840 1.00 4.42 C ATOM 1614 CD1 ILE A 109 28.134 47.253 -47.729 1.00 12.41 C ATOM 0 H ILE A 109 27.527 49.972 -46.987 1.00 13.34 H new ATOM 0 HA ILE A 109 28.592 50.349 -49.700 1.00 55.11 H new ATOM 0 HB ILE A 109 26.205 48.749 -48.727 1.00 61.20 H new ATOM 0 HG12 ILE A 109 27.687 46.853 -49.778 1.00 73.01 H new ATOM 0 HG13 ILE A 109 29.007 47.980 -49.537 1.00 73.01 H new ATOM 0 HG21 ILE A 109 26.109 47.907 -51.065 1.00 4.42 H new ATOM 0 HG22 ILE A 109 25.844 49.665 -50.982 1.00 4.42 H new ATOM 0 HG23 ILE A 109 27.420 49.026 -51.508 1.00 4.42 H new ATOM 0 HD11 ILE A 109 28.833 46.420 -47.660 1.00 12.41 H new ATOM 0 HD12 ILE A 109 28.496 48.082 -47.121 1.00 12.41 H new ATOM 0 HD13 ILE A 109 27.156 46.937 -47.366 1.00 12.41 H new ATOM 1626 N GLN A 110 27.203 52.459 -49.852 1.00 42.43 N ATOM 1627 CA GLN A 110 26.349 53.590 -50.169 1.00 3.53 C ATOM 1628 C GLN A 110 25.867 53.487 -51.609 1.00 10.22 C ATOM 1629 O GLN A 110 26.606 53.035 -52.485 1.00 61.10 O ATOM 1630 CB GLN A 110 27.108 54.904 -49.967 1.00 51.25 C ATOM 1631 CG GLN A 110 27.660 55.074 -48.563 1.00 2.41 C ATOM 1632 CD GLN A 110 28.381 56.392 -48.370 1.00 4.14 C ATOM 1633 OE1 GLN A 110 27.774 57.393 -47.990 1.00 23.33 O ATOM 1634 NE2 GLN A 110 29.680 56.400 -48.623 1.00 32.10 N ATOM 0 H GLN A 110 28.185 52.591 -50.096 1.00 42.43 H new ATOM 0 HA GLN A 110 25.488 53.577 -49.500 1.00 3.53 H new ATOM 0 HB2 GLN A 110 27.930 54.953 -50.681 1.00 51.25 H new ATOM 0 HB3 GLN A 110 26.442 55.737 -50.191 1.00 51.25 H new ATOM 0 HG2 GLN A 110 26.842 55.004 -47.845 1.00 2.41 H new ATOM 0 HG3 GLN A 110 28.346 54.255 -48.346 1.00 2.41 H new ATOM 0 HE21 GLN A 110 30.144 55.547 -48.936 1.00 32.10 H new ATOM 0 HE22 GLN A 110 30.217 57.259 -48.505 1.00 32.10 H new ATOM 1643 N VAL A 111 24.624 53.879 -51.847 1.00 22.34 N ATOM 1644 CA VAL A 111 24.079 53.895 -53.198 1.00 74.24 C ATOM 1645 C VAL A 111 24.766 54.973 -54.030 1.00 21.00 C ATOM 1646 O VAL A 111 24.782 56.146 -53.648 1.00 75.11 O ATOM 1647 CB VAL A 111 22.553 54.129 -53.194 1.00 73.33 C ATOM 1648 CG1 VAL A 111 22.009 54.253 -54.614 1.00 13.23 C ATOM 1649 CG2 VAL A 111 21.851 53.001 -52.452 1.00 44.35 C ATOM 0 H VAL A 111 23.974 54.190 -51.125 1.00 22.34 H new ATOM 0 HA VAL A 111 24.268 52.917 -53.641 1.00 74.24 H new ATOM 0 HB VAL A 111 22.356 55.069 -52.678 1.00 73.33 H new ATOM 0 HG11 VAL A 111 20.932 54.417 -54.578 1.00 13.23 H new ATOM 0 HG12 VAL A 111 22.488 55.094 -55.115 1.00 13.23 H new ATOM 0 HG13 VAL A 111 22.218 53.336 -55.165 1.00 13.23 H new ATOM 0 HG21 VAL A 111 20.775 53.177 -52.456 1.00 44.35 H new ATOM 0 HG22 VAL A 111 22.065 52.053 -52.945 1.00 44.35 H new ATOM 0 HG23 VAL A 111 22.209 52.964 -51.423 1.00 44.35 H new ATOM 1659 N SER A 112 25.333 54.560 -55.158 1.00 13.43 N ATOM 1660 CA SER A 112 26.077 55.458 -56.032 1.00 25.44 C ATOM 1661 C SER A 112 25.202 56.614 -56.513 1.00 41.43 C ATOM 1662 O SER A 112 25.568 57.781 -56.377 1.00 54.32 O ATOM 1663 CB SER A 112 26.616 54.675 -57.228 1.00 73.52 C ATOM 1664 OG SER A 112 27.248 53.475 -56.804 1.00 50.04 O ATOM 0 H SER A 112 25.290 53.597 -55.491 1.00 13.43 H new ATOM 0 HA SER A 112 26.907 55.881 -55.466 1.00 25.44 H new ATOM 0 HB2 SER A 112 25.800 54.439 -57.911 1.00 73.52 H new ATOM 0 HB3 SER A 112 27.327 55.290 -57.780 1.00 73.52 H new ATOM 0 HG SER A 112 27.584 52.989 -57.586 1.00 50.04 H new ATOM 1670 N GLY A 113 24.044 56.283 -57.067 1.00 3.12 N ATOM 1671 CA GLY A 113 23.147 57.306 -57.563 1.00 51.54 C ATOM 1672 C GLY A 113 21.938 56.724 -58.260 1.00 51.43 C ATOM 1673 O GLY A 113 21.991 55.613 -58.789 1.00 53.21 O ATOM 0 H GLY A 113 23.710 55.326 -57.182 1.00 3.12 H new ATOM 0 HA2 GLY A 113 22.818 57.931 -56.733 1.00 51.54 H new ATOM 0 HA3 GLY A 113 23.686 57.953 -58.255 1.00 51.54 H new ATOM 1677 N LEU A 114 20.849 57.473 -58.255 1.00 24.32 N ATOM 1678 CA LEU A 114 19.620 57.049 -58.901 1.00 41.32 C ATOM 1679 C LEU A 114 19.244 58.054 -59.981 1.00 21.34 C ATOM 1680 O LEU A 114 18.602 59.066 -59.699 1.00 34.33 O ATOM 1681 CB LEU A 114 18.493 56.928 -57.871 1.00 64.43 C ATOM 1682 CG LEU A 114 18.802 56.031 -56.671 1.00 3.52 C ATOM 1683 CD1 LEU A 114 17.677 56.106 -55.657 1.00 71.24 C ATOM 1684 CD2 LEU A 114 19.025 54.589 -57.109 1.00 25.04 C ATOM 0 H LEU A 114 20.792 58.387 -57.806 1.00 24.32 H new ATOM 0 HA LEU A 114 19.773 56.071 -59.358 1.00 41.32 H new ATOM 0 HB2 LEU A 114 18.248 57.925 -57.505 1.00 64.43 H new ATOM 0 HB3 LEU A 114 17.604 56.544 -58.372 1.00 64.43 H new ATOM 0 HG LEU A 114 19.721 56.389 -56.206 1.00 3.52 H new ATOM 0 HD11 LEU A 114 17.909 55.463 -54.808 1.00 71.24 H new ATOM 0 HD12 LEU A 114 17.565 57.134 -55.314 1.00 71.24 H new ATOM 0 HD13 LEU A 114 16.747 55.774 -56.120 1.00 71.24 H new ATOM 0 HD21 LEU A 114 19.243 53.973 -56.236 1.00 25.04 H new ATOM 0 HD22 LEU A 114 18.127 54.215 -57.602 1.00 25.04 H new ATOM 0 HD23 LEU A 114 19.865 54.545 -57.803 1.00 25.04 H new ATOM 1696 N GLN A 115 19.676 57.792 -61.206 1.00 45.34 N ATOM 1697 CA GLN A 115 19.510 58.750 -62.294 1.00 40.42 C ATOM 1698 C GLN A 115 18.976 58.083 -63.560 1.00 4.04 C ATOM 1699 O GLN A 115 19.731 57.456 -64.305 1.00 53.53 O ATOM 1700 CB GLN A 115 20.848 59.434 -62.592 1.00 34.14 C ATOM 1701 CG GLN A 115 21.363 60.296 -61.448 1.00 25.34 C ATOM 1702 CD GLN A 115 22.779 60.795 -61.674 1.00 62.34 C ATOM 1703 OE1 GLN A 115 23.751 60.165 -61.251 1.00 30.31 O ATOM 1704 NE2 GLN A 115 22.907 61.921 -62.354 1.00 61.02 N ATOM 0 H GLN A 115 20.144 56.926 -61.473 1.00 45.34 H new ATOM 0 HA GLN A 115 18.778 59.492 -61.975 1.00 40.42 H new ATOM 0 HB2 GLN A 115 21.592 58.672 -62.824 1.00 34.14 H new ATOM 0 HB3 GLN A 115 20.739 60.054 -63.482 1.00 34.14 H new ATOM 0 HG2 GLN A 115 20.699 61.150 -61.316 1.00 25.34 H new ATOM 0 HG3 GLN A 115 21.329 59.721 -60.523 1.00 25.34 H new ATOM 0 HE21 GLN A 115 22.078 62.413 -62.687 1.00 61.02 H new ATOM 0 HE22 GLN A 115 23.835 62.298 -62.546 1.00 61.02 H new ATOM 1713 N ASN A 116 17.671 58.227 -63.787 1.00 43.54 N ATOM 1714 CA ASN A 116 17.007 57.695 -64.981 1.00 10.42 C ATOM 1715 C ASN A 116 15.504 57.923 -64.883 1.00 30.14 C ATOM 1716 O ASN A 116 14.899 57.637 -63.854 1.00 42.14 O ATOM 1717 CB ASN A 116 17.281 56.197 -65.160 1.00 13.45 C ATOM 1718 CG ASN A 116 16.633 55.638 -66.411 1.00 41.32 C ATOM 1719 OD1 ASN A 116 15.499 55.163 -66.380 1.00 22.52 O ATOM 1720 ND2 ASN A 116 17.348 55.697 -67.525 1.00 63.44 N ATOM 0 H ASN A 116 17.042 58.716 -63.149 1.00 43.54 H new ATOM 0 HA ASN A 116 17.410 58.222 -65.846 1.00 10.42 H new ATOM 0 HB2 ASN A 116 18.357 56.030 -65.206 1.00 13.45 H new ATOM 0 HB3 ASN A 116 16.911 55.656 -64.289 1.00 13.45 H new ATOM 0 HD21 ASN A 116 16.961 55.341 -68.399 1.00 63.44 H new ATOM 0 HD22 ASN A 116 18.285 56.099 -67.509 1.00 63.44 H new ATOM 1727 N ASN A 117 14.903 58.448 -65.943 1.00 33.24 N ATOM 1728 CA ASN A 117 13.456 58.657 -65.962 1.00 2.33 C ATOM 1729 C ASN A 117 12.780 57.628 -66.864 1.00 51.41 C ATOM 1730 O ASN A 117 12.104 56.725 -66.375 1.00 1.42 O ATOM 1731 CB ASN A 117 13.099 60.077 -66.423 1.00 61.13 C ATOM 1732 CG ASN A 117 13.525 61.148 -65.430 1.00 30.42 C ATOM 1733 OD1 ASN A 117 13.630 60.895 -64.228 1.00 34.24 O ATOM 1734 ND2 ASN A 117 13.761 62.355 -65.920 1.00 5.04 N ATOM 0 H ASN A 117 15.387 58.735 -66.794 1.00 33.24 H new ATOM 0 HA ASN A 117 13.091 58.532 -64.942 1.00 2.33 H new ATOM 0 HB2 ASN A 117 13.574 60.271 -67.385 1.00 61.13 H new ATOM 0 HB3 ASN A 117 12.022 60.142 -66.580 1.00 61.13 H new ATOM 0 HD21 ASN A 117 14.040 63.113 -65.297 1.00 5.04 H new ATOM 0 HD22 ASN A 117 13.664 62.527 -66.921 1.00 5.04 H new ATOM 1741 N SER A 118 12.971 57.778 -68.177 1.00 14.15 N ATOM 1742 CA SER A 118 12.461 56.828 -69.169 1.00 75.22 C ATOM 1743 C SER A 118 10.933 56.892 -69.305 1.00 42.11 C ATOM 1744 O SER A 118 10.208 57.133 -68.339 1.00 3.43 O ATOM 1745 CB SER A 118 12.916 55.401 -68.828 1.00 22.31 C ATOM 1746 OG SER A 118 12.467 54.465 -69.792 1.00 43.44 O ATOM 0 H SER A 118 13.483 58.561 -68.582 1.00 14.15 H new ATOM 0 HA SER A 118 12.879 57.113 -70.135 1.00 75.22 H new ATOM 0 HB2 SER A 118 14.004 55.370 -68.769 1.00 22.31 H new ATOM 0 HB3 SER A 118 12.536 55.123 -67.845 1.00 22.31 H new ATOM 0 HG SER A 118 12.775 53.568 -69.545 1.00 43.44 H new ATOM 1752 N THR A 119 10.455 56.684 -70.524 1.00 1.13 N ATOM 1753 CA THR A 119 9.027 56.704 -70.815 1.00 11.34 C ATOM 1754 C THR A 119 8.699 55.686 -71.906 1.00 73.20 C ATOM 1755 O THR A 119 9.511 55.459 -72.809 1.00 53.00 O ATOM 1756 CB THR A 119 8.582 58.105 -71.289 1.00 14.15 C ATOM 1757 OG1 THR A 119 9.083 59.109 -70.398 1.00 61.21 O ATOM 1758 CG2 THR A 119 7.065 58.210 -71.362 1.00 31.13 C ATOM 0 H THR A 119 11.043 56.497 -71.336 1.00 1.13 H new ATOM 0 HA THR A 119 8.495 56.451 -69.898 1.00 11.34 H new ATOM 0 HB THR A 119 8.989 58.261 -72.288 1.00 14.15 H new ATOM 0 HG1 THR A 119 8.797 59.994 -70.708 1.00 61.21 H new ATOM 0 HG21 THR A 119 6.785 59.208 -71.699 1.00 31.13 H new ATOM 0 HG22 THR A 119 6.682 57.470 -72.064 1.00 31.13 H new ATOM 0 HG23 THR A 119 6.640 58.028 -70.375 1.00 31.13 H new ATOM 1766 N ASP A 120 7.529 55.060 -71.822 1.00 14.24 N ATOM 1767 CA ASP A 120 7.081 54.161 -72.876 1.00 62.41 C ATOM 1768 C ASP A 120 5.608 54.388 -73.187 1.00 11.22 C ATOM 1769 O ASP A 120 4.793 54.602 -72.290 1.00 34.13 O ATOM 1770 CB ASP A 120 7.317 52.687 -72.504 1.00 21.11 C ATOM 1771 CG ASP A 120 6.255 52.112 -71.581 1.00 5.01 C ATOM 1772 OD1 ASP A 120 6.404 52.240 -70.349 1.00 42.22 O ATOM 1773 OD2 ASP A 120 5.275 51.513 -72.085 1.00 22.14 O1- ATOM 0 H ASP A 120 6.880 55.158 -71.041 1.00 14.24 H new ATOM 0 HA ASP A 120 7.672 54.384 -73.764 1.00 62.41 H new ATOM 0 HB2 ASP A 120 7.353 52.092 -73.417 1.00 21.11 H new ATOM 0 HB3 ASP A 120 8.291 52.594 -72.024 1.00 21.11 H new ATOM 1778 N PHE A 121 5.288 54.388 -74.467 1.00 13.21 N ATOM 1779 CA PHE A 121 3.910 54.391 -74.914 1.00 25.12 C ATOM 1780 C PHE A 121 3.630 53.090 -75.642 1.00 43.12 C ATOM 1781 O PHE A 121 4.508 52.549 -76.313 1.00 24.43 O ATOM 1782 CB PHE A 121 3.620 55.588 -75.821 1.00 11.52 C ATOM 1783 CG PHE A 121 3.610 56.903 -75.097 1.00 23.13 C ATOM 1784 CD1 PHE A 121 2.601 57.202 -74.194 1.00 75.24 C ATOM 1785 CD2 PHE A 121 4.602 57.842 -75.320 1.00 41.35 C ATOM 1786 CE1 PHE A 121 2.582 58.413 -73.530 1.00 60.15 C ATOM 1787 CE2 PHE A 121 4.590 59.054 -74.657 1.00 43.42 C ATOM 1788 CZ PHE A 121 3.578 59.339 -73.761 1.00 30.42 C ATOM 0 H PHE A 121 5.973 54.386 -75.223 1.00 13.21 H new ATOM 0 HA PHE A 121 3.255 54.479 -74.047 1.00 25.12 H new ATOM 0 HB2 PHE A 121 4.369 55.624 -76.612 1.00 11.52 H new ATOM 0 HB3 PHE A 121 2.654 55.441 -76.304 1.00 11.52 H new ATOM 0 HD1 PHE A 121 1.821 56.479 -74.008 1.00 75.24 H new ATOM 0 HD2 PHE A 121 5.395 57.625 -76.021 1.00 41.35 H new ATOM 0 HE1 PHE A 121 1.789 58.634 -72.831 1.00 60.15 H new ATOM 0 HE2 PHE A 121 5.371 59.778 -74.839 1.00 43.42 H new ATOM 0 HZ PHE A 121 3.567 60.286 -73.242 1.00 30.42 H new ATOM 1798 N HIS A 122 2.421 52.578 -75.500 1.00 74.33 N ATOM 1799 CA HIS A 122 2.086 51.279 -76.059 1.00 33.51 C ATOM 1800 C HIS A 122 0.644 51.239 -76.552 1.00 61.51 C ATOM 1801 O HIS A 122 -0.296 51.460 -75.789 1.00 44.21 O ATOM 1802 CB HIS A 122 2.346 50.165 -75.029 1.00 14.54 C ATOM 1803 CG HIS A 122 1.844 50.468 -73.644 1.00 14.41 C ATOM 1804 ND1 HIS A 122 2.641 50.997 -72.644 1.00 72.31 N ATOM 1805 CD2 HIS A 122 0.616 50.312 -73.094 1.00 55.51 C ATOM 1806 CE1 HIS A 122 1.920 51.156 -71.550 1.00 74.34 C ATOM 1807 NE2 HIS A 122 0.692 50.746 -71.797 1.00 72.12 N ATOM 0 H HIS A 122 1.657 53.038 -75.005 1.00 74.33 H new ATOM 0 HA HIS A 122 2.731 51.109 -76.921 1.00 33.51 H new ATOM 0 HB2 HIS A 122 1.876 49.246 -75.380 1.00 14.54 H new ATOM 0 HB3 HIS A 122 3.418 49.976 -74.980 1.00 14.54 H new ATOM 0 HD1 HIS A 122 3.630 51.228 -72.738 1.00 72.31 H new ATOM 0 HD2 HIS A 122 -0.261 49.918 -73.587 1.00 55.51 H new ATOM 0 HE1 HIS A 122 2.276 51.555 -70.611 1.00 74.34 H new ATOM 1816 N HIS A 123 0.491 50.987 -77.842 1.00 41.22 N ATOM 1817 CA HIS A 123 -0.820 50.865 -78.467 1.00 40.20 C ATOM 1818 C HIS A 123 -1.169 49.396 -78.680 1.00 14.21 C ATOM 1819 O HIS A 123 -0.563 48.524 -78.059 1.00 55.44 O ATOM 1820 CB HIS A 123 -0.853 51.615 -79.803 1.00 64.15 C ATOM 1821 CG HIS A 123 -0.851 53.107 -79.664 1.00 33.35 C ATOM 1822 ND1 HIS A 123 -1.959 53.887 -79.919 1.00 51.31 N ATOM 1823 CD2 HIS A 123 0.129 53.965 -79.290 1.00 23.32 C ATOM 1824 CE1 HIS A 123 -1.660 55.154 -79.714 1.00 62.03 C ATOM 1825 NE2 HIS A 123 -0.402 55.228 -79.330 1.00 11.12 N ATOM 0 H HIS A 123 1.271 50.861 -78.487 1.00 41.22 H new ATOM 0 HA HIS A 123 -1.560 51.310 -77.802 1.00 40.20 H new ATOM 0 HB2 HIS A 123 0.009 51.315 -80.398 1.00 64.15 H new ATOM 0 HB3 HIS A 123 -1.743 51.313 -80.356 1.00 64.15 H new ATOM 0 HD2 HIS A 123 1.139 53.703 -79.012 1.00 23.32 H new ATOM 0 HE1 HIS A 123 -2.332 55.990 -79.840 1.00 62.03 H new ATOM 0 HE2 HIS A 123 0.097 56.087 -79.099 1.00 11.12 H new ATOM 1834 N HIS A 124 -2.163 49.152 -79.542 1.00 75.21 N ATOM 1835 CA HIS A 124 -2.649 47.810 -79.899 1.00 61.31 C ATOM 1836 C HIS A 124 -3.085 47.001 -78.672 1.00 45.43 C ATOM 1837 O HIS A 124 -3.144 47.526 -77.559 1.00 72.22 O ATOM 1838 CB HIS A 124 -1.641 47.030 -80.783 1.00 55.11 C ATOM 1839 CG HIS A 124 -0.321 46.668 -80.153 1.00 30.43 C ATOM 1840 ND1 HIS A 124 -0.012 45.805 -79.156 1.00 72.32 N flip ATOM 1841 CD2 HIS A 124 0.879 47.208 -80.566 1.00 11.23 C flip ATOM 1842 CE1 HIS A 124 1.351 45.841 -78.988 1.00 60.11 C flip ATOM 1843 NE2 HIS A 124 1.862 46.694 -79.852 1.00 42.31 N flip ATOM 0 H HIS A 124 -2.665 49.898 -80.023 1.00 75.21 H new ATOM 0 HA HIS A 124 -3.542 47.962 -80.506 1.00 61.31 H new ATOM 0 HB2 HIS A 124 -2.122 46.110 -81.115 1.00 55.11 H new ATOM 0 HB3 HIS A 124 -1.440 47.625 -81.674 1.00 55.11 H new ATOM 0 HD2 HIS A 124 0.996 47.939 -81.353 1.00 11.23 H new ATOM 0 HE1 HIS A 124 1.911 45.265 -78.266 1.00 60.11 H new ATOM 0 HE2 HIS A 124 2.852 46.919 -79.952 1.00 42.31 H new ATOM 1852 N HIS A 125 -3.427 45.730 -78.895 1.00 33.11 N ATOM 1853 CA HIS A 125 -3.971 44.865 -77.844 1.00 42.42 C ATOM 1854 C HIS A 125 -5.296 45.408 -77.321 1.00 12.25 C ATOM 1855 O HIS A 125 -5.501 45.534 -76.113 1.00 65.23 O ATOM 1856 CB HIS A 125 -2.984 44.682 -76.685 1.00 11.44 C ATOM 1857 CG HIS A 125 -1.889 43.705 -76.973 1.00 60.43 C ATOM 1858 ND1 HIS A 125 -1.855 42.630 -77.795 1.00 71.41 N flip ATOM 1859 CD2 HIS A 125 -0.654 43.762 -76.369 1.00 3.32 C flip ATOM 1860 CE1 HIS A 125 -0.611 42.065 -77.674 1.00 54.41 C flip ATOM 1861 NE2 HIS A 125 0.093 42.767 -76.807 1.00 54.24 N flip ATOM 0 H HIS A 125 -3.336 45.273 -79.802 1.00 33.11 H new ATOM 0 HA HIS A 125 -4.143 43.888 -78.295 1.00 42.42 H new ATOM 0 HB2 HIS A 125 -2.542 45.648 -76.441 1.00 11.44 H new ATOM 0 HB3 HIS A 125 -3.531 44.350 -75.803 1.00 11.44 H new ATOM 0 HD2 HIS A 125 -0.345 44.505 -75.649 1.00 3.32 H new ATOM 0 HE1 HIS A 125 -0.265 41.189 -78.202 1.00 54.41 H new ATOM 0 HE2 HIS A 125 1.053 42.573 -76.523 1.00 54.24 H new ATOM 1870 N HIS A 126 -6.199 45.721 -78.237 1.00 22.41 N ATOM 1871 CA HIS A 126 -7.524 46.188 -77.865 1.00 73.13 C ATOM 1872 C HIS A 126 -8.485 45.001 -77.838 1.00 14.44 C ATOM 1873 O HIS A 126 -9.667 45.135 -77.527 1.00 61.23 O ATOM 1874 CB HIS A 126 -8.009 47.269 -78.841 1.00 23.41 C ATOM 1875 CG HIS A 126 -9.255 47.970 -78.391 1.00 43.53 C ATOM 1876 ND1 HIS A 126 -10.408 48.014 -79.139 1.00 63.22 N ATOM 1877 CD2 HIS A 126 -9.523 48.649 -77.254 1.00 54.42 C ATOM 1878 CE1 HIS A 126 -11.332 48.690 -78.479 1.00 42.22 C ATOM 1879 NE2 HIS A 126 -10.820 49.084 -77.329 1.00 15.42 N ATOM 0 H HIS A 126 -6.038 45.660 -79.242 1.00 22.41 H new ATOM 0 HA HIS A 126 -7.486 46.636 -76.872 1.00 73.13 H new ATOM 0 HB2 HIS A 126 -7.217 48.005 -78.977 1.00 23.41 H new ATOM 0 HB3 HIS A 126 -8.190 46.813 -79.814 1.00 23.41 H new ATOM 0 HD2 HIS A 126 -8.839 48.818 -76.435 1.00 54.42 H new ATOM 0 HE1 HIS A 126 -12.337 48.887 -78.823 1.00 42.22 H new ATOM 0 HE2 HIS A 126 -11.309 49.623 -76.614 1.00 15.42 H new ATOM 1888 N HIS A 127 -7.955 43.836 -78.175 1.00 12.35 N ATOM 1889 CA HIS A 127 -8.710 42.598 -78.133 1.00 31.34 C ATOM 1890 C HIS A 127 -7.894 41.537 -77.409 1.00 12.31 C ATOM 1891 O HIS A 127 -8.227 41.211 -76.255 1.00 54.42 O ATOM 1892 CB HIS A 127 -9.067 42.128 -79.551 1.00 12.42 C ATOM 1893 CG HIS A 127 -9.784 40.811 -79.589 1.00 22.42 C ATOM 1894 ND1 HIS A 127 -9.152 39.619 -79.865 1.00 5.05 N ATOM 1895 CD2 HIS A 127 -11.088 40.501 -79.388 1.00 4.12 C ATOM 1896 CE1 HIS A 127 -10.030 38.637 -79.832 1.00 42.13 C ATOM 1897 NE2 HIS A 127 -11.213 39.141 -79.541 1.00 54.43 N ATOM 1898 OXT HIS A 127 -6.904 41.053 -77.989 1.00 0.00 O1- ATOM 0 H HIS A 127 -6.990 43.724 -78.485 1.00 12.35 H new ATOM 0 HA HIS A 127 -9.642 42.767 -77.594 1.00 31.34 H new ATOM 0 HB2 HIS A 127 -9.690 42.884 -80.028 1.00 12.42 H new ATOM 0 HB3 HIS A 127 -8.153 42.051 -80.139 1.00 12.42 H new ATOM 0 HD2 HIS A 127 -11.882 41.194 -79.151 1.00 4.12 H new ATOM 0 HE1 HIS A 127 -9.816 37.594 -80.013 1.00 42.13 H new ATOM 0 HE2 HIS A 127 -12.078 38.609 -79.445 1.00 54.43 H new TER 1907 HIS A 127